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2025
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Subject: Chemistry
,
Working Paper
, Title:

Robotic arms for benchtop hyperpolarization-enhanced NMR experiments

, Authors: Kirill Sheberstov, Erik Van Dyke, Jingyan Xu, Raphael Kircher, Liubov Chuchkova, Yinan Hu, Sulaiman Alvi, Dmitry Budker, Danila Barskiy
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2024-prw8k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of (+)-Hazuntiphylline, (–)-Anhydrohazuntiphyllidine, and (–)-Hazuntiphyllidine

, Authors: Robert-Cristian Raclea, Marius Mewald, Kolby L. White, Mohammad Movassaghi
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-75jk6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Racemic peptide assembly boosts biocatalysis

, Authors: Mari C. Mañas-Torres, Paola Alletto, Simone Adorinni, Attilio Vargiu, Luis Alvarez de Cienfuegos, Silvia Marchesan
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-0vknv
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

, Authors: Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Sheikh, Michael Shirts, Matteo Salvalaglio
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2024-1lm95-v3
 
Subject: Chemistry
,
Working Paper
, Title:

X-ray Spectroscopy Characterization of Electronic Structure and Metal-Metal Bonding in Dicobalt Complexes

, Authors: Arun Asundi, Roel Bienenmann, Daniel Broere, Ritimukta Sarangi
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2024-dmm7x-v2
 
Subject: Chemistry
,
Review
, Title:

Unraveling the Myths and Mysteries of Photon Avalanching Nanoparticles

, Authors: Artiom Skripka, Emory Chan
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2024-70qxn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

BaNiO3 electrocatalysts for oxygen evolution reaction: the role of synthetic methods

, Authors: Daniel Gutiérrez-Martín, Áurea Varela, Almudena Torres-Pardo, María Hernando, Emilio Matesanz, José María González-Calbet, David Portehault, Marina Parras
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2024-n8bj6-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Non-contact ultrasound testing of batteries

, Authors: James Herterich, David Allwright, Daniel Bearup, Sabrina Kombrink, Daniel Herring, Zhixuan Liu, Zipeng Wu, Sam Olesker-Taylor
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/miir-2025-btsjk
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular determinants of solvent nanoseparation by nanoporous carbon materials

, Authors: Sofia Kolin, Moritz Marquardt, Gotthold Fläschner, Stefan Naumann, Kristyna Pluhackova
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-0p0zz
 
Subject: Chemistry
,
Working Paper
, Title:

Probing three-dimensional cyclooctatetraene as nucleobase modification in aptamer selection

, Authors: Greta Charlotte Dahm, Usman Akhtar, Alix Bouvier-Müller, Laura Lim, Fabienne Levi-Acobas, Pierre Nicolas Bizat, Germain Niogret, Julian Tanner, Frédéric Ducongé, Marcel Hollenstein
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-cglxw
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous Control of Crystal Size and Shape in Dense Suspensions via Imaging

, Authors: Daniel Biri, Ashwin Kumar Rajagopalan, Marco Mazzotti
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-ft8mt
 
Subject: Chemistry
,
Working Paper
, Title:

Green beginnings: creating an affordable advanced enquiry-based experimental nanochemistry learning module with catalytically active ‘green’ iron oxide nanoparticles (IONPs)

, Authors: Timothy Schwantes, Dylan Medina, Brittney Morgan, Abhinandan Banerjee
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-d4vtl
 
Subject: Chemistry
,
Working Paper
, Title:

Statistical Analysis of the Dynamic Behavior of Individual Discharges During the Ignition and Continuous Phases of Contact Glow Discharge Electrolysis

, Authors: Lukas Forschner, Jan-Luca Gembus, Lars Schücke, Peter Awakowicz, Andrew R. Gibson, Timo Jacob, Albert Kilian Engstfeld
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-2v2p7
 
Subject: Chemistry
,
Working Paper
, Title:

A framework for general-purpose chemical synthesis in the aerosol phase and its automated implementation in an open hardware platform

, Authors: Jakub Wosik, Chaoyi Zhu, S. Hessam M. Mehr
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-mkmn0
 
Subject: Chemistry
,
Working Paper
, Title:

Isoconversional Methods of Thermal Analysis are Incompatible with Turnbull-Fisher Kinetics: Case Study of Crystallization of Piperine from the Melt

, Authors: Peter Skrdla, Peter Simon
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-jbvlq
 
Subject: Chemistry
,
Working Paper
, Title:

Structure–Property Relationship between Copper Ions and Hot Electron Relaxation in Colloidal Quantum Dots

, Authors: Ayari Yamada, Daichi Eguchi, Tokuhisa Kawawaki, Yuichi Negishi, Naoto Tamai
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-6ngh9
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Barriers, Big Crystallisation Hurdles: Atropisomerism in bRo5 Compounds Explored by Computational and NMR Studies

, Authors: Nikolaos - Angelos Stamos, Benjamin Ries, Regina Schneider, Pavleta Tzvetkova, Florian Montel, Christian Jandl, Ulrike Werthmann
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-rz4q6
 
Subject: Chemistry
,
Working Paper
, Title:

Photorelease Reaction of Alcohol from 1,4-Naphthoquinone-based Photodegradable Molecules

, Authors: Beta Achromi Nurohmah, Motonori Washisaka, Tsuyoshi Kawai, Tsumoru Morimoto
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-0tls5
 
Subject: Chemistry
,
Working Paper
, Title:

Intensification of Heterogeneous Photocatalytic Reactions using Wireless Light Emitters: The Case Study of Nitrobenzene Reduction

, Authors: Hong Thu Duong, Bruno Ortner, Alexander Sutor, Bastien Oliver Burek, Jonathan Bloh
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-lbw1b
 
Subject: Chemistry
,
Working Paper
, Title:

A3A-ligand evolution against anti-hypermutational human metastasis

, Authors: julio coll
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-0tc6t
 
Subject: Chemistry
,
Review
, Title:

A Comprehensive Review and Evaluation of the Hydrogen Separation Performance of Mixed Matrix Membranes

, Authors: Reza Sabouri, Bradley Ladewig, Nicholaus Prasetya
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-3fw6x
 
Subject: Chemistry
,
Working Paper
, Title:

Development of CPA-Catalyzed b-Selective Reductive Amination of Cardenolides for the Synthesis of Hydrolytically Stable Analogs

, Authors: Natasha Perry, Gerold Schmitt-Ulms, Pavel Nagorny
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-6tnwz
 
Subject: Chemistry
,
Working Paper
, Title:

A Multilayer Template Stripping Transfer Printing Method for Engineered Stretchable Electronics

, Authors: Léo Sifringer, Daniel Laguna, Michel Sommer, Janos Vörös
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-pqnlq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding Lusichelins A-E: An In-Depth Look at the Metallophores of Lusitaniella coriacea LEGE 07167 – Structure, Production, and Functionality

, Authors: Maria Lígia Sousa, Leonor Ferreira, Dora Ferreira, Abel M Forero, Raquel Castelo-Branco, Nikoletta Szemerédi, Gabriella Spengler, Jaime Rodríguez, Carlos Jiménez, Pedro N Leão, Vitor Vasconcelos, Mariana Reis
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.26434/chemrxiv-2025-63fgd
 
Subject: Politics and International Relations
,
Presentation
, Title:

Taking the Temperature of Campus Discussion: A Student-Centred Approach to Teaching Through Conflict

, Authors: Dax D'Orazio
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-6pw1h
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Worth a Try? The Electoral Consequences of Symbolic Legislation

, Authors: Nicole Huffman, John Kane, David Stack
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-ds4h5
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Informed Citizens: Teaching Least Biased Sources in an Age of Misinformation

, Authors: Mark Springer
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-5g29w
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Teaching U.S. Politics to Support Multiracial Democracy

, Authors: Janet L. Donavan
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-f5gd0
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Student Career Development Within Core Political Science Courses

, Authors: Joel Clark
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-7mhcl
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Decolonizing Political Science Teaching: Students Matter

, Authors: D.C. Caivano, Nandini Deo
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-h9bzs
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Battling the Covid Hangover: Reconsidering Students’ Relationship to the Academy

, Authors: Katelyn Kelly, Renée Van Vechten
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-t1dmz-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Conceptualizing and Measuring Civic SEL

, Authors: Diana Owen, Donna Phillips
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-f9f5j
 
Subject: Politics and International Relations
,
Working Paper
, Title:

"Rise Up and Vote:" An Exploration of Interview-Based Assessment of Student Views on Voting and Student-Centered Experiential Learning

, Authors: John Davis, Lyndyn Mosser, Laura Newton
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-wxx3m
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Assessing the Efficacy of CUREs in Political Science

, Authors: Jenna Becker Kane
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-sf2n6
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Civil Civic Engagement: Integrating Civic Engagement into the College Curriculum

, Authors: Nadine Gibson, Ann Rotchford
Version undefined posted 03 February 2025
Posted
Feb 03, 2025
10.33774/apsa-2025-lf0k1
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Contained Cartridge for Thin Layer Chromatography Based Quantification of Chemotherapy Concentration in Human Clinical Plasma Samples

, Authors: Stuart Ibsen, Alaric William Taylor, Luis Antonio Serrano González, Christian Siebel, Elena Marangon, Giuseppe Toffoli, Joachim Boos, Stefan Guldin
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-m6dzz
 
Subject: Chemistry
,
Working Paper
, Title:

Development and Assessment of Boron, Cerium, and Silver Ternary-Doped Titanium Dioxide Photocatalysts for the UV-A Degradation of Ciprofloxacin Antibiotic

, Authors: Yash Mishra, Dara Kiran, Hari Mahalingam
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-0z4rr
 
Subject: Chemistry
,
Working Paper
, Title:

Examining the Influence of Graph Representation on Property Prediction of Polymorphic Organic Molecular Crystals

, Authors: Dana O'Connor, Paola Buitrago
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-9xjh5
 
Subject: Chemistry
,
Working Paper
, Title:

Size Dependent Uncatalyzed Sulfite Oxidation in Aqueous Microdroplets

, Authors: Kedong Gong, Sandhya Sethuraman, Zifeng Tang, V. Faye McNeill, Vicki Grassian
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-ww7xd
 
Subject: Chemistry
,
Working Paper
, Title:

Toward Far-red Emitting Chemogenetic Labelling for Live Cell Super-Resolution Microscopy using Fluorescence-Activating and Absorption-Shifting Tag

, Authors: Eszter Kozma, Ágnes Szatmári, Tibor Novák, György Török, Ivana Nikić-Spiegel, Attila Kormos, Gergely B. Cserép, Alexandra Egyed, Ágnes Horváth, Krisztina Németh, Réka Kereszty, Elvira Czvik, Miklós Erdélyi, Péter Kele
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-k7vd4
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding Access to Previously Inaccessible 5-Membered N-Heteroarynes

, Authors: Roman Belli, Jenna Humke, Sanu Pullarat, Erin Plasek, Sallu Kargbo, Courtney Roberts
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2024-p68lm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Battery Electric Long-Haul Trucking in the United States: A Comprehensive Costing and Emissions Analysis

, Authors: Kariana Moreno Sader, Sayandeep Biswas, Rob Jones, Marian Mennig, Reza Rezaei, William H. Green
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2023-48zsc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ruthenium(II) complexes with photoswitchable and photoejectable ligands

, Authors: Kavisha A. Sarma, Isis A. Middleton, Man H. Chak, Jake P. Violi, Mohan Bhadbhade, Jonathon Beves
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-3sffc
 
Subject: Chemistry
,
Working Paper
, Title:

Doubly Stereogenic Sandwich Compounds: Separation and Characterization of Diastereomeric Metallobiscorroles

, Authors: Kristian Torstensen, Florian Sixt, Abraham Alemayehu, Nicholas S. Settineri, Abhik Ghosh
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-2xq3l
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning-driven antiviral libraries targeting respiratory viruses

, Authors: Gabriela Valle-Núñez, Raziel Cedillo-González, Juan F. Avellaneda-Tamayo, Fernanda I. Saldívar González, Diana L. Prado-Romero, José L. Medina-Franco
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-bwdjj
 
Subject: Chemistry
,
Working Paper
, Title:

Product Selectivity in Photochemical CO2 Reduction by a Post-synthetically Modified Zr-MOF

, Authors: Rosmi Reji, Juan P. Vizuet, Xiaoli Yan, Biki Behera, Xin Zheng, Matthew Klenk, Nicholas P. Weingartz, George T. Kostopoulos, Lin X. Chen, Neeraj Agarwal, Peter Zapol, Eliu A. Huerta, Murat Keceli, Ksenija Glusac
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-jjcbv
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the pyrolysis-assisted conversion of metal salt-impregnated biomass into biogas and nanocatalyst-coated porous biochar

, Authors: Mengqi TANG, Alexandre Chevillot-Biraud, Stéphanie Lau-Truong, Ahmed Mohamed Khalil, Mohamed Mehdi Chehimi
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-s2s0r
 
Subject: Chemistry
,
Working Paper
, Title:

Multiple Molecule λ-Dynamics: Probing Drug Resistance with Concurrent Protein and Ligand Perturbations

, Authors: Michael Liesen, Ryan Hayes, Charles Brooks, Jonah Vilseck
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-m0129
 
Subject: Chemistry
,
Working Paper
, Title:

Introducing the potential binding interface between the TRAIL-mimicking peptide and DR5 via alanine scan

, Authors: Nitesh Tripathi, Arnab Chowdhury, Neelam Verma, Anupam Bandyopadhyay
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-x2921
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

PARADOXES OF GRAVITY: Newton's Law Does Not Work at Large Distances, but... it's too early to throw it in the scrapheap.

, Authors: Mykola Kosinov
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.33774/coe-2024-6fr81-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Gridless Approach to Sampling and Classifying High-Dimensional Conformational Landscapes of Active Pharmaceutical Ingredients

, Authors: Alexandre Ferreira, Rui Guo, Ivan Marziano, Matteo Salvalaglio
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-j2n83
 
Subject: Chemistry
,
Review
, Title:

PROPERTIES, EFFECTS AND CHEMICAL & BIOLOGICAL METHOD OF SYNTHESIS OF SILVER NANOPARTICLES

, Authors: VARUN MALI
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-kclgf
 
Subject: Chemistry
,
Working Paper
, Title:

A Generalized Deep Entropy Scaling Architecture Framework to Predict Viscosities

, Authors: Maximilian Fleck, Timo Klenk, Samir Darouich, Marcelle B M Spera, Niels Hansen
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-jrjj9
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated ReaxFF Simulations of Vitrimers with Dynamic Covalent Adaptive Networks

, Authors: Yiwen Zheng, Vikas Varshney, Aniruddh Vashisth
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-5vptv
 
Subject: Chemistry
,
Working Paper
, Title:

Stereoselective Generation and Use of α-Fluorovinyl Radicals via Mesolytic Cleavage of C(sp2)–S Bond of α-Fluorovinyl Sulfoximines

, Authors: Kosuke Yasui, Masayuki Miyaoka, Yuichiro Tomishima, Koji Hirano
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-1kzz4
 
Subject: Chemistry
,
Working Paper
, Title:

Low-entropy Supramolecular Crystals: Elucidating the Inhomogeneity of Interfacial Water Molecules at Atomic Resolution

, Authors: Shinnosuke Horiuchi, Shota Ogura, Kazuya Otsubo, Yuka Ikemoto, Hisao Kiuchi, Go Watanabe, Osamu Takahashi, Mikihiro Hayashi, Eri Sakuda, Yasuhiro Arikawa, Keisuke Umakoshi, Yoshihisa Harada
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-gl0qz
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Dynamics of Molten NaCl–MgCl2–LaCl3: A Proxy for Molten Chloride Fast Reactor Fuels

, Authors: Woei Jer Ng, Aydar Rakhmatullin, Kateryna Goloviznina, Mathieu Salanne, Catherine Bessada
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-q6l1t
 
Subject: Chemistry
,
Working Paper
, Title:

The relevance of amino acid-chromophore interactions in protein conformational changes and their impact on chromophore relaxation dynamics

, Authors: Claudia F. Echavarría, Daniel Kocsi, Mohamed Abdellah, Starla Glover, Sara H Mejias
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-5krws
 
Subject: Chemistry
,
Review
, Title:

Basic Concepts and Tools of Artificial Intelligence in Polymer Science

, Authors: khalid ferji
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-tk6hx
 
Subject: Chemistry
,
Working Paper
, Title:

A model-informed analysis of battery electrodes using non-contact air-coupled ultrasound

, Authors: André Matthew R. Tayamen, Sam Amsterdam, Wesley Chang
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-957c0
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Line Narrowing of Selectively Labeled [9-15N] Guanosine Enables Probing of Large RNAs

, Authors: Solomon Attionu, Rita Dill, Michael Summers, David Case, Jan Marchant, T Kwaku Dayie
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.26434/chemrxiv-2025-hftft
 
Subject: Politics and International Relations
,
Presentation
, Title:

#GlobalJustice?: Social Media, Pedagogy and Activism

, Authors: Madeleine Le Bourdon
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.33774/apsa-2025-00j9g
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Does Civic Education Improve Ethnic Tolerance?

, Authors: Jeremy Siow
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.33774/apsa-2024-8rjlt-v2
 
Subject: Politics and International Relations
,
Presentation
, Title:

Routes into internationalizing and de-colonizing the Curriculum in Political Science 10 years on from EPS symposium: the potential role of feminist pedagogies

, Authors: Rose Gann
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.33774/apsa-2025-2wk5t
 
Subject: Psychiatry
,
Abstract
, Title:

Beyond Cause and Consequence: Addressing the Complexities of Mood Disorders and Circadian Rhythms by Including Lived Experience

, Authors: James Downs
Version undefined posted 04 February 2025
Posted
Feb 04, 2025
10.33774/coe-2025-cdzmb
 
Subject: Chemistry
,
Working Paper
, Title:

Minutes-timescale in situ assembly of DNA origamis with living cells

, Authors: Laura Bourdon, Gerrit David Wilkens, Samy Dehissi, Salammbô Hotte, Sergii Rudiuk, Mathieu Morel, Ayako Yamada, Gaëtan Bellot, Damien Baigl
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-mh3k7
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of Mn-doping effects on the structural, morphological, thermal, and catalytic properties of Co3O 4 spinel nanoparticles towards CO oxidation

, Authors: Daniel Manhouli Daawe, Cedric Karel Fonzeu Monguen, Stephane Kenmoe, Patrick Kouotou Mountapmbeme
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-v6kxz
 
Subject: Chemistry
,
Working Paper
, Title:

ChiralFinder: Automated Detection of Stereogenic Elements and Discrimination of Stereoisomers in Complex Molecules

, Authors: Runhan Shi, Chi Zhang, Gufeng Yu, Xiaohong Huo, Yang Yang
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-wz7kh
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Insights to the Electron Transfer from the Triplet Pair State in Singlet Fission Dimers

, Authors: Sree Chithra, Corentin Pigot, Claire Tonnelé, David Casanova, Victor Gray
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-jw8kc
 
Subject: Chemistry
,
Working Paper
, Title:

Measuring Zn Transference with Precision: Insights for Dendrite-Free Zinc Metal Anodes

, Authors: Dario Gomez Vazquez, Travis P. Pollard, Oleg Borodin, Maria R. Lukatskaya
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-2zrpp
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Arylation of Se vs. S by Gold Compounds: Consequences for GPx Inhibition and A375 Sensitivity

, Authors: Ioannis Kanavos, Douglas Nakahata, Madeleine Barrett, Ancély Ferreira dos Santos, Maria Zubiria-Ulacia, German Pieslinger, Ana Beatriz da Silva Teixeira, Clarissa Rocha, Jonas Eberle, Ryszard Lobinski, Jon Matxain, Matthew Hall, José Pedro Friedmann Angeli, Elias Arnér, Luisa Ronga, Raphael de Paiva
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-h2pz5
 
Subject: Chemistry
,
Working Paper
, Title:

A Collective Variable for the Control of Solvation in Cage Compounds

, Authors: Konstantin Stracke, Babak Farhadi Jahromi, Guido H. Clever, Rochus Schmid
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-r8sgw
 
Subject: Chemistry
,
Working Paper
, Title:

Guanosine-based supramolecular particles for enhanced drug and gene delivery in cell culture

, Authors: Luis M. Negrón, Edwin Vázquez-Rosa, Luxene Belfleur, Tanya L. Díaz, Bismark Madera-Soto, Irving E. Vega, Jose M. Rivera
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-qm64k
 
Subject: Chemistry
,
Working Paper
, Title:

Designing Molecular Qubits: Computational Insights into First-Row and Group 6 Transition Metal Complexes

, Authors: Arturo Sauza-de la Vega, Andrea Darù, Stephanie Nofz, Laura Gagliardi
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-3tg1x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Simplified carbonylation catalyst based on [Co2(CO)8] and coordinating solvents for the carbonylation of β-lactones and α,β-unsaturated acids to cyclic anhydrides

, Authors: Marie-Hélène Pietraru, Antonin Homassel, Emmanuel Nicolas, Thibault Cantat
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2024-07h4m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On the Photosensitizing Properties of Aloe-Emodin in Photodynamic Therapy: Insights from the Molecular Modeling

, Authors: Maciej Spiegel
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-spzw3-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Atomic-Scale Observation of Moiré potential in Twisted Hexagonal Boron Nitride Layers by Electron Microscopy

, Authors: Rina Mishima, Takuro Nagai, Hiroyo Segawa, Masahiro Ehara, Takashi Uchino
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2024-hbbfj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Single atom alloys 2.0: Exploiting undercoordination for stronger dissociative CH4 chemisorption

, Authors: Debtanu Maiti, Michael Harold, Lars Grabow
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2024-vhmz3-v2
 
Subject: Chemistry
,
Review
, Title:

Visible-Light Photocatalysis Using CsPbX3 Perovskite Nanocrystals for Organic Transformations

, Authors: Pravat Nayek, Buddhadeb Pal, Prasenjit Mal
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-vdjb1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Fully-Functionalized Natural Product Probes to Expand the Chemical Tractability of the Human Proteome

, Authors: Christian Chaheine, Louis Conway, Christopher Parker
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-hfmv4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Light-Responsive Metal-Organic Framework with Perchlorinated Nanographene Ligands

, Authors: Xin Zheng, Nikita Gupta, Haiying He, Jasleen K. Bindra, Subharaj Hossain, Juan P. Vizuet, Atefeh Nadeali, Danial Zangeneh, Roushan Prakash Singh, Robert F. Klie, Brian P. Chaplin, Kenneth Brezinsky, Oleg G. Poluektov, Jens Niklas, Peter Zapol, Ksenija D. Glusac
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-pl8s1
 
Subject: Chemistry
,
Working Paper
, Title:

High-yield prebiotic polymerization of 2’,3’-cyclic nucleotides under wet-dry cycling

, Authors: Federico Caimi, Juliette Langlais, Francesco Fontana, Sreekar Wunnava, Tommaso Bellini, Dieter Braun, Tommaso Pietro FRACCIA
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-2p0ln
 
Subject: Chemistry
,
Working Paper
, Title:

Surface charge overrides protein corona formation in determining the cytotoxicity, cellular uptake, and biodistribution of silver nanoparticles

, Authors: Marianna Barbalinardo, Francesca Chiarini, Gabriella Teti, Francesca Paganelli, Elisa Mercadelli, Andrea Bartoletti, Andrea Migliori, Manuela Piazzi, Jessika Bertacchini, Paola Sena, Alessandra Sanson, Mirella Falconi, Carla Palumbo, Massimiliano Cavallini, Denis Gentili
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-lj16r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Size-exclusion chromatography–electrospray-ionization mass spectrometry to characterize end group and chemical distribution of poly(lactide-co-glycolide) co-polymers

, Authors: Masashi Serizawa, Pieter van Delft, Peter J. Schoenmakers, Ron A. H. Peters, Andrea F.G. Gargano
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2024-3c8dz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Testing of particulate photocatalysts for water splitting

, Authors: Nadzeya Brezhneva, Jacob Schneidewind
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-p3gkp
 
Subject: Chemistry
,
Working Paper
, Title:

Photoluminescent rare-earth qubits embedded in a metal−organic framework as candidates for optical quantum memories

, Authors: Xiya Du, Lei Sun
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-zwlnt
 
Subject: Chemistry
,
Working Paper
, Title:

Optimized monomer-based synthesis of poly-N-amino peptides

, Authors: Avraz Anwar, Juan Del Valle
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-ctvjv
 
Subject: Chemistry
,
Review
, Title:

Intactness of Synthetic vs. Natural Polymeric Micelles in Physiological Conditions: A Comparative Review

, Authors: Onur K. Polat, Hurriyet Polat, Merve C. Eren, Mehmet Polat, Nuket Zeybek, Kyle M. Koss
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-pjbfg
 
Subject: Chemistry
,
Working Paper
, Title:

Dearomative C2–Borylation of Indoles

, Authors: Ayesha Begum, Manjur Oyasim Akram, Caleb Martin
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-l0ptc
 
Subject: Chemistry
,
Working Paper
, Title:

The Effect of Monolayers on Atomic-scale Friction in Aprotic Electrolytes: Underpotential Deposition (UPD) of Silver on I-modified Au(111)

, Authors: Inhee Park, Florian Hausen, Helmut Baltruschat
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-dz1fs
 
Subject: Chemistry
,
Working Paper
, Title:

Chromatographic Dynamic Chemisorption: An Alternative to Conventional Estimation of Metallic Dispersion

, Authors: Atharva S. Burte, Abeer O. Abouthman, Shreya Thakkar, Nicholas Capra, Joshua Gopeesingh, Omar A. Abdelrahman
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-4610b
 
Subject: Chemistry
,
Working Paper
, Title:

Designing reversible photoswitching azobenzene modified nucleotide for controlling biological function

, Authors: Juncheng Li, Jinxi Du, Weiwei He, Ibrahim Adelakun, Miao Zhong, Savia Boyer, Ya Ying Zheng, Qishan Lin, Serdal Kirmizialtin, Jia Sheng, Ting Wang
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-vxgll
 
Subject: Chemistry
,
Working Paper
, Title:

Multicolor Digital Light Processing 3D Printing Enables Dissolvable Supports for Freestanding and Non-Assembly Structures

, Authors: Keldy Mason, Ji-Won Kim, Elizabeth Recker, Jenna Nymick, Mingyu Shi, Franz Stolpen, Jaechul Ju, Zachariah Page
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-m4ml8
 
Subject: Chemistry
,
Working Paper
, Title:

Label-Free Detection of Virus-Membrane Interactions Using Surface-Enhanced Infrared Absorption (SEIRA) Spectroscopy

, Authors: Amelie Teresa Heinen, Saskia Heermant, Daniel Christian Lauster, Stephan Block, Jacek Kozuch
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-xhrdt
 
Subject: Chemistry
,
Working Paper
, Title:

[5]Cumulene Bridged Tri(9-anthryl)methyl Dimer

, Authors: Tomohiko Nishiuchi, Shino Takeuchi, Takashi Kubo
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-g8q8d
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting the Ionic Conductivity and Obtaining Mechanistic Insights of Plasticized Solid Polymer Electrolytes Using a Data-Driven Approach

, Authors: Zhen-Nan Shen, Wenda Bao, Zhengzheng Dang, He Li, Rongliang Shang, Mengyu Hu, Yanming Wang, Jin Xie, Bo Qiao
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-mtmkb
 
Subject: Chemistry
,
Review
, Title:

Post-synthetic breaking of inversion symmetry in metal complex-based host–guest systems

, Authors: Yuxin Shi, Yuudai Iwai, Benjamin Le Ouay, Masaaki Ohba, Ryo Ohtani
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-r7qsq
 
Subject: Chemistry
,
Working Paper
, Title:

Alloy Reorganization and Dynamics in Group-10-metal-Gallium Nanoparticles under Reactive Atmospheres: Impact on Local Environment and Reactivity.

, Authors: Quentin Pessemesse, Alexandre Perochon, Christophe Copéret, Marie-Eve L. Perrin, Pierre-Adrien Payard
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2024-lthtv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pyrrolic FeN4 models for FeNC catalysts: the influence of planarity on electronic properties and Mössbauer parameters

, Authors: Niklas von Rhein, Jian Liang Low, Charlotte Gallenkamp, Beate Paulus, Vera Krewald
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-9hstm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Selectively 13C/2H/15N-Labelled Arginine to Probe Protein Conformation and Interaction by NMR Spectroscopy

, Authors: Darja Rohden, Giorgia Toscano, Paul Schanda, Roman Lichtenecker
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-dxwrr
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic analysis of Group 4 Metal Oxide Nanocrystal synthesis in the presence of phosphine oxide ligands

, Authors: Carlotta Seno, Christopher B Whitehead, David E Salazar Marcano, Ian Chaon, Jonathan De Roo
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-kst2w
 
Subject: Chemistry
,
Working Paper
, Title:

Vibronic Trimer Design Enhancing Intramolecular Triplet-Exciton Hopping to Accelerate Triplet-Triplet Annihilation for Photon Upconversion

, Authors: Yasuhiro Kobori, Kousuke Higashi, Tsubasa Okamoto, Nanami Iwaya, Eri Sakuda, Christopher Kay, Tadaaki Ikoma
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-fkfwh
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding Hairpin Structure Stability in Lin28-mediated Repression

, Authors: Qiang Zhu, Limu Hu, Chang Cui, Min Zang, Hao Dong, Jing Ma
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-vrxkw
 
Subject: Chemistry
,
Working Paper
, Title:

A Zirconium-based Metal–Organic Framework as an Effective Green Catalyst for the Synthesis of Biodiesel

, Authors: Michelle P. Duarte, Clara V. Diniz, Hudson A. Bicalho, Rafik Naccache, Ashlee J. Howarth
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-f37vv
 
Subject: Chemistry
,
Working Paper
, Title:

IR-Bot: an autonomous robotic system for real-time chemical mixture analysis via infrared spectroscopy and machine learning

, Authors: Xiaoyu Yue, Tao Song, Jiaqi Cao, Xiaolong Zhang, Shuo Feng, Weiwei Shang, Jun Jiang, Linjiang Chen
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-8xp04
 
Subject: Chemistry
,
Working Paper
, Title:

Refinement and Truncation of DNA Aptamers based on Molecular Dynamics Simulations: Computational Protocol and Experimental Validation

, Authors: Ana Díaz-Fernández, Camen S. Ciudad, Natalia Díaz, Dimas Suárez, Noemí de-los-Santos-Álvarez, M. Jesús Lobo-Castañón
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-k5mzk
 
Subject: Chemistry
,
Working Paper
, Title:

Specificity and Stereoselectivity of Cryptic Sulfotransferases

, Authors: Sabina Maurer, Monica McCallum
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-gkxn3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Ring-Opening Polymerization of Lactones Derived from the Cotelomerization of Isoprene, Butadiene, and CO2

, Authors: Ryan Anderson, Takuya Akiyama, Ian Tonks
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.26434/chemrxiv-2025-zgm2v
 
Subject: Economics
,
Working Paper
, Title:

Municipality Synthetic Gini Index for Colombia: A Machine Learning Approach

, Authors: John Michael Riveros-Gavilanes
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.33774/coe-2025-qg1m2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Teaching Political Economy: Multi- and Interdisciplinary Approaches

, Authors: Richard T. Ashcroft
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.33774/apsa-2025-5pqqf
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Teaching the Political Science-Political Theory Divide: Insights from Course Design for Research Tutorials

, Authors: Daniel T. Roberts
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.33774/apsa-2025-qm2ps
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Collaborative Online International Learning (COIL) at a Community College

, Authors: Helen Chang
Version undefined posted 05 February 2025
Posted
Feb 05, 2025
10.33774/apsa-2025-05ml5
 
Subject: Chemistry
,
Working Paper
, Title:

A Fast and Accurate Semi-Analytical Solution for Lumped Models of Co-Current Moving Bed Reactors

, Authors: Sávio Bertoli, Jesús Apolinar-Hernández, Carolina Krebs de Souza, Marcel Jeferson Gonçalves, Cíntia Soares, Natan Padoin
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2024-t30tv-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of amodiachins, a novel class of 4-aminoquinoline antimalarials active against multi-drug resistant Plasmodium falciparum.

, Authors: Mason J Handford, Yuexin Li, Terry Riscoe, Katherine Liebman, Michael K Riscoe
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2023-lnkrm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Co-Design of Cyanobacteria Mutant Strains and Processes for Phosphorus Recovery from Livestock Wastewater

, Authors: Theodore A. Chavkin, Leonardo D. Gonzalez, Brenda Cansino-Loeza, Rebecca Larson, Brian F. Pfleger, Victor M. Zavala
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-3n9sd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Generation of Hyperdiverse Chemical Libraries

, Authors: John S. Albin, Gha Young Lee, Corey Johnson, Dimuthu Ashcharya Vithanage, Wayne Vuong, Bradley L. Pentelute
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2024-60bwl-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Geometry optimization of novel Ga-HBED complex isomers: insights into inorganic synthesis

, Authors: JOSEMAR CUEVA BENAVIDES
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-h36b6
 
Subject: Chemistry
,
Working Paper
, Title:

Nuclear Coupled Electronic States Analyses Expose Nuclear Quantum Effects in Nucleobase Pairs

, Authors: Kohei Motoki, Hirotoshi Mori
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-81k3n
 
Subject: Chemistry
,
Working Paper
, Title:

Atomic-Scale Insights into Nanoparticle Exsolution from Dislocation- Engineered Host Oxides

, Authors: Moritz L. Weber, Moritz Kindelmann, Dylan Jennings, Jan Hoelschke, Regina Dittmann, Joachim Mayer, Wolfgang Rheinheimer, Xufei Fang, Felix Gunkel
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-5s63g
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Automated Workflow for Radical Reaction Networks in Environmental Disinfectants: A Peroxyacetic Acid Case Study with Machine Learning Interatomic Potentials

, Authors: Fulin Shao, Weiying Li
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-sz3pn
 
Subject: Chemistry
,
Working Paper
, Title:

Human Serum Albumin Loaded with Fatty Acids Reveals Complex Protein-Ligand Thermodynamics and Boleadora-Type Solution Dynamics Leading to Gelation

, Authors: Dariush Hinderberger, Jörg Reichenwallner, Sebastian Michler, Christian Schwieger
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-7fhz2
 
Subject: Chemistry
,
Working Paper
, Title:

Multiscale and multimodal image fusion. Coping with differences in scanned area and spatial resolution for Raman/fluorescence images of labelled cells.

, Authors: Albert Sicre Conesa, Maria Marsal, Adrián Gómez-Sánchez, Pablo Loza-Álvarez, Anna de Juan
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-gr8r6
 
Subject: Chemistry
,
Working Paper
, Title:

Photoreactors Manufactured from 3D-Printed (Photo-) Catalytic Materials

, Authors: Fabian Guba, Jana Timm, Hong Thu Duong, Aneta Pashkova, Jonathan Zacharias Bloh, Roland Marschall, Dirk Ziegenbalg
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-t1x54
 
Subject: Chemistry
,
Working Paper
, Title:

NMR- and EPR spectroscopic characterization of S4N4 and (SN)x dissolved in [EMIm][OAc]

, Authors: Julian Radicke, Vanessa Jerschabek, Haleh Hashemi Haeri, Muhammad Abu-Bakar, Dariush Hinderberger, Jörg Kreßler, Karsten Busse
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-3bx69
 
Subject: Chemistry
,
Working Paper
, Title:

Light Enhanced Water Dissociation in Bipolar Membranes

, Authors: Patrick Giesbrecht, Matt Margeson, Mita Dasog, Michael Freund
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-c3l3k
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical structure-dependence of the thermal transition in thermoresponsive ethylene-glycol-containing polymers as characterized by EPR spectroscopy

, Authors: Haleh Hashemi Haeri, Andreas H. Kampe, Zhanna Evgrafova, Johnny Siegert, Wolfgang H Binder, Dariush Hinderberger
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-8m980
 
Subject: Chemistry
,
Working Paper
, Title:

Platinum-Modified Cantor Alloys as High-Entropy Electrocatalysts for Oxygen Reduction Reaction

, Authors: Wiljar Lobjakas, Christian Møgelberg Clausen, Jaak Nerut, Jan Rossmeisl
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-slt2b
 
Subject: Chemistry
,
Working Paper
, Title:

In situ Methanation on Mars: A Process Concept Study on the Impact of H2/CO2 and Recycle Ratio

, Authors: Franz Braun, Thomas-Oliver Nagel, Samuel Prinz, Jens Friedland, Robert Güttel
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-67f82
 
Subject: Chemistry
,
Working Paper
, Title:

Characterizing the effective contact angle for solvent and packing surface interaction in a packed column for CO2 capture

, Authors: Jennifer Yao, Dushyant Barpaga, Rajesh Singh, Yucheng Fu, Charles Freeman, Richard Zheng, Zhijie Xu
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-m79bx
 
Subject: Chemistry
,
Working Paper
, Title:

Stereogenesis in Organic Addition Reactions: Cram’s Steric Control vs Charge-Transfer Control. A Natural Bond Orbital Analysis

, Authors: Andrzej Cieplak
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-r004t
 
Subject: Chemistry
,
Working Paper
, Title:

Modular, Three-Component and Concurrent One-Pot Libraries of γ-Keto Sulfones and γ-Keto Phosphine Oxides. Brønsted Acidic Eutectic Mixtures Are the Answer

, Authors: Marina Ramos-Martín, Joaquín García-Álvarez, Alejandro Presa Soto
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-fqj23
 
Subject: Chemistry
,
Working Paper
, Title:

Carbamate Directed peri-C–H Alkynylation: Application to the Synthesis of Zethrenes

, Authors: Xiaoqing Shao, Jordi Benet-Buchholz, Antonio Echavarren
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-30hr4
 
Subject: Chemistry
,
Working Paper
, Title:

Smart Surface Engineering in Microcarriers: Towards Applications in Cancer Therapy

, Authors: Fatemeh Rajabasadi, Silvia Moreno, Mercedes Gonzalez Rico, Pedro Viñola, Kristin Fichna, Franziska Hebenstreit, Susanne Boye, Andreas Janke, Dietmar Appelhans, Mariana Medina Sanchez
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-2x123
 
Subject: Chemistry
,
Working Paper
, Title:

Going nuclear: Improved antisense oligonucleotide activity through conjugation with a nuclear importer

, Authors: Disha Kashyap, Thomas Milne, Michael Booth
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2024-p6q7p-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Coordination Number Dependence of Cysteine Binding to Nanostructured Gold

, Authors: Aishat Idris, Clayton Smith, Chao-Ming (Elvis) Ting, Irina Paci
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-j3nsp
 
Subject: Chemistry
,
Working Paper
, Title:

SONIC: A Speed of Sound Measurement for Nanobubble Characterization

, Authors: Jeas Grejoy Andrews, Sunaina Sunaina, Tatek Temesgen Terfasa, Peter Kusalik, Kelly Rees, Yihao Wang, W. Russ Algar, Susana Y. Kimura
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-1h1kq
 
Subject: Chemistry
,
Working Paper
, Title:

Fragment libraries from large synthetic compounds and natural products: A comparative chemoinformatic analysis

, Authors: Verónica Ramírez-Cid, Ana L. Chávez-Hernández, Osvaldo Sánchez López, Raul Marques Novais, Temitayo Omowumi Alegbejo Price, Kamilla Moraes Alves, Wemenes J. Lima Silva, Flavio da Silva Emery, Carolina Horta Andrade, José L. Medina-Franco
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.26434/chemrxiv-2025-8x50r
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Need for a Best Practices Guide for Political Science Internships

, Authors: Gloria Cox
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.33774/apsa-2025-34f17
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Teaching Genocide in the Twenty-First Century: A Comparative-Historical Approach

, Authors: Leah Merrill, Liza Williams
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.33774/apsa-2025-9dm16
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Narratives of Divide: The Polarizing Power of Large Language Models in a Turbulent World

, Authors: Khalid Saqr
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.33774/apsa-2025-0kqqv
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Indigenizing the Curriculum in the Classroom: A Modest ‘How to’ Blueprint

, Authors: Spyridon Kotsovilis
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.33774/apsa-2025-9h2n3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Integrating Generative AI and digital tools to Augment Student Creativity and productivity: A Case Study

, Authors: Leena Thacker Kumar, Christina Hughes, Clayton Cleveland
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.33774/apsa-2025-nc5tx
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Capstone: Merging Experiential Learning, Research, And 21st Century Pedagogy

, Authors: Pearl Matibe
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.33774/apsa-2025-xfd5g
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Cyclone Civics: A Civic Literacy and Engagement Initiative at Iowa State University

, Authors: Kelly Shaw, Karen Kedrowski
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.33774/apsa-2025-w4030
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Teaching Polarization and Populism through Active Learning

, Authors: Yujin Julia Jung
Version undefined posted 06 February 2025
Posted
Feb 06, 2025
10.33774/apsa-2025-zmv5z
 
Subject: Chemistry
,
Working Paper
, Title:

Single-Molecule Quantification of RNA Degradation with Nanopore Sensing

, Authors: Mohammed Alawami, Max Earle, Ulrich Keyser, Casey Platnich
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-th9vf
 
Subject: Chemistry
,
Working Paper
, Title:

Power Series Representation of Reaction Rates in Chemical Kinetics and Its Physical Interpretation

, Authors: Jia Qiu
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-hxbm5
 
Subject: Chemistry
,
Working Paper
, Title:

Ion-Pair Hydrogen Atom Transfer Catalysis Enables Cr-Catalyzed Allylation of Ketones Using Hydrocarbon Alkenes

, Authors: Suguru Arii, Zonghan Yu, Hongyu Chen, Harunobu Mitsunuma, Motomu Kanai
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-h938v
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed Gas-Free Reductive Carbonylation of Aryl Thianthrenium Salts to Access Aryl Amides and Aryl Thioesters

, Authors: Chen Chen, Lu-Yao Ding, Xiao-Xu Zhang, Guan-shen Chen, Yan-Ping Zhu, Chunjie Ni, Bolin Zhu
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-9bh5d
 
Subject: Chemistry
,
Working Paper
, Title:

Directing an Elusive Photoredox [4+2] Cycloaddition Reaction in Water by Altering the Shape of Nano-confinement

, Authors: Kishan K. Yadav, Ritaj Tyagi, Vamsee K. Voora, Jyotishman Dasgupta
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-sffb5
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric Ring Contraction of 2-Hydroxypyranones by Borrowing Hydrogen Biocatalysis

, Authors: Yuchang Liu, J. D. Rolfes, Jan Deska
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-9hpvb
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing Charge Accumulation Mechanisms in Organic Materials via Slow Transient Emission Spectroscopy

, Authors: Ryoko Oyama, Kaede Kawaguchi, Liliia Moshniaha, Yemineni S. L. V. Narayana, Dominik Madea, Kirill Mitrofanov, Harley Suchiang, Amal Jose, Ryota Kabe
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-fd2hp
 
Subject: Chemistry
,
Working Paper
, Title:

Hierarchical Transfer Learning: An Agile and Equitable Strategy for Machine-Learning Interatomic Models

, Authors: Rebecca Lindsey, Awwal Oladipupo, Sorin Bastea, Bradley Steele, I-Feng William Kuo, Nir Goldman
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2024-523v8-v2
 
Subject: Life Sciences
,
Working Paper
, Title:

Simulating Resistance Genes and Growth Dynamics in Antibiotic-Exposed Bacterial Populations

, Authors: Raisa Shafique, Sushant Shekhar
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.33774/coe-2025-n3sc1
 
Subject: Chemistry
,
Working Paper
, Title:

The Optimal Arm Length for Star Polymer Electrolytes

, Authors: Feichen Cui, Zhi-Kun Xie, Jixin Wu, Yue Zhang, Zhengyang Zhang, Jun Fu, Rongliang Shang, Yifu Ruan, Gengxin Liu, Yanming Wang, Jin Xie, Jiajun Yan, Bo Qiao
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-qx1h3
 
Subject: Chemistry
,
Working Paper
, Title:

Assigning the Stereochemistry of Natural Products by Machine Learning

, Authors: Markus Orsi, Jean-Louis Reymond
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2024-zz9pw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cobalt-Catalyzed Enantioselective and Diasterodivergent Con-struction of Distal Chiral C-N Diaxes

, Authors: Abir Das, Subramani Kumaran, Pritam Maity, J. Richard Premkumar, basker sundararaju
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-gknb0
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient denoising of mass spectrometry images by PCA-assisted self-supervised deep learning

, Authors: Claire Seydoux, Matthew Bryan, Jean-Paul Barnes, Pierre-Henri Jouneau
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-wcm8l
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoconfined Photopolymerization in Self-Assembled Glycerol Monooleate, Hydroxyethyl Acrylate and Water Suprastructures

, Authors: Meron Debas, Dinh Phuong Trinh Nguyen, Andreas F. M. Kilbinger, Artur G. Glavic, Heinz Amenitsch, Stefan Salentinig
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-bh7sc
 
Subject: Chemistry
,
Review
, Title:

Recent Advances in Machine Learning and Coarse-Grained Potentials for Biomolecular Simulations and Their Applications

, Authors: Adolfo B. Poma, Alejandra Hinostroza Caldas, Luis Cofas-Vargas, Michael Jones, Andrew L. Ferguson, Leonardo Medrano Sandonas
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-vxjlk
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical functionalization of a unique 2D material – Computational prediction for cyclooctyne on the biphenylene network

, Authors: Hendrik Weiske, Ralf Tonner-Zech
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-cqhf1
 
Subject: Chemistry
,
Working Paper
, Title:

Composite hydrogels of phenylalanine dipeptides with trivalent metal cations

, Authors: Vanessa Jerschabek, Chife Fidelis, Melissa Kemesies, Jonas Volmer, Haleh Hashemi-Haeri, Dariush Hinderberger
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-fwqng
 
Subject: Chemistry
,
Working Paper
, Title:

Numerical calculations of electric response properties using the bubbles and cube framework

, Authors: Eelis Solala, Wen-Hua Xu, Pauli Parkkinen, Dage Sundholm
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-0dkqf
 
Subject: Chemistry
,
Working Paper
, Title:

Revisiting Boron Cluster Dihydrogen Bonding: Improved Reference Energies and Benchmark of Localized Coupled Cluster and DFT Methods

, Authors: Golokesh Santra
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-sxgk7
 
Subject: Chemistry
,
Working Paper
, Title:

NMR reaction monitoring robust to spectral distortions

, Authors: Barbara Domżał, Magdalena Grochowska-Tatarczak, Przemysław Malinowski, Błażej Miasojedow, Krzysztof Kazimierczuk, Anna Gambin
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-pjzl3
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular polymerization through rotation of light-driven molecular motors

, Authors: Philippe Schiel, Mounir Maaloum, Emilie Moulin, Irina Nyrkova, Alexander Semenov, Damien Dattler, Lou-Ann Accou, Anastasia Christoulaki, Eric Buhler, Rémi Plamont, Jean-Marie Lehn, Nicolas Giuseppone
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2024-qbd2q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A p-type Cu2O Photoanode for Solar Water Oxidation

, Authors: Sanghyun Bae, Thomas Moehl, David Yong, Peng Zeng, David Tilley
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-jspmr
 
Subject: Chemistry
,
Working Paper
, Title:

NMR structure of chromeraxanthin - a unique allenic carotenoid of the apicomplexan alga Chromera velia

, Authors: Zoltan Takacs, Pavel Hrouzek, Jan Hájek, Kumar Saurav, Jan Pilny, Ulrika Brath, Roman Sobotka
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-5b5vd
 
Subject: Chemistry
,
Working Paper
, Title:

Fragmentation of deprotonated plumeran indole alkaloids by electrospray ionization tandem mass spectrometry

, Authors: Yan Robles, Ricardo Vessecchi, Ivo Vieira, Raimundo Braz-Filho, Antônio Crotti
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-n8s5s
 
Subject: Chemistry
,
Working Paper
, Title:

Single-Shot Synthesis of Neuroprotective Hi1a by Automated Fast-Flow Peptide Synthesis

, Authors: Stephen A. Byrne, Elee Shimshoni, Giulio Fittolani, Charlotte E. Farquhar, Andrei Loas, Daniel G. Anderson, Bradley L. Pentelute
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-sg9hv
 
Subject: Chemistry
,
Working Paper
, Title:

Metal nano clusters on TiO2: catalytic activity in CH4 coupling

, Authors: Vidya Kaipanchery, Dorota Rutkowska-Zbik
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-mkjvl
 
Subject: Chemistry
,
Working Paper
, Title:

Magnesium-Mediated Electrochemical Synthesis of Ammonia

, Authors: Ishita Goyal, Vamsi V. Gande, Rajan R. Bhawnani, Rebecca Hamlyn, Ahmed A. Farghaly, Meenesh R. Singh
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-0r764
 
Subject: Chemistry
,
Working Paper
, Title:

Photosynthetic Reaction Center: A Nonergodic, Dynamically Anisotropic, and Nonlinear Charge-Transport Engine

, Authors: Mohammad Mehdi Pirnia, Dmitry Matyushov
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-2nj2g
 
Subject: Chemistry
,
Working Paper
, Title:

Cu-Controlled Enantiodivergent Pd-Catalyzed Stille Cross-Coupling Reactions

, Authors: Glenn Ralph, Asha Reghuvaran Santha, Nana Agyemang, Xinghua Ma, Daniel Zuschlag, Benjamin Murray, Mark Biscoe
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-mj57m
 
Subject: Chemistry
,
Working Paper
, Title:

All-Solution-Processed Mid-Infrared Electrochromics (ASPIRE) for Thermoregulation with Arbitrary Curvatures

, Authors: Pei-Jan Hung, Qizhang Li, Ting-Hsuan Chen, Ching-Tai Fu, Yu Han, Ronghui Wu, Gangbin Yan, Qingsong Fan, Jiadong Liu, Pin-Ruei Huang, Yuanke Chen, Chenxi Sui, Genesis Higueros, Alex Flores, Fengyuan Shi, Po-Chun Hsu
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-g97zs
 
Subject: Chemistry
,
Working Paper
, Title:

Entropy-based Regularized Regression for Advanced Distribution of Relaxation Times Deconvolution

, Authors: Baptiste Py, Zilong Wang, Yuhao Wang, Francesco Ciucci
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-n6d9n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the Depths: Experimental and Simulated Insights into Nanoscale AFM-IR Imaging of Complex Heterogeneous Structures

, Authors: Yide Zhang, Ufuk Yilmaz, Artem S. Vorobev, Simone Iadanza, Liam O’Faolain, Bernhard Lendl, Georg Ramer
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-slt6r
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Pore Limiting Diameter in Metal-Organic Frameworks Using Only Metal-Linker Building Blocks

, Authors: Mohamad Koohi-Moghadam, Ahmad Mohammadi, Hongyan Li, Hongzhe Sun
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.26434/chemrxiv-2025-wd5jw
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Is UN Security Council Reform Possible? A Problem-Based Learning Simulation

, Authors: Zachary Houser
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.33774/apsa-2025-cvr78
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Deliberation is for Judgment: Preparing Students for the Actually Existing Public Sphere

, Authors: Zach Richer
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.33774/apsa-2025-72qbc
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Infusing the Political Science Curriculum with Considerations of Power and Identity

, Authors: Matthew Harrigan, Naomi Levy
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.33774/apsa-2025-mjsd2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

To Brief or Not to Brief: Using the Same Simulation for Different Learning Goals

, Authors: Colin Brown, Jennifer Ostojski
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.33774/apsa-2025-kv8kr
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Public Policy and the Political Participation of Individuals with Neurodevelopmental Disorders: Examining Legislative Frameworks and Civic Engagement Across Different Countries

, Authors: Maria Tolika, Athanasios Tsirikas
Version undefined posted 07 February 2025
Posted
Feb 07, 2025
10.33774/apsa-2025-khzc8
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Debate as a Tool for Enhancing Critical Thinking and Civic Skills

, Authors: Leslie Caughell, Kellie Holzer
Version undefined posted 08 February 2025
Posted
Feb 08, 2025
10.33774/apsa-2025-3q0k6
 
Subject: Management
,
Working Paper
, Title:

Review of Leaders Eat Last: Why Some Teams Pull Together and Others Don’t

, Authors: Mehdi Ebrahimi
Version undefined posted 08 February 2025
Posted
Feb 08, 2025
10.33774/coe-2025-5q6mh
 
Subject: Anthropology
,
Working Paper
, Title:

Sadri Language: at the Munda Community the Largest tribe of Indian Subcontinent

, Authors: Md Shaiful Huda
Version undefined posted 08 February 2025
Posted
Feb 08, 2025
10.33774/coe-2025-93w0g
 
Subject: Chemistry
,
Working Paper
, Title:

Setting the Bases of the Photogenotoxicity of p-Aminobenzoic Acid

, Authors: Julia Arnanz, Antonio Monari, Inés Corral, Juan J. Nogueira
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-zql2w
 
Subject: Chemistry
,
Working Paper
, Title:

Direct activation of C(sp3)−H bonds by carbon dots photoredox catalysts

, Authors: Dingxi Li, Xianhao Chi, Keping Zhai, Mingwei Hui, Meifang Zhu, Di Chen, Yuyong Ma, Le Wang
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-h1wv1
 
Subject: Chemistry
,
Working Paper
, Title:

Aryl Thiocyanate as an Organic ‘CN’ Source: Circular Chemical Economy Approach to Access Thiocyano-Thioesters from Cyclic Thioacetals

, Authors: Mousumi Behera, Shubham Shukla, Pankaj D. Dharpure, Dr. Ramakrishna G. Bhat
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-p2cbf
 
Subject: Chemistry
,
Working Paper
, Title:

Unusual Directionality in Thioamide Hydrogen Bonds Can Stabilize β-Strands

, Authors: Haoliang Zheng, Robert W Newberry
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-nb231-v2
 
Subject: Chemistry
,
Working Paper
, Title:

MBX v1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations

, Authors: Shreya Gupta, Ethan F. Bull-Vulpe, Henry Agnew, Shishir Iyer, Xuanyu Zhu, Ruihan Zhou, Christopher Knight, Francesco Paesani
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-6bj22-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Coupled-Trajectory Surface Hopping with Sign Consistency

, Authors: Rixin Xie, Zhecun Shi, Linjun Wang
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-9dzv5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Driven Discovery of Highly Selective Antifungal Peptides Containing Non-Canonical β-Amino Acids

, Authors: Douglas Chang, Joshua Richardson, Myung-Ryul Lee, David Lynn, Sean Palecek, Reid Van Lehn
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-gnpvz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Auger-excited Photoluminescence from Gold Nanoflowers

, Authors: Wouter Koopman, Jan Kutschera, Felix Stete, Matias Bargheer
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-fc23q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Gate-tailoring with protons and metal cations in a flexible zeolite for high-efficiency ethylene/ethane separation

, Authors: Xiaohe Wang, Libo Li, Nana Yan, Lei Wang, Reisel Millán, Puxu Liu, Yueying Chu, Wei Gao, Jun Xu, Yida Zhou, Juping Xu, Wen Yin, Bao Yuan, Zhenduo Wu, Avelino Corma, Shutao Xu, Zhongmin Liu, Wenfu Yan, Peng Guo, Jinping Li, Mercedes Boronat, Jihong Yu
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-kt9ml
 
Subject: Chemistry
,
Working Paper
, Title:

Different Reactions Define the Electrochemical Window in Imidazolium Ionic Liquids on Gold and Platinum Electrodes

, Authors: Frederik J. Stender, Marcel Risch
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-6628v
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Phosphorylation of Phenols and Benzenediols by the Kinase PsiK and Variants Thereof

, Authors: Ahram Kim, Nicolás M. Morato, Prabir Saha, Pascal Eyimegwu, Aqeel A. Niyaz, Rui Huang, R. Graham Cooks, Ryan M. Phelan, Jared Lewis
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-765rs
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery and SAR Exploration of Novel Nanomolar 3,4-dihydroquinazolin-2(1H)-one Non-Nucleoside Reverse Transcriptase Inhibitors

, Authors: Eline Goffin, Laurynn Torfs, David Švestka, Kristien Erven, Kris Uyttersprot, Cindy Heens, Simon Wilms, Jef Rozenski, Eveline Lescrinier, Christophe Pannecouque, Peter Verwilst
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-8l8jw
 
Subject: Chemistry
,
Working Paper
, Title:

Modelling of formic acid production using solventless trialkylamine reduction strategies

, Authors: Anouk de Leeuw den Bouter, Adeline Miquelot, Larissa Brito, Pierre Olivier, John van der Schaaf
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-l4g7c
 
Subject: Chemistry
,
Working Paper
, Title:

Genetically Encoded 3-Aminotyrosine as Catalytic Residue in a Designer Friedel-Crafts Alkylase

, Authors: Bart Brouwer, Franco Della-Felice, Andy-Mark Thunnissen, Gerard Roelfes
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-4jxdt
 
Subject: Chemistry
,
Working Paper
, Title:

Structure and Dynamics of CO2 at the Air-Water Interface from Classical and Neural Network Potentials

, Authors: Nitesh Kumar, Vyacheslav Bryantsev
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-w5npj
 
Subject: Chemistry
,
Working Paper
, Title:

Programmable Strategies for the Conversion of Aldehydes to Unsymmetrical (Deuterated) Diarylmethanes and Diarylketones

, Authors: Vipin Gavit, Nicole Hanania, Nadim Eghbarieh, Israa Shioukhi, Ahmad Masarwa
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-d9zv4
 
Subject: Chemistry
,
Working Paper
, Title:

Probability Guided Chemical Reaction Scopes

, Authors: Inbal Lorena Eshel, Barkai Shahar, Sergio Barranco, Mónica Pérez-Temprano, Anat Milo
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-z0djf
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Quantum Computing for Metal Cluster Analysis

, Authors: Nia Pollard, A'Laura Hines, Andre Clayborne
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-r43l4
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Timestep on Energy Drift and Accuracy of Alchemical Free Energy Calculations

, Authors: Saikat Pal, Omid Jahanmahin, Shi Zhang, Tai-Sung Lee
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-jwkz1
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Modeling of Novel Anti-HpaA Protein Antibodies Targeting Helicobacter pylori in Gastric Cancer

, Authors: Rishi Naga Jasti, Gaurav Sharma
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-9ls1s
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Quantifying the impact of the food we eat on species extinctions

, Authors: Thomas Ball, Michael Dales, Alison Eyres, Jonathan Green, Anil Madhavapeddy, David Williams, Andrew Balmford
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.33774/coe-2024-fl5fk-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Geometric Mean Cosmology Predicts the CMB Temperature Now and in Past Epochs

, Authors: Espen Haug
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.33774/coe-2025-1dlls
 
Subject: Mathematics
,
Working Paper
, Title:

A rigorous proof of the Riemann hypothesis

, Authors: Yukitaka Abe
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.33774/coe-2022-d3nj5-v18
 
Subject: Mathematics
,
Working Paper
, Title:

Collatz Sequence Proof (2nd Way)

, Authors: Taha Muhammad
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.33774/coe-2024-f4j0z-v6
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

New Quantum-Corrected Black Hole Solutions from Loop Quantum Gravity and Their Canonical Ensemble Analysis

, Authors: WEN-XIANG CHEN
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.33774/coe-2025-mhv97
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Deep Transitions

, Authors: Jack Davies, Johan Schot
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.33774/coe-2025-sxjrk
 
Subject: Chemistry
,
Working Paper
, Title:

Organozinc reagents in solution: insights from ab initio molecular dynamics and X-ray absorption spectroscopy

, Authors: Jordan RIO, Quentin PESSEMESSE, Michele CASCELLA, Pierre-Adrien PAYARD, Marie-Eve L. PERRIN
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-0xd0x-v4
 
Subject: Chemistry
,
Working Paper
, Title:

De novo designed β-hairpin peptides mimicking the LPMO copper-binding histidine brace motif

, Authors: Enrico Falcone, Rosemary Tomey, Emma Turley, David Cannella, David Robinson, Luisa Ciano
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-6mxw9-v2
 
Subject: Chemistry
,
Review
, Title:

Method and theory of genome profiling (GP) developed for identification and classification of organisms

, Authors: Koichi Nishigaki
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-n9q36-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Excited-State Aromatization Drives Non-Equilibrium Planarization Dynamics

, Authors: Yusuke Yoneda, Tomoaki Konishi, Kensuke Suga, Shohei Saito, Hikaru Kuramochi
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-2pc7l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Universal Oxygen Scavenger for Oxidase-based Biosensors

, Authors: Huijie Zhang, Mohamed Saadeldin, Darren Buesen, Hamzah Elfaitory, Jakob Burger, Vincent Friebe, Jonas Honacker, Tobias Voepel, Alaa Oughli, Nicolas Plumeré
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2024-trlwf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Endohedral Coordination of Bulky Substrates in Metalloenzyme-like Organometallic Nanotubes

, Authors: Thomas Pickl, Patrick Mollik, Markus R. Anneser, Florian Sixt, Korbinian Geißer, Oksana Storcheva, Dominik Halter, Alexander Pöthig
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-rsgrl-v2
 
Subject: Management
,
Presentation
, Title:

SWOT Analysis for 2025 Success

, Authors: Mehdi Ebrahimi
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.33774/coe-2025-h44tr
 
Subject: Chemistry
,
Working Paper
, Title:

Perovskite Catalysts for Pure-Water-Fed Anion-Exchange-Membrane Electrolyzer Anodes: Co-Design of Electrically Conductive Nanoparticle Cores and Active Surfaces

, Authors: Tingting Zhai, Hao Wang, Sarah Beaudoin, Ran Zhang, Minkyoung Kwak, Shujin Hou, Zhengxiao Guo, Shannon Boettcher
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-b7prh
 
Subject: Chemistry
,
Working Paper
, Title:

Obtaining (BN)4C10 with excellent optoelectronic properties by screening boron-nitrogen analogues of cyclo[18]carbon, (BN)nC(18-2n) (n = 1–9)

, Authors: Xiaohui Chen, Zhibo Xie, Jiaojiao Wang, Wenwen Zhao, Xiufen Yan, Zeyu Liu, Cai Ning, Tian Lu
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-drwgp
 
Subject: Chemistry
,
Working Paper
, Title:

Isotropically conducting tetraaryl osmium(IV), silane, and methane molecular wire junctions

, Authors: Luana Zagami, Cynthia Avedian, Mukund Sharma, Andrew Fraire, Clarissa Olivar, Daniel Hernangómez-Pérez, Michael Inkpen
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-cjj3v
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning the electric dipole transitions (5D0 → 7F2, and 5D0 → 7F4) in thin Eu-doped BiOCl nanosheets

, Authors: Dinesh Singh, Pankaj Poddar
Version undefined posted 10 February 2025
Posted
Feb 10, 2025
10.26434/chemrxiv-2025-8q8jd
 
Subject: Chemistry
,
Working Paper
, Title:

NiFe on CeO2, TiO2 and ZrO2 Supports as Efficient Oxygen Evolution Reaction Catalysts in Alkaline Media

, Authors: Neethu Kochukunnel Varghese, Elina Mkrtchian, Anshika Singh, Letizia Savio, Massimiliano Boccia, Vincenza Marzocchi, Antonio Comite
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2024-hsldj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing Cation-π Force Fields for Molecular Dynamics Studies of Competitive Solvation in Conjugated Organosulfur Polymers for Lithium-Sulfur Batteries

, Authors: Diptesh Gayen, Yannik Schütze, Sebastien Groh, Joachim Dzubiella
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-n7s1r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic electronic structure fluctuations in the de novo peptide ACC-dimer revealed by first-principles theory and machine learning

, Authors: Peter Mastracco, Luke Nambi Mohanam, Giacomo Nagaro, Sangram Prusty, Younghoon Oh, Ruqian Wu, Qiang Cui, Allon Hochbaum, Stacy Copp, Sahar Sharifzadeh
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2024-66dnq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

First Principles Assessment of Solvent Induced Cage Effects on Intramolecular Hydrogen Transfer in the Free Radical Polymerization of Acrylates

, Authors: Francesco Serse, Matteo Salvalaglio, Matteo Pelucchi
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2024-53jpl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Photo Labeling of Tryptophan with N-acetyl-L-Tryptophan Ethyl Ester and Peptide WWCNDGR

, Authors: Daniel Falvey, Edward Chinn, Yue Li, Abigail Joyce
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-96k9j
 
Subject: Chemistry
,
Review
, Title:

Microphase Separation Technique Mediated SiCN Ceramics: A Method for Mesostructuring of Polymer Derived SiCN Ceramics

, Authors: Saravana K T Pillai
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-jg6c9
 
Subject: Chemistry
,
Working Paper
, Title:

Enabling accurate and large-scale explicitly correlated CCSD(T) computations via a reduced-cost and parallel implementation

, Authors: Bence Ladóczki, László Gyevi-Nagy, Péter R. Nagy, Mihály Kállay
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-t3z9k
 
Subject: Chemistry
,
Working Paper
, Title:

Modifying polyelectrolyte charge density and surface coverage for enhanced polyelectrolyte-surfactant lubrication of biomimetic interfaces

, Authors: Erik Weiand, Francisco Rodriguez-Ropero, Stefano Angioletti-Uberti, Daniele Dini, James P. Ewen
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-rdgd5
 
Subject: Chemistry
,
Working Paper
, Title:

1 The Electrochemistry of Sodiumdodecylsulfonate on Au(111) in sulfuric acid – Voltammetry, Adsorbate structure and Friction

, Authors: Andreas Koellisch‐Mirbach, Inhee Park, Helmut Baltruschat
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-c4gmj
 
Subject: Chemistry
,
Working Paper
, Title:

Drug Repurposing by Virtual Screening: identification of new already approved ROCK inhibitors as promising drugs to target neurodegeneration

, Authors: Lucas Franco, Daniel Rodrigues, Gabriela Baumart, Flavia Gomes, Lídia Lima, Carlos Alberto Fraga, Pedro Pinheiro
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-340h4
 
Subject: Chemistry
,
Working Paper
, Title:

Access to enantioenriched atropisomers through biocatalytic deracemization

, Authors: Casey Roos, S. Luke Schulert, Lara Zetzsche, Spencer McMinn, Angela Cheong, Eunjae Shim, Eugene Kwan, Alison Narayan
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-6s0hk
 
Subject: Chemistry
,
Working Paper
, Title:

Real-time Atomic Oxygen Detection Using Transition Metal Oxide Coated Hydrogen-Terminated Diamond Surface

, Authors: Asaf Bolker, Irina Gouzman, Moshe Tordjman, Nurit Atar, Brian E. Riggs, Yakov Carmiel, Ronen Verker, Eitan Grossman, Rafi Kalish, Timothy K. Minton
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-qh9rh
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric Electrochemical Alkenylation by Synergistic Chiral Primary Amine and Naphthalene Catalysis

, Authors: Yingdong Duan, Jianyuan Chen, Liang Cheng, Sanzhong Luo
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-z4hsr
 
Subject: Chemistry
,
Review
, Title:

Dynamics and Resilience for Design of Sustainable Processes, Industrial Networks and Supply Chains: Review and Perspective

, Authors: Abhimanyu Shekhar, William Farlessyost, Shweta Singh
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-bzv25
 
Subject: Chemistry
,
Working Paper
, Title:

Genie in a Bottle – Formation and Reactivity of an Elusive Monomeric Mn(IV)-Oxo Species Inside a Cavitand Pore

, Authors: Galon Green, Kamal Uddin Ansari, Thejasree Munikrishna, Sagi Ezov, Donia Shamali, Orit Cohen, Daphna Shimon, Yuri Tulchinsky
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-133gp
 
Subject: Chemistry
,
Working Paper
, Title:

Silica-based purification and desalting of fucoidan

, Authors: Mikkel Schultz-Johansen, Jaagni Parnami, Inga Hellige, Jan-Hendrik Hehemann
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-fc6bq
 
Subject: Chemistry
,
Working Paper
, Title:

Fabricating the self-supported superstructure of bismuth nanoparticles by tuning the temperature

, Authors: Dinesh Singh, Pankaj Poddar
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-d0snr
 
Subject: Chemistry
,
Working Paper
, Title:

PyDescriptorC*: A Descriptor Calculation Tool for Decoding Chirality Cliffs and Revealing Hidden Patterns in Drug Discovery

, Authors: Vijay Masand, Gaurav Masand, Sami A. Al-Hussain, Rahul Jawarkar, Vesna Rastija, Magdi E.A. Zaki
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-w3k4n
 
Subject: Chemistry
,
Working Paper
, Title:

Microalgae as source for SLA 3D printing resin

, Authors: Sabrina Fonzo, Antigoni Bougatsia, Alfredo de la Peña Gonzales, Iulian Boboescu, Carl Safi, Lambertus Antonius Maria van den Broek, Herman de Beukelaer, Aldrik H Velders, vittorio saggiomo
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-vwxfq
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Carbonate Reduction on Sn Oxide Surface

, Authors: Jun Wang, Lijuan Chen, Lan Huang, Tengfei Chen, Juqin Zeng, Wenbo Ju
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-jcdht
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond HAT: Harnessing TBADT for photocatalyzed C(sp3)-C(sp3) Bond Formation through Reductive SET

, Authors: MAURIZIO FAGNONI, Matteo Leone, Dalila Arnaldi
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-n0dx2
 
Subject: Chemistry
,
Working Paper
, Title:

Au(III)-Catalyzed Domino Cyclization / Functionalization Reactions: an Efficient Entry to Heterocycles

, Authors: Antoine Versini, Quentin Arias, Jonathan Boyer, Sandra Olivero, Etienne Brachet, Philippe Belmont, Véronique Michelet
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-z5cjr
 
Subject: Chemistry
,
Working Paper
, Title:

Personalized Medicine: A Quality by Design Approach to Printable Tablet Production

, Authors: Thomas P Forbes, Olivia Agolini, Zainab Altamimi, Jeffrey Lawrence
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-l6gk4
 
Subject: Chemistry
,
Working Paper
, Title:

Direct, asymmetric, and stereodivergent reactions of N-azidoacetyl thioimides with aromatic acetals catalyzed by chiral nickel(II) complexes. A new approach to the synthesis of syn- and anti-β-alkoxy-α-amino acids

, Authors: Miguel Mellado-Hidalgo, Joan Conejos-Jalencas, Saúl F. Teloxa, Andrea Suárez-Herrera, Luke McCall, Anna Maria Costa, Pedro Romea Garcia, Fèlix Urpí, Gabriel Aullón, Cristina Puigjaner
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-55sz5
 
Subject: Chemistry
,
Working Paper
, Title:

Pseudo-4-Component Photoredox-catalyzed Alkylative Amidination / Carbamoylation of Styrenes with Isocyanides and Redox-Active Esters

, Authors: Alexandre Simon, Virgile Rouffeteau, Camilla Acconcia, Sylvestre P. J. T. Bachollet, Jérémy Forté, Mariateresa Giustiniano, Laurence Grimaud, Maxime R. Vitale
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-bvcvr
 
Subject: Chemistry
,
Working Paper
, Title:

Nanostructured h-WO₃-Based Ionologic Gates with Enhanced Rectification and Transistor Functionality

, Authors: Przemysław Galek, Ahmed Bahrawy, Christin Gellrich, Nick Niese, Mohamed Abdullah, Martin Hantusch, Julia Grothe, Stefan Kaskel
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-3c9s0
 
Subject: Chemistry
,
Working Paper
, Title:

SnS anodes with high volumetric capacity for Na-ion batteries and their characterization in ether and ester electrolytes

, Authors: HUI WANG, Yanan Sun, Thorsten Schultz, Katherine A. Mazzio, Vinita Ahuja, Yongchun Li, Volodymyr Baran, Norbert Koch, Philipp Adelhelm
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-8l8sm
 
Subject: Chemistry
,
Working Paper
, Title:

Soluble Conjugated Polymers without Side Chains: Macrocycles as Comonomers

, Authors: Martina Rimmele, Stefania Moro, Troy L. R. Bennett, James M. Turner, Filip Aniés, Qiao He, Andrew J. P. White, Simon E. F. Spencer, Martin Heeney, Felix Plasser, Giovanni Costantini, Florian Glöcklhofer
Version undefined posted 11 February 2025
Posted
Feb 11, 2025
10.26434/chemrxiv-2025-jbkg8
 
Subject: Chemistry
,
Working Paper
, Title:

Atomic layer deposition on spray-dried supraparticles to rationally design catalysts with ultralow noble metal loadings

, Authors: Philipp Groppe, Valentin Müller, Johannes Will, Xin Zhou, Kailun Zhang, Jörg Libuda, Tanja Retzer, Erdmann Spiecker, Julien Bachmann, Karl Mandel, Susanne Wintzheimer
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-r2ph8
 
Subject: Chemistry
,
Working Paper
, Title:

Milliseconds time-scale controlled freeze-quench for solute intermediates analysis by solid-state NMR

, Authors: Ieva Goldberga, Trevys Chanal, Tristan Georges, Guillaume Laurent, Thierry Azaïs
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-mjmc4
 
Subject: Chemistry
,
Working Paper
, Title:

Ferrocene-containing tetrahydropyridazines via domino chemistry

, Authors: Kyrylo Tymoshenko, Svitlana Shishkina, Vitalii Palchykov
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-ddpk3
 
Subject: Chemistry
,
Working Paper
, Title:

Amino Acid Composition drives Peptide Aggregation: Predicting Aggregation for Improved Synthesis

, Authors: Bálint Tamás, Marvin Alberts, Teodoro Laino, Nina Hartrampf
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-wjbmv
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous emergence of homochiral suspensions from racemic solutions via stochastic nucleation

, Authors: Leif-Thore Deck, Mercedeh Sadat Hosseinalipour, Marco Mazzotti
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-dqczr
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular-Level Mechanistic Insights into PETase-Catalyzed Plastics Hydrolysis from Accurate QM/MM Free Energy Calculations

, Authors: ALESSANDRO BERSELLI, Maria Cristina Menziani, GiovanniMaria Piccini, Francesco Muniz-Miranda
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-pkf5k
 
Subject: Chemistry
,
Working Paper
, Title:

Biosynfoni: A Biosynthesis-informed and Interpretable Lightweight Molecular Fingerprint

, Authors: Lucina-May Nollen, David Meijer, Maria Sorokina, Justin van der Hooft
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-cwq74
 
Subject: Chemistry
,
Working Paper
, Title:

MOFChecker: An algorithm for Validating and Correcting Metal-Organic Framework (MOF) Structures

, Authors: Xin JIN, Kevin Jablonka, Elias Moubarak, Yutao Li, Berend Smit
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-bh607
 
Subject: Chemistry
,
Working Paper
, Title:

Decomposition of magnetic coupling in µ-oxo-bridged metal complexes

, Authors: Justin Krampe, Vera Krewald
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-gbcfl
 
Subject: Chemistry
,
Working Paper
, Title:

Benchtop Proton NMR Study of Hyperpolarized Charged and Neutral Ir-IMes Hydride Intermediates in Acetonitrile

, Authors: Raphael Kircher, Jingyan Xu, Erik Van Dyke, Rozana Mazlumian, Dmitry Budker, Danila Barskiy
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-gvr5b
 
Subject: Chemistry
,
Working Paper
, Title:

Circularly Polarized Stimulated Emission from a Chiral Cavity Based on Apparent Circular Dichroism Organic Thin-Films

, Authors: Li-Zhi Lin, Ling-Qi Huang, Shi-Wei You, Yi-Jan Huang, Francesco Zinna, Andrew Salij, Lorenzo Di Bari, Randall H. Goldsmith, Roel Tempelaar, Chia-Yen Huang, TzuLing Chen
Version undefined posted 12 February 2025
Posted
Feb 12, 2025
10.26434/chemrxiv-2025-2xsvw
 
Subject: Chemistry
,
Working Paper
, Title:

Reversibly photocontrolled polyacrylamide hydrogels for mechanobiology

, Authors: Eric Abenojar, Ekta Minocha, Emmanuel Garcia Villatoro, Viraj Kirinda, Ashwani Gupta, Boyeong Kang, IkSung Cho, Vivian Zhang, Jae-Won Shin, Jason Wertheim, Julia Kalow
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-0dlbs
 
Subject: Chemistry
,
Working Paper
, Title:

Ruthenium-Catalyzed One Pot Three Component Substrate Controlled Site Selective Annulation Reaction via Cascade Dehydrogenative Pathway for 4H-Benzo[d][1,3]oxazin-4-one Derivatives

, Authors: Subir Panja, Biprajit Paul, Chandan Nandi, Biju Majhi, Brindaban C Ranu
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-cgmkr
 
Subject: Chemistry
,
Working Paper
, Title:

Democratizing self-driving labs through user-developed automation infrastructure

, Authors: Brenden Pelkie, Sterling Baird, Eunice Aissi, Kenzo Aspuru-Takata, Yang Cao, Jin Hyun Chang, Kshitij Gambhir, Wm Salt Hale, Lucy Hao, Chance Hattrick, Jason Hein, Danli Luo, Owen Melville, Monique Ngan, Louie Lucas Bisgaard Nyeland, Nadya Peek, Maria Politi, Ethan Elliot Rajkumar, Alexander Siemenn, Blair Subbaraman, Sonya Vasquez, Jeffrey Watchorn, Wenyu Zhang, Rógvi Ziskason, Lilo Pozzo, Tonio Buonassisi, Tejs Vegge
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-zhkrf
 
Subject: Chemistry
,
Working Paper
, Title:

Stereoselective 1,3-Cyclotelomerization of Butadiene with Dienophiles under Nickel Catalysis

, Authors: Ying Li, Li-Ming Zhang, Xue-Ting Li, Heng Liu, Ting-Ting Song, Ding-Wei Ji, Qing-An Chen
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-v2650
 
Subject: Chemistry
,
Working Paper
, Title:

The effect of polybutadiene chain architectures on the dynamic and mechanical properties of vulcanizates

, Authors: Jakub Gabryś
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-8pwqq
 
Subject: Chemistry
,
Working Paper
, Title:

Temperature-Dependent Mechanistic Control of Nonadiabatic Tunnelling in Triplet Carbenes

, Authors: Meghna A. Manae, Jeremy O. Richardson
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-9k50r
 
Subject: Chemistry
,
Working Paper
, Title:

Novel synthetic phospholipids for the preparation of thiol-responsive liposomes

, Authors: Célest Mordechai Attiach, Mélanie Sebastien, Edouard Brosset-Heckel, Salvatore Cinquerrui, Antoine Maruani
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-0mftt
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand exchange in TREN-based Cobalt (II) funnel complexes in the solid state

, Authors: Nicolas Nyssen, Gaël De Leener, Michel Luhmer, Benoit Colasson, Ivan Jabin, Aleksandar Višnjevac, Olivia Reinaud
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-mg4q6
 
Subject: Chemistry
,
Working Paper
, Title:

Mild and Scalable C4-Alkylation of Pyridine Derivatives: Enhanced Regioselectivity via Silane-Assisted Electroreduction

, Authors: Zhihao Yang, Xuan Liu, Yi-Xuan Chen, Yuting Gao, Hirofumi Maekawa, Tianyuan Zhang, Xin-Qi Hao, Mao-Ping Song
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-pzlfx
 
Subject: Chemistry
,
Working Paper
, Title:

Spectroelectrochemical properties of 8-aminoquinoline: voltammetric and computational studies

, Authors: Magdalena Wiloch, Dariusz Piekarski, Natalia Baran, Adam Kubas, Martin Jönsson-Niedziółka
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-2gxhd
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of octahedral aluminium sites on guest molecule adsorption in zeolites: A computational study of 5-fluorouracil in zeolite FAU

, Authors: Michael Fischer
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-bkwp1
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Structural Pores: Transient Permeabilization of Lipid Membranes by Antimicrobial Peptides

, Authors: Vladimir Rosenov Koynarev, Manuela Leal Nader, Kari Kristine Almåsvold Borgos, Henrique Muselli Cezar, Lionel Porcar, Theyencheri Narayanan, Michele Cascella, Reidar Lund
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-bmtmq
 
Subject: Chemistry
,
Working Paper
, Title:

The Hitchhiker's Guide to Socratic Methods in Prompting Large Language Models for Chemistry Applications

, Authors: Hassan Harb, Yunkai Sun, Rajeev Surendran Assary
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-djf43-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Deriving the Isoelectric Point of Amino Acids from Acid-Base Equilibria

, Authors: Gayan Senavirathne
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-9tpw3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Ethyl Hydrazide-Based Selective Histone Deacetylase 6 (HDAC6) PROTACs

, Authors: Daniel Stopper, Irina Honin, Felix Feller, Finn Kristian Hansen
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-8dblf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

AlchemBERT: Exploring Lightweight Language Models for Materials Informatics

, Authors: Xiaotong Liu, Yuhang Wang, Tao Yang, Xingchen Liu, Xiaodong Wen
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2024-r4dnl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rationalized synthetic access to benzimidazoline based n-type dopant precursors

, Authors: Francesca Pallini, Giulia Garavaglia, Gabriele Paoli, Giuseppe Mattioli, Francesco Porcelli, Lorenzo Mezzomo, Domenico Antonio Florenzano, Riccardo Ruffo, Mauro Sassi, SARA MATTIELLO
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-m3mpv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ruthenium-Mediated Nucleophilic Aromatic Substitution of Hydrogen in Benzene

, Authors: Stanislav Melnikov, Donghun Hwang, Bohyun Park, Martin Lutz, Mu-Hyun Baik, Daniel L. J. Broere
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2024-mttp6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Metal–Support Interactions of Ru Catalysts via Relaxation of Oxygen Vacancies for Hydrogen Production

, Authors: Mansu Kim, Jonghwan Park, Hyuk Choi, Sohui Kim, Injoon Jang, Hyun You Kim, Namgee Jung, Sung Jong Yoo, Joseph Hupp, Dongmok Whang
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-g62qh
 
Subject: Chemistry
,
Working Paper
, Title:

A Nitrilium ion-trapping path to substituted thiadiazoles and oxadiazoles

, Authors: Matthew Diamandas, Kane A. C. Bastick, Daniel Ou, Betty Huang, Andrei Yudin
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-nqfl9
 
Subject: Chemistry
,
Working Paper
, Title:

An Expert-Augmented Deep Learning Approach for Synthesis Route Evaluation

, Authors: Guo Yujia, Mikhail Kabeshov, Tat Hong Duong Le, Samuel Genheden, Giulia Bergonzini, Ola Engkvist, Samuel Kaski
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2024-tp7rh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Self-assembly of Tyrosine-containing Peptides into Injectable Hydrogels with Distinct Nanostructures is Key in Determining Inflammatory Response of Macrophages

, Authors: Jacek K. Wychowaniec, Ezgi Irem Bektas, Marcia Muerner, Jiranuwat Sapudom, Martin Šrejber, Marielle Airoldi, Roland Schmidt, Andrea J. Vernengo, Charlotte J.C. Edwards-Gayle, Paul Sean Tipay, Michal Otyepka, Jeremy Teo, David Eglin, Matteo D'Este
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2024-bn5sm-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A Kβ valence to core X-ray emission approach for fluorine and oxygen differentiation in Zr compounds

, Authors: Christian Heinekamp, Cafer-Tufan Cakir, Ana Guilherme Buzanich, Konstantin Klementiev, Michael Römelt, Thomas Braun, Franziska Emmerling
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-3mzhb
 
Subject: Chemistry
,
Working Paper
, Title:

Deconvolute the Impact of Microenvironment on Proton-Coupled Electron Transfers at Electrochemical Interfaces

, Authors: Yifei Xu, Yunze Qiu, Hai Xiao, Bingjun Xu
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-n2sxg
 
Subject: Chemistry
,
Working Paper
, Title:

A Closer Look at the Substituent Effects on the Copolymerization of Thionolactones by Radical Ring-Opening Polymerization

, Authors: Bastien Luzel, Lucas Raggio, Eytan Benharrous, Julien Monot, Didier Bourissou, Didier Siri, Didier Gigmes, Catherine Lefay, Blanca Martin-Vaca, Yohann Guillaneuf
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-cfz52
 
Subject: Chemistry
,
Working Paper
, Title:

Metaverse For Battery Manufacturing: Connecting Students From Different Geographical Locations To Solve Battery Manufacturing Problems In The Virtual Reality Space

, Authors: Soorya Saravanan, Utkarsh Vijay, Sophie Tran, Maris Minna Mathew, Desislava Yordanova Apostolova, Inaki Gandarias, Aubin Leclere, Romain Lelong, Alejandro A. Franco
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-3484j
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer conformation changes observed with the naked eye in a liquid crystal elastomer and their use to produce adjustable and multidirectional deformations

, Authors: Yakui Deng, Gaoyu Liu, Annie Brûlet, Patrick Keller, Min-Hui Li
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-w9lt0
 
Subject: Chemistry
,
Working Paper
, Title:

B ← N Lewis Pair Fusion of N,N-Diaryldihydrophenazines: Effect on Structural, Electronic, and Emissive Properties

, Authors: Ashutosh Sahoo, Ashvini Patel, Roger Lalancette, Frieder Jaekle
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-cw0kl
 
Subject: Chemistry
,
Working Paper
, Title:

Towards automated physics-based absolute drug residence time predictions

, Authors: Zachary Smith, Davide Branduardi, Dmitry Lupyan, Giulia D'Arrigo, Pratyush Tiwary, Lingle Wang, Goran Krilov
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-wg75c
 
Subject: Chemistry
,
Working Paper
, Title:

Room Temperature Ruthenium-Catalyzed Coupling of Cyclopropanols and α-Diazo-β-Ketoesters to α-Ester-δ-Diketones

, Authors: Lili Fang, Renpeng Zhou, Jin Zhu
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-wz11n
 
Subject: Chemistry
,
Working Paper
, Title:

Taming Distonic Radical Cations for Precise gamma-C–H Functionalization of Alkylamines

, Authors: Yota Sakakibara, Takumi Kinoshita, Kazuki Hirate, Kosuke Hamawaki, Shoma Chiba, Kosuke Terada, Kei Murakami
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-srlvk
 
Subject: Chemistry
,
Working Paper
, Title:

Analytical derivatives of symmetry-adapted perturbation theory corrections for interaction-induced properties

, Authors: Bartosz Tyrcha, Tarun Gupta, Konrad Patkowski, Piotr Szymon Żuchowski
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-91mps
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-objective evolutionary strategy for improving semiempirical Hamiltonians in the study of enzymatic reactions at the QM/MM level of theory

, Authors: José Luís Velázquez-Libera, Rodrigo Recabarren, Esteban Vöhringer-Martinez, Yamisleydi Salgueiro, J. Javier Ruiz-Pernía, Julio Caballero, Iñaki Tuñón
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-pvztk
 
Subject: Chemistry
,
Working Paper
, Title:

Achieving Multiway Switching in 2D Hexagonal Networks: A Molecular Engineering Strategy to Design Ambient Temperature Bistable Materials

, Authors: Krishna Kaushik, Sakshi Mehta, Sujit Kamilya, Subrata Ghosh, Niéli Daffé, Pradip Kumar Mondal, Santosh Panjikar, Jan Dreiser, Dohyun Moon, Radovan Herchel, Yanling Li, Mathieu Rouzières, Abhishake Mondal
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-4n622
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Conformational Effects of N- and C-Methylation of N-acylhydrazones

, Authors: Lucas Franco, Marina Alves, Carlos Mauricio Sant'Anna, Isadora Bastos, Regina Barroso, Fanny Costa, Fabio Furlan, Carlos Fraga, Eliezer Barreiro, Lídia Lima, Daniel Rodrigues, Pedro Pinheiro
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-bq95l
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Single Electron Transfer Activation of Alkyl- and Aryl-halides by a Cerium(III) Triamidoamine Complex

, Authors: Adrien Combourieu, Stella Christodoulou, Laurent Maron, Eachann Assendjee, Nicolas Casaretto, Akos Banyasz, Olivier Maury, Matthew Gregson, Ashley Wooles, Stephen Liddle, Cedric Tard, Gregory Nocton, Grégory Danoun
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-stwm1
 
Subject: Chemistry
,
Working Paper
, Title:

Text2Struc: Programmatic Crystal Structure Generation with Fine-Tuned Large Language Models

, Authors: Viktoriia Baibakova
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-pvgp0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Gauss-Legendre-Spherical-t (GLST) Cubature-Based Factorization of Long-Range Electrostatics in Simulations

, Authors: Wonmuk Hwang, James Gonzales, Bernard Brooks
Version undefined posted 13 February 2025
Posted
Feb 13, 2025
10.26434/chemrxiv-2025-q8q77
 
Subject: Chemistry
,
Working Paper
, Title:

From Non-Classical to Classical: Crystallization Seeds Reshape Nucleation Mechanisms

, Authors: Carlos Chu-Jon, Eli Martinez, Andressa Bertolazzo, Aditya Koneru, Subramanian Sankaranarayanan, Jeffrey Rimer, Valeria Molinero
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-74hf0
 
Subject: Chemistry
,
Working Paper
, Title:

Room Temperature Dinitrogen Cleavage and Hydrogenation with Organometallic Complexes of Uranium

, Authors: Angus Shephard, Lucie Pedussaut, Linda De Marchi, Luca Demonti, Thayalan Rajeshkumar, Nicolas Casaretto, Laurent Maron, Grégory Danoun, Thomas Simler, Gregory Nocton
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-grk3r
 
Subject: Chemistry
,
Working Paper
, Title:

Organic–inorganic hybrid solid lubricants based on 2D silver thiolate coordination polymers featuring precise interlayers

, Authors: Ren Muramatsu, Hiroshi Eguchi, Kenji Nagata
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-t5whw
 
Subject: Chemistry
,
Working Paper
, Title:

Precision in peak parameter estimation for Gaussian and Lorentzian profiles: Guidelines for instrument optimization

, Authors: Yuuki Hagiwara, Tatsu Kuwatani
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-0zqll
 
Subject: Chemistry
,
Working Paper
, Title:

Surface-Adaptive Anti-Biofouling Coatings Based on Amphiphilic P(OEGMA-co-AEMA) Copolymers: Synthesis, Characterization, and Performance Evaluation

, Authors: Miriam Peña Figueroa, Laura Saa, Aitziber L. Cortajarena, Jose A. Pomposo, Alberto Alvarez-Fernandez, Ester Verde Sesto, Armando Maestro
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-1z3h4
 
Subject: Chemistry
,
Working Paper
, Title:

Nitroreductase-triggered indazole formation

, Authors: Henrik Terholsen, Lisa Medema, Elizaveta Chernyshova, Alejandro Prats Luján, Gerrit J. Poelarends, Sandy Schmidt
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-2hs17
 
Subject: Chemistry
,
Working Paper
, Title:

A Theoretical Framework for Absolute Quantification in Digital Immunoassays and the Advancements in Droplet-Based Digital Immunoassay Methodologies

, Authors: Liang Guo, Tianjiao Mao, Liang Lu, Yipi Xiao, Fanrong Ai, Jiani Wang, Jing Yao, Xiluan Yan, Huan Li
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2024-19rj6-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Solvation free energies of anions: from new reference data to predictive models

, Authors: Thomas Nevolianis, Jonathan Zheng, Simon Müller, Matthias Baumann, Sofja Tshepelevitsh, Ivari Kaljurand, Ivo Leito, Irina Smirnova, William Green, Kai Leonhard
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-8bj2t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of tetra-porphyrin tubes for catalysis and host-guest chemistry

, Authors: John Pinti, Owen Szeglowski, Rachel Snider, Matthew Crawley, Timothy Cook
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-gxtfp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of an ultra-bright rotaxane with threaded BODIPY stoppers

, Authors: Matthieu Hicguet, Olivier Mongin, Fabienne Berrée, Yann Trolez
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-pxqqx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Activatable Photochemically Targeting Chimeras (PHOTACs) Enable the Optical Control of Targeted Protein Degradation of HDAC6

, Authors: Silas Wurnig, Maria Hanl, Thomas Geiger, Shiyang Zhai, Ina Dressel, Dominika Pieńkowska, Radosław Nowak, Finn Kristian Hansen
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2024-cs18b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Organozinc β-thioketiminate complexes and their application in ketone hydroboration catalysis

, Authors: Jamie Allen, Tobias Krämer, Lydia G. Barnes, Rebecca R. Hawker, Kuldip Singh, Alexander F. R. Kilpatrick
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2024-1x9k1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The distribution of groundwater uranium in Chintamani village, Karnataka, India

, Authors: Sadashiva Rampur, Mahesh Kumar V. K., Pavan R. Pelli, Senjuti Sarkar, Samayeta Pramanik, Upama Majumder, Shravanthi S., Bhavana Meenakshi, Srinidhi G. Santhanakrishnan, Rushi Pendem, Tanushree Ghosh, Deepesh Nagarajan
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-b3z4h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Water Permeation by Aramid Foldamer Nanochannels with Hydrophobic Interiors

, Authors: Saquib Farooq, Javid Ahmad Malla, Miroslava Nedyalkova, Rafael Freire, Indradip Mandal, Aurelien Crochet, Stefan Salentinig, Marco Lattuada, Charlie McTernan, Andreas Kilbinger
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-lz9xt
 
Subject: Chemistry
,
Working Paper
, Title:

Cyclopropanol - A Caged Dual-Functional Warhead for Selective Electrochemical Bioconjugation

, Authors: Shan Hu, Jinnawat Jongkhumkrong, Oznur OLMEZ, Diqi Yan, James D. Sitter, Hao Liu, Akshani Anjula Wijesooriya, Michael Walla, William Cotham, Aaron K. Vannucci, Qian Wang
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-ghsvg
 
Subject: Chemistry
,
Working Paper
, Title:

Convolutional Neural Network Based Characterization of Atomic Diffusion from Spectroscopic Imaging

, Authors: Protyush Sahu
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-p15v7
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical Crystal Downsizing Enables Melting, Glass Formation and Glass-Ceramic Conversion in a Cadmium-based Zeolitic Imidazolate Framework

, Authors: Wen-Long Xue, Alexander Klein, Mounir El Skafi, Jan-Benedikt Weiß, Felix Egger, Hui Ding, Suresh Vasa, Christian Liebscher, Mirijam Zobel, Rasmus Linser, Jin-Chong Tan, Sebastian Henke
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-x9s5h
 
Subject: Chemistry
,
Working Paper
, Title:

Empirical Evidence for Fermi-Dirac Classification of Minerals by Particle Size

, Authors: Joshua B. Starrett, Simon M. Iveson, Kevin P. Galvin
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-v3c87
 
Subject: Chemistry
,
Working Paper
, Title:

A Parallel CUDA Implementation of the Gauss-Legendre-Spherical-t Method for Electrostatic Interactions

, Authors: James Gonzales, Wonmuk Hwang, Bernard Brooks
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-904ch
 
Subject: Chemistry
,
Working Paper
, Title:

Linker-Dependent Gas Adsorption of Network Polymers Using Aminated Trinaphtho[3.3.3]propellane

, Authors: Kenichi Kato, Seina Okada, Motohiro Mizuno, Nobuyoshi Seto, Ryo Iwano, Shunsuke Ohtani, Tomoki Ogoshi
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-pkb6x
 
Subject: Chemistry
,
Working Paper
, Title:

Electron Sextets as Optically Addressable Molecular Qubits: Triplet Carbenes

, Authors: Yong Rui Poh, Xiao Chen, Hai-Ping Cheng, Joel Yuen-Zhou
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-px2sj
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning high-order multiexciton properties of CdSe quantum dots via size and surface modification

, Authors: Raktim Baruah, Krishan Kumar, Jan Dellith, Maria Wächtler
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-zd0zm
 
Subject: Chemistry
,
Working Paper
, Title:

Feasibility of Targeted Alpha Therapy for Alzheimer's Disease Using 211At-labeled Agent Targeting Amyloid-β Aggregates

, Authors: Rikuto Kashiyama, Hiroyuki Watanabe, Takahiro Akasaka, Hiroyuki Fujimoto, Masashi Murakami, Kazuhiro Ooe, Atsushi Toyoshima, Kazuma Nakashima, Masahiro Ono
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-6qdbr
 
Subject: Chemistry
,
Working Paper
, Title:

Carbene-Supported Triphosphorus Anion

, Authors: Yanbo Mei, Xue-Yi He, Jiancheng Li, Mo Liu, Qiuming Liang, Chengbo Yang, Liu Leo Liu
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-n4pfz
 
Subject: Chemistry
,
Working Paper
, Title:

Natural Language Processing for Automated Workflow and Knowledge Graph Generation in Self-Driving Labs

, Authors: Bastian Ruehle
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-0p7xx
 
Subject: Chemistry
,
Working Paper
, Title:

Acceleration of semi-empirical electronic structure theory calculations on consumer-grade GPUs using mixed precision density matrix purification

, Authors: Pit Steinbach, Christoph Bannwarth
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-dqh6v
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Fermentation Duration on the Nutritional, Anti-Nutritional, and Functional Characteristics of Colocasia Esculenta.

, Authors: Oyiyechukwu Elizabeth Chikelu, Juliet Nnenna Udeh, Chiamaka Vivian Ugwu
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-hzxjv
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of radical-bridged lanthanide heterobimetallic complexes

, Authors: Samuel Horsewill, Tajrian Chowdhury, Anna Bailey, William Peveler, Gordon Hedley, Claire Wilson, Joy Farnaby
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-1bkrg
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of Germicidal Far-UVC on Ozone and Particulate Matter in a Conference Room

, Authors: Farideh Narouei, Zifeng Tang, Shiqi Wang, Raabia Hashmi, David Welch, Sandhya Sethuraman, David Brenner, V. Faye McNeill
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2024-l6k59-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Structure and transport properties in the pseudo-binary phase system Li4SiS4 – Li4SnS4

, Authors: Lucas G. Balzat, Yan Li, Sascha Dums, Igor Moudrakovski, Kristina Gjorgjevikj, Armin Schulz, Yuheng Li, Simon Krause, Pieremanuele Canepa, Bettina V. Lotsch
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-bssbr
 
Subject: Chemistry
,
Working Paper
, Title:

Tailoring Phosphorene Quantum Dot via Electrochemical Methods for Enhanced Capacity Na-ion Batteries

, Authors: Bikash Ranjan Isaac, Sankeerth Satish, S. Sreedeep, Sangram Mohapatra, Subbiah Alwarappan, Vijayamohanan K. Pillai
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-kj2nm
 
Subject: Chemistry
,
Working Paper
, Title:

DNA-Drug Conjugates (DDCs) for computed delivery

, Authors: Si-Kai Chen, Miguel LopezTena, Francesco Russo, Emma E. watson, Millicent Dockerill, Javier Cabellogarcia, Sofia Barluenga, Nicolas Winssinger
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-m8262
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of Physicochemical Properties and Metal Electrodeposition from Deep Eutectic Mixtures based on Choline Chloride and Cobalt Chloride Hexahydrate

, Authors: Andrea Volpe, Chiara Pelosi, Celia Duce, Gianluca Ciancaleoni, Luca Bernazzani
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-w2qd3
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen Bonds under Electric Fields with Quantum Accuracy

, Authors: Alessandro Amadeo, Marco Francesco Torre, Klaudia Mràzikovà, Franz Saija, Sebastiano Trusso, Jing Xie, Matteo Tommasini, Giuseppe Cassone
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-v69sh
 
Subject: Chemistry
,
Working Paper
, Title:

FAST AND FLEXIBLE 3D MOLECULE DESIGN FRAMEWORK FOR NOVEL ORGANIC OPTOELECTRONIC MATERIALS

, Authors: Kele Xu, Guojiang Zhao, Zheng Cheng, Tianjiao Wan, Ming Feng, Shuqi Lu, Hongshuai Wang, Zijian Gao, Qi Ou, Liang Hu, Dawei Feng, Zifeng Zhao, Zhifeng Gao
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-kwdbd
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrasound-Driven Radical Expansion: Unlocking Novel Chemical Pathways

, Authors: Rand Ranj Adil
Version undefined posted 14 February 2025
Posted
Feb 14, 2025
10.26434/chemrxiv-2025-0nx8j
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing a novel intercalation nature of high-capacity conversion cathode materials for Fluoride-Ion Batteries by Operando Studies

, Authors: Hong Chen, Roland Schoch, Jean-Noel Chotard, Yannick Thiebes, Kerstin Wissel, Rainer Niewa, Matthias Bauer, Oliver Clemens
Version undefined posted 15 February 2025
Posted
Feb 15, 2025
10.26434/chemrxiv-2025-n2wh8
 
Subject: Chemistry
,
Working Paper
, Title:

Automation Accelerated screening of H-Bond-Rich Iridium Photosensitisers for Hydrogen Generation

, Authors: T. Harri Jones, Christopher Bradshaw, John Ward, Barry Blight
Version undefined posted 15 February 2025
Posted
Feb 15, 2025
10.26434/chemrxiv-2025-ngxc3
 
Subject: Chemistry
,
Working Paper
, Title:

Tailorable nanoparticles for magnetic water cleaning of polychlorinated biphenyls (PCBs)

, Authors: Lukas Müller, Anna Zehetmeier, Anna Höfling, Henrik Gaß, Johannes Voß, Daniel Krappmann, Linda Rockmann, Elias Harrer, Dirk Zahn, Andreas Hirsch, Marcus Halik
Version undefined posted 15 February 2025
Posted
Feb 15, 2025
10.26434/chemrxiv-2025-v6tn8
 
Subject: Chemistry
,
Working Paper
, Title:

A quantitative figure of merit for battery SEI films and their use as functional solid-state electrolytes

, Authors: Bo Liu, Dingyi Zhao, Katelyn Lyle, Xintong Yuan, Po-Hung Chen, Xinyue Zhang, Jin Koo Kim, Tian-Yu Wang, Haoyang Wu, Chongzhen Wang, Jiayi Yu, Keyue Liang, Jung Tae Kim, Kaiyan Liang, Yuzhang Li
Version undefined posted 15 February 2025
Posted
Feb 15, 2025
10.26434/chemrxiv-2025-r4t5c
 
Subject: Chemistry
,
Working Paper
, Title:

Study of evolution of three-dimensional porous structure in zeolite-templated carbons

, Authors: Madi Arsakay, Boyuan Shen, Xiao Chen, Hao Xiong, Korlan Duisenova, Alisher Fatkhulloev, Carola Vorndran, Guangwu Yang, Bayrammuhammet Annageldyyev, Sun Hwa Lee, Won Kyung Seong, Matthias Thommes, Fei Wei, Rodney Ruoff
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-9gg7z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Coexistence of Metallocene Cations and Anions

, Authors: Nico Gino Kub, Robin Sievers, Marc Reimann, Tim-Niclas Streit, Simon Steinhauer, Johanna Schlögl, Martin Kaupp, Moritz Malischewski
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-wp0nd
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of vinyl- azetidines and beta-lactams from allenamides via energy-transfer relay

, Authors: Sara Sparascio, Gabriele Scarica, Alessandro Cerveri, Giulia Russo, Davide Spataro, Luciano Marchiò, Matteo Lanzi, Giovanni Maestri
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-vc37r
 
Subject: Chemistry
,
Working Paper
, Title:

Design and Construction of a Fully Functionalised Probe Library for Mode of Action Studies

, Authors: Yaroslav Holik, Dinakaran Murugesan, Stephen Patterson, Susan Wyllie, Ian, H. Gilbert, Fabio Zuccotto, Gary, J. Tarver
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-4vn1q-v4
 
Subject: Chemistry
,
Working Paper
, Title:

From Data to Chemistry: Revealing Causality and Reaction Coordinates through Interpretable Machine Learning in Supramolecular Transition Metal Catalysis

, Authors: Radu A. Talmazan, Jakob Gamper, Ivan Castillo, Thomas S. Hofer, Maren Podewitz
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2024-nd20j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Co-assembly or self-sorting in supramolecular hydrogels? Nano-IR sheds light on tripeptide assemblies

, Authors: Paola Alletto, Ana M. Garcia, Federica Piccirilli, Silvia Marchesan
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-qfj9j
 
Subject: Chemistry
,
Working Paper
, Title:

The Unique Factor Governing Atomistic Rh-Catalyzed Dehydrogenation of CH₄

, Authors: Changqing Sun
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-g0jdg
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic and Geometric contributors to Hydrogen Binding in Uranium Oxide Grain Boundaries

, Authors: Rajat Goel, Nir Goldman, Ambarish Kulkarni
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-1l111-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Information dense and industry scalable accelerated formation

, Authors: Leon Merker, Markus Blessing, Bojing Zhang, Helge Sören Stein
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-9zf4v
 
Subject: Chemistry
,
Working Paper
, Title:

Detection and Quantification of Changes in Oligomeric States of STING at Attomolar Concentrations of Analyte

, Authors: William Lawless, Mark Eschenfelder, Robert Sparks, Sarah Lawless, Stephanie Krzypkowski, Kenyon Daniel, Wayne Guida
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2024-hjvh3-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Flow Synthesis of Combinatorial Protein Libraries

, Authors: Corey Johnson, Dimuthu A. Vithanage, Gha Young Lee, Bradley L. Pentelute, John S. Albin
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-mn6ct
 
Subject: Chemistry
,
Working Paper
, Title:

Measurements of Local pH Gradients for Electrocatalysts in Oxygen Evolution Reaction by Electrochemiluminescence

, Authors: Yu Wang, Sijia Zhou, Yongjun Zhen, Yongji Wang, Yuhua Hou, Kaiqing Wu, Chaofeng Huang, Songqin Liu, Yanfei Shen, Ran Chen, Yuanjian Zhang
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2024-l831h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of α,α-Difluoro-β-amino Amides using Aldimines and Bromodifluoroacetamides via Zinc-Promoted Reformatsky Reaction

, Authors: Ryota Ozawa, Tetsuya Yamamoto
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-3dn5z
 
Subject: Chemistry
,
Working Paper
, Title:

A Deep Learning-Augmented Density Functional Framework for Reaction Modeling with Chemical Accuracy

, Authors: Jin Xiao, Yingfeng Zhang, Bowen Li, Shuwen Zhang, Ya Gao, Han Wang, John Z.H. Zhang, Tong Zhu
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2024-vx4tb-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Evaluation of Hydrophobicity in Micropores of Nanostructured Metal-Organic Framework Materials from a Unified Isotherm Analysis

, Authors: Steven William Rutherford
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2024-h1x6w-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Graphically revealing weak interactions in dynamic environments using amIGM method

, Authors: Tian Lu
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-zts13
 
Subject: Chemistry
,
Working Paper
, Title:

DNA Chromopods: Engineering Chromosome-Inspired Nanoarchitectures as Protocell Blueprints

, Authors: Volkan Kilinc, Joel Henzie, Emmanuel Picheau, Yusuke Yamauchi, Jonathan Hill
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-9q3xk
 
Subject: Chemistry
,
Working Paper
, Title:

An Oxidative Palladium-Catalyzed Remote meta–Selective Homo-Biaryl-Coupling Assisted by Nitrile Directing Templates

, Authors: Chinnabattigalla Sreenivasulu, Perla Ramesh, Dakoju Ravi Kishore, Dasari Srinivas, Gedu Satyanarayana
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-2mj5p
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous Perovskite Passivators Effectively Combined with PTAA Hole Transport Materials in Perovskite Solar Cells

, Authors: Naoyuki Nishimura, Hiroyuki Kanda, Takurou N. Murakami
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-j0pmk
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction and Rationalization of Site Preference of Rare Earth Elements in Fluorapatite from Density Functional Theory

, Authors: Smahane Dahbi, Angelika D. Rosa, Alain Manceau, Stephan N. Steinmann
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-wnfmp
 
Subject: Chemistry
,
Working Paper
, Title:

Interaction of Metal Ion Stabilized Oligomeric Dipeptide with Lipid Membrane: Concurrent Observations of Supported Lipid Membrane, Wetting and Uptake

, Authors: Priyanka Nath, Debanjan Bagchi, Avijit Maity, Huma Tabassum, Suman Choudhury, Naveen Kumar, Anjan Chakraborty
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-vcwq2
 
Subject: Chemistry
,
Working Paper
, Title:

Spatially Resolved In Situ HERFD-XANES studies of ZnS Nanoparticle Synthesis at the Water-Toluene Interface

, Authors: Lars Klemeyer, Francesco Caddeo, Tjark L.R. Gröne, Sani Y. Harouna-Mayer, Brian Jessen, Cecilia A. Zito, Jagadesh Kopula Kesavan, Ann-Christin Dippel, Fernando Igoa Saldaña, Olivier Mathon, Pieter Glatzel, Dorota Koziej
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-800wx
 
Subject: Chemistry
,
Working Paper
, Title:

Improved Solubility Predictions in scCO2 Using Thermodynamics-Informed Machine Learning Models

, Authors: Dmitriy Makarov, Nikolai Kalikin, Yury Budkov, Pavel Gurikov, Sergey Kruchinin, Abolghasem Jouyban, Michael Kiselev
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-17w5j
 
Subject: Chemistry
,
Working Paper
, Title:

New Osmocene and Ruthenocene Phases Reveal the Common Conformational Behavior Regulated by Anagostic Bonds in Prototypical Metallocenes

, Authors: Ida Moszczyńska, Marek Szafrański, Andrzej Katrusiak
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-c498w
 
Subject: Chemistry
,
Working Paper
, Title:

Access to nitrogen-nitrogen bond-containing heterocycles through substrate promiscuity of piperazate synthases

, Authors: Yongxin Li, Angelina Osipyan, Niels A.W. de Kok, Simon Schröder, Maria Founti, Peter Fodran, Ronald van Merkerk, Artur Maier, Dirk Tischler, Sandy Schmidt
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-f1l90
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing Lubricant Deposition on Hair-like Substrates Using Cationic Polymer/Anionic Surfactant Complexes

, Authors: Nikol K. Dimitrova, Mihail T. Georgiev, Svetoslav E. Anachkov
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-46341
 
Subject: Chemistry
,
Working Paper
, Title:

eMap 2.0: A web-based platform for identifying electron transfer pathways in proteins and protein families

, Authors: James Gayvert, Alyssa Kranc, Ruslan Tazhigulov, Ksenia Bravaya
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-bvnp7
 
Subject: Chemistry
,
Working Paper
, Title:

A Systematic Investigation of TMB Substrate Composition for Signal Enhancement in ELISA

, Authors: Pavel Khramtsov, Anastasia Novokshonova, Zarina Galaeva, Maria Morozova, Tatiana Bezukladnikova, Mikhail Rayev
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-rjw27
 
Subject: Chemistry
,
Working Paper
, Title:

New heptazines bearing strongly electron-donating substituents with quasi-degenerate singlet and triplet excited states: an experimental and computational study

, Authors: Maggiore Antonio, Daniele Conelli, Roberto Grisorio, Gian Paolo Suranna, Vincenzo Maiorano, Andrzej Sobolewski, Wolfgang Domcke, Fabien Miomandre, Pierre Audebert
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-9t0z9
 
Subject: Chemistry
,
Working Paper
, Title:

Red emissive 1D Copper(I) Thiolates vs. green emissive 2D Copper(I) Halide Thiolates displaying second harmonic generation and two-photon absorption processes

, Authors: Saly Hawila, Buqin Xu, Florian Massuyeau, Romain Gautier, Nathalie Guillou, Alexandra Fateeva, Sébastien Lebegue, Inhwan Oh, Won June Kim, Gilles Ledoux, Miguel Monge, Adel Mesbah, Aude Demessence
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-w3tzb
 
Subject: Chemistry
,
Working Paper
, Title:

Origins of crystallisation-induced dual emission of terephthalic and isophthalic acid crystals

, Authors: Ljiljana Stojanovic, Michael Dommett, Rachel Crespo Otero
Version undefined posted 17 February 2025
Posted
Feb 17, 2025
10.26434/chemrxiv-2025-42hh2
 
Subject: Chemistry
,
Review
, Title:

Intelligent machining of CFRP composites via data-driven prediction and optimization: Advances, challenges and future prospects

, Authors: Jia Ge, Jiduo Zhang, Moran Xu, Ming Wu, Zequan Yao, Guoyu Fu, Wenchang Zhang, Brian G. Falzon, Giuseppe Catalanotti, Jinyang Xu, Yan Jin, Dan Sun
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-b1jjg
 
Subject: Chemistry
,
Review
, Title:

Nanomotors: 20 years anniversary and future roadmap

, Authors: Shuqin Chen, Donglei Fan, Peer Fischer, Ambarish Ghosh, Kerstin Göpfrich, Ramin Golestanian, Henry Hess, Xing Ma, Bradley Nelson, Tania Patiño, Jinyao Tang, Katherine Villa, Wei Wang, Li Zhang, Ayusman Sen, Samuel Sánchez
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-lczw9
 
Subject: Chemistry
,
Working Paper
, Title:

Ring-opening Polymerization of Unprotected Hydroxyproline N-Carboxyanhydride for the Facile Synthesis of Linear and Branched Poly-L-hydroxyproline

, Authors: Letian Wang, Wencan Wang, Xinyi Zhu, Chenming Tang, Xiaodong Jing, Yahui He, Justin Amengual, Yao Lin, Zhixiang Yu, Hua Lu
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2024-k9w3s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase

, Authors: Pinwen Cai, Chiara Disraeli, Basilius Sauter, Saule Zhanybekova, Dennis Gillingham
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2024-8v8km-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cryogenic milling of consumer plastics for high-throughput characterization of polydisperse, amorphous microplastics

, Authors: Charlie Maslen, Purnesh Chattopadhyay, Marie Theres Kühne, Gail McConnell, Juliane Simmchen
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-102pn
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Hubble Entropic States and Hubble Radiation Pressure from the Hubble Sphere Energy-Gap (Mass-Gap)

, Authors: Espen Haug
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.33774/coe-2025-h8845
 
Subject: Life Sciences
,
Working Paper
, Title:

The peacock’s tail is an artifact of a biased decision mechanism: description and simulation of declining threshold search

, Authors: Brian Dowling
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.33774/coe-2025-jpzmz
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Reducing Food Wastage in the Agricultural Supply Chain.

, Authors: Tanuj Samaddar
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.33774/coe-2025-w15qc
 
Subject: Chemistry
,
Working Paper
, Title:

Replacing a Cereblon Ligand by a DDB1 and CUL4 Associated Factor 11 (DCAF11) Recruiter Converts a Selective Histone Deacetylase 6 PROTAC into a pan-degrader

, Authors: Felix Feller, Heiko Weber, Martina Miranda, Irina Honin, Maria Hanl, Finn Kristian Hansen
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-bdnwm-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Piercing the Deepest Mathematical Mystery

, Authors: Vincent Granville
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.33774/coe-2025-6bfj1
 
Subject: Mathematics
,
Working Paper
, Title:

Collatz Sequence Proof 3rd Way

, Authors: Taha Muhammad
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.33774/coe-2025-9zpfc
 
Subject: Mathematics
,
Working Paper
, Title:

An extension of Wilson's Theorem

, Authors: Gennady Butov
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.33774/coe-2025-9m4c2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Non-relativistic Coulomb white hole

, Authors: Yeldos Svanbayev
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.33774/coe-2025-sfw5x-v2
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Chapter 26: Systems thinking and complexity in transitions research: Understanding system dynamics, feedback loops, and non-linear change

, Authors: Floor Alkemade, Georgios Papachristos
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.33774/coe-2025-lj1mm
 
Subject: Chemistry
,
Review
, Title:

Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding

, Authors: Abylay Katbashev, Marcel Stahn, Thomas Rose, Vahideh Alizadeh, Marvin Friede, Christoph Plett, Pit Steinbach, Sebastian Ehlert
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2024-pvfs0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-guided design of ISOX-DUAL-based Degraders targeting BRD4 and CBP/EP300. A case of Degrader collapse

, Authors: Anthony Edmonds, Dimitrios-Ilias Balourdas, Graham Marsh, Robert Felix, Bradley Basher, Jeff Cooper, Cari Grabl-Feesl, Madhu Kollareddy, Karim Malik, Helen Stewart, Timothy Chevassut, Ella Lineham, Simon Morley, Oleg Fedorov, James Bennett, Mohan Rajasekaran, Samuel Ojeda, Drew Harrison, Christopher Ott, Andreas Joerger, Hannah Maple, John Spencer
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-hn2j6
 
Subject: Chemistry
,
Working Paper
, Title:

Zero- to Ultralow-field Control of Hyperpolarized Nuclear Spin Orders in Acetonitrile Solvent

, Authors: Jingyan Xu, Raphael Kircher, Roman Picazo-Frutos, Dmitry Budker, Danila Barskiy
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-h53bc
 
Subject: Chemistry
,
Review
, Title:

Nature and mimetics: The PPII secondary structure in protein functionality and assembly of higher order structures

, Authors: Francisco Seco, Sandro Amador, Felipe Conzuelo, Ana C. Baptista, Leonor Morgado, Ana S. Pina
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-hsc7t
 
Subject: Chemistry
,
Working Paper
, Title:

FC2DES: Modeling 2D electronic spectroscopy for harmonic Hamiltonians

, Authors: Lucas Allan, Tim Zuehlsdorffs
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-346s1
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Dactyloquinone A and Spiroetherone A.

, Authors: Guillaume Schoenn, Cyrille Kouklovsky, Régis Guillot, Thomas Magauer, Guillaume Vincent
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-91q45
 
Subject: Chemistry
,
Working Paper
, Title:

Atomically Precise Single-Site Pt Catalyst via Dual-Confinements for Enhanced Low-Temperature Exhaust Oxidation

, Authors: Qin Liu, Zhenhao Hou, Yanghong Yu, Zhihengyu Chen, Yucheng Huang, Chuanqiang Wu, Wentuan Bi, Karena W. Chapman, Joseph T. Hupp
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-f87x3
 
Subject: Chemistry
,
Working Paper
, Title:

Near-zero Thermal Expansion in Coordination Polymer Cd(1,2,4-triazole)2(H2PO4)2

, Authors: Sounak Sarkar, Bo Brummerstedt Iversen
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-lb3q6
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Synthesis of Size-Tuned Carbon-Coated Stanene Quantum Dots at Room Temperature for High-Performance Lithium-Ion Batteries

, Authors: Bikash Ranjan Isaac, S. Sreedeep, Sankeerth Satish, Subbiah Alwarappan, Vijayamohanan K. Pillai
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-gqz38
 
Subject: Chemistry
,
Working Paper
, Title:

How THC Works: Structural Insights Explaining Ligand Affinity for, and Partial Agonism of, Cannabinoid Receptor 1

, Authors: Farsheed Shahbazi-Raz, Daniel Meister, Azam Mohammadzadeh, John Trant
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2023-mbr7t-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-objective Bayesian optimization for experimental design in copolymerization and revealing chemical mechanism of Pareto fronts

, Authors: Hiromu Yamada, Shogo Takasuka, Shunto Oikawa, Yosuke Harashima, Tomoaki Takayama, Aniruddha Nag, Araki Wakiuchi, Tsuyoshi Ando, Tetsunori Sugawara, Miho Hatanaka, Tomoyuki Miyao, Takamitsu Matsubara, Yu-ya Ohnishi, Hiroharu Ajiro, Mikiya Fujii
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-5kf7z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An In-Silico Study on Transient Enzyme Diffusion and Adsorption within Lignocellulosic Biomass using a Multi-Scale Model

, Authors: Saketh Merugu, David Shonnard
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-x0q3g
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable, Convergent Total Synthesis of (+)-Saxitoxin and Related Natural Products

, Authors: Yinliang Guo, Yiheng Li, Sihan Chen, Oscar Poll, Yige Wu, Christopher Prier, Kai-Jiong Xiao, Phil Baran
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-qj8f5
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of aniline from dinitrogen and benzene mediated by supported sodium on magnesium oxide

, Authors: Shixiong Zhang, Yongli Cai, Hong Wen, Liang Liu, Lei Yu, Junnian Wei, Jianping Guo, Zhenfeng Xi, Ping Chen
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-6nqpf
 
Subject: Chemistry
,
Working Paper
, Title:

Capillary Zone Electrophoresis-Mass Spectrometry of Intact G Protein-Coupled Receptors Enables Proteoform Profiling

, Authors: Ashley Ives, Kevin Jooss, Rafael Melani, Ryan Fellers, John Janetzko, Neil Kelleher
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-t2dr4
 
Subject: Chemistry
,
Review
, Title:

Repurposing Polymeric Waste from the Textile Industry for Sustainable Biodegradable Composites: Challenges and Opportunities

, Authors: Jerusha Evangeline Nallarajah
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-2mc0h
 
Subject: Chemistry
,
Review
, Title:

Harnessing CO₂ for the Development of Biodegradable Polymers: A Review of Innovations in Green Chemistry

, Authors: Jerusha Evangeline Nallarajah
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-dh55p
 
Subject: Chemistry
,
Working Paper
, Title:

The Promise of Operational Stability in Pnictogen-Based Perovskite-Inspired Solar Cells

, Authors: Noora Lamminen, Joshua Karlsson, Ramesh Kumar, Noolu Srinivasa Manikanta Viswanath, Snigdha Lal, Francesca Fasulo, Marcello Righetto, Mokurala Krishnaiah, Kimmo Lahtonen, Amit Tewari, Atanas Katerski, Jussi Lahtinen, Ilona Oja Acik, Erik M. J. Johansson, Ana Belén Muñoz-García, Michele Pavone, Laura M. Herz, G. Krishnamurthy Grandhi, Paola Vivo
Version undefined posted 18 February 2025
Posted
Feb 18, 2025
10.26434/chemrxiv-2025-d8194
 
Subject: Chemistry
,
Working Paper
, Title:

MOF-based Catalysis of Hydrolytic Destruction of Nerve Agent Simulants: The Complex Role of Lewis-acid Strength

, Authors: Thomas Sheridan, Rohan Wedam, Esther Tang, Joseph Hupp
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-7frsh
 
Subject: Chemistry
,
Working Paper
, Title:

Water-mediated interactions between glycans are weakly repulsive and unexpectedly long-ranged

, Authors: Sucheol Shin, Mauro Mugnai, Dave Thirumalai
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-n2c32
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of CsPbBr₃ Decorated ZIF-8 Nanocomposite for Enhanced Photocatalytic Performance

, Authors: Alen Sam Thomas, Philip Nathaniel Immanuel, Neena Prasad, Achiad Goldreich, Jonathan Prilusky, Lena Yadgarov
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-g32fr
 
Subject: Chemistry
,
Working Paper
, Title:

First principles study of molecular hydrogen activation by defects in boron nitride

, Authors: Michel Sassi, Tom Autrey
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-6pf79
 
Subject: Chemistry
,
Working Paper
, Title:

Grafted Coiled-coil Peptides as Multivalent Scaffolds for Protein Recognition

, Authors: Amanda Acevedo-Jake, Bram Mylemans, Danielle Kay, Peiyu Zhang, Boguslawa Korona, Guto Rhys, Aneika Leney, Danny Huang, Thomas Edwards, Laura Itzhaki, Derek Woolfson, Wilson Andrew
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-46wkb
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-material filaments for 3D printing of photoelectrocatalytic carbon nitride composites

, Authors: Timo Uhlein, Yana Reva, Martin Dierner, Johannes Will, Kirill Gubanov, Michael Moritz, Florian Winkler, Daniel Langford, Dirk M. Guldi, Christian Papp, Rainer H. Fink, Julien Bachmann, Erdmann Spiecker, Pablo Jiménez-Calvo, Mario Palacios-Corella, Siowwoon Ng
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-k7kz4
 
Subject: Chemistry
,
Working Paper
, Title:

Structural basis of Bis-quinolinium scaffolds binding to Quadruplex-duplex hybrids from PIM1 oncogene

, Authors: Anirban Ghosh, Jakub Harnoš, Petr Stadlbauer, Jiri Sponer, Martina Lenarcic Zivkovic, Lukáš Trantírek
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-k55xd
 
Subject: Chemistry
,
Working Paper
, Title:

Active Metasurface Thermal Emitters by Metallic Polymers

, Authors: Ting-Hsuan Chen, Qizhang Li, Xubing Wu, Kyle Hulle, Pei-Jan Hung, Qingsong Fan, Ching-Tai Fu, Po-Chun Hsu
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-m586z
 
Subject: Chemistry
,
Working Paper
, Title:

Sustainable and Efficient Extraction of Furfural from Bagasse: A Quantitative Analysis and Feasibility Study for Rural Economies

, Authors: Muhammad Asif, Sana Sultan, Subhan Ishaq
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-7bwqn
 
Subject: Chemistry
,
Working Paper
, Title:

H-Tunneling Rotamerization in Glycine Imine

, Authors: Vladimir D. Drabkin, André K. Eckhardt
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-7mfcm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Role of Polycrystalline F-SnO2 Substrate Topography on Formation Mechanism and Morphology of Pt Nanoparticles by Solid-State-Dewetting

, Authors: Martin Dierner, Sophia Peters, Mingjian Wu, Carmen Rubach, Shreyas Harsha, Rakesh Kumar Sharma, Yu Zheng Siah, Siow Woon Ng, Marco Altomare, Erdmann Spiecker, Johannes Will
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-vhmh5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-Catalyzed Fluoroacetyl Carbene Transfer from Sulfonium Salts

, Authors: Arturs Sperga, Artis Kinens, Janis Veliks
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-g5cqm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient nickel precatalysts for Suzuki-Miyaura cross-coupling of aryl chlorides and arylboronic acids under mild conditions

, Authors: Scott Stewart, Morgan John, Michael Nutt, Josephine Offer, Jeremy Duczynski, Ken Yamazaki, Tomoya Miura, Stephen Moggach, George Koutsantonis, Reto Dorta
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2024-dpn21-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Activated Nanobumps: Photoresponsive Low-Density Azobenzene Self-Assembled Monolayers

, Authors: Daisuke Ishikawa, Masahiko Hara
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-qznlf
 
Subject: Chemistry
,
Working Paper
, Title:

DOS-like strategy for the spirocyclic MedChem relevant building blocks via Petasis / Grubbs reactions sequence

, Authors: Maksym Herasymchuk, Kostiantyn Melnykov, Tetiana Druzhenko, Yaroslav Filatov, Dmytro Dudenko, Eugeniy Ostapchuk, Dmytro Volochnyuk, Serhiy Ryabukhin
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-1l7vt
 
Subject: Chemistry
,
Working Paper
, Title:

On the Influence of Remote Substituents on Stereoselectivity: alpha-Galactosylation via Intramolecular Hydrogen-bonding to beta-Triflate

, Authors: Kate Donaghy, Dionissia Pepe, Joseph Ruddy, Eoghan McGarrigle
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-m0xsd
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Efficient Removal of Perfluorooctanoic Acid from Water using Zirconium Terephthalate (UiO-66) Gel

, Authors: Giuseppe Di Palma, Pritam Banerjee, Kasper Enemark-Rasmussen, Sara Talebi Deylamani, Joerg R. Jinschek
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-0bt3h
 
Subject: Chemistry
,
Working Paper
, Title:

A Supramolecular Benzophenone-Based Photoinitiator for Spatially-Resolved Polymerization

, Authors: Alex Samuel Loch, Ibram Mikhail, Simona Bianco, Dipankar Ghosh, Massimo Vassalli, Andrew J Smith, Dave J Adams
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-mxfj9
 
Subject: Chemistry
,
Working Paper
, Title:

Alkyl–aryl exchange of thioethers via Pd-catalyzed inert C(sp3)–S bond cleavage

, Authors: Takehiro Matsuyama, Takafumi Yatabe, Kazuya Yamaguchi
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-fn5jq
 
Subject: Chemistry
,
Working Paper
, Title:

RedCat, an Automated Discovery Workflow for Aqueous Organic Electrolytes

, Authors: Murat Cihan Sorkun, Xuan Zhou, Joannes Murigneux, Nicola Menegazzo, Ayush Kumar Narsaria, David Thanoon, Peter A.A. Klusener, Kaustubh Kaluskar, Sharan Shetty, Efstathios Barmpoutsis, Süleyman Er
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-574b4
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging complementary ion activation methods with proton transfer charge reduction reactions for comprehensive characterization of monoclonal antibody heavy chain subunits

, Authors: Sean Dunham, Kyle Juetten, Jessica Hellinger, Mohamed Gadallah, Olivia Dioli, Jennifer Brodbelt
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-08vpx
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-Light Induced “Photo-Click” Reactions of Acylsilanes with Pyruvate Electrophiles

, Authors: Rowan Pilkington, Rosa Koessler, Jesse Molloy, Stefan Braese, Daniel Priebbenow
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-b7z0z
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring BERT for Reaction Yield Prediction: Evaluating the Impact of Tokenization, Molecular Representation, and Pre-training Data Augmentation

, Authors: Adrian Krzyzanowski, Stephen Pickett, Peter Pogány
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-nq3xn
 
Subject: Chemistry
,
Working Paper
, Title:

Graphically-Defined Model Reactions are Extensible, Accurate, and Systematically Improvable

, Authors: Qiyuan Zhao, Veerupaksh Singla, Hsuan-Hao Hsu, Brett Savoie
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-pp3xl
 
Subject: Chemistry
,
Working Paper
, Title:

Facet-dependent polaron stability in photocatalysis by SrTiO3: A constrained DFT study

, Authors: Tatsuya Joutsuka
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-rgvcd
 
Subject: Chemistry
,
Review
, Title:

The Analogous Degradation Pathways of Oxidative Hair dyes and Melanin: An Analysis of Conjugated Bonds, Hair Color, and How it Lightens

, Authors: Robin (Bobbi) DeBerard
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-b5xlm
 
Subject: Chemistry
,
Working Paper
, Title:

Aggregation-Induced Effects on the Nonradiative Recombination Dynamics of Inverted Singlet-Triplet Heptazine-Based Materials

, Authors: Laure de Thieulloy, Robson Oliboni, Piotr de Silva, Luis Rego
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-t2rtl
 
Subject: Chemistry
,
Working Paper
, Title:

Reaction network analysis of organochloride mediated oxidation induced by ionizing radiation

, Authors: Juncheng Liu, Bing Xu, Evgeny Uslamin, Evgeny Pidko, Antonia Denkova, Rienk Eelkema
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-cq53z
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and evaluation of pseudoglucosinolates (psGSLs) releasing isothiocyanates (ITCs) in the presence of azoreductases

, Authors: Aishi Chakrabarti, Charity S. G. Ganskow, Mervic D. Kagho, Claire C. Jimidar, Lorenz Wiese, Neslihan Beyazit, Ulrike Beutling, Margarita Seeger, Silvana Smits, Stella Nyström, Anne Farewell, Anett Schallmey, Mark Brönstrup, Philipp Klahn
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-6xhv5
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Biological Evaluation of Thiosemicarbazone-based Antibody-Drug Conjugates

, Authors: Nandan Sheernaly, Irene Shajan, Axel Steinbrueck, Bauke Albada, Nils Metzler-Nolte
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-9974f
 
Subject: Chemistry
,
Working Paper
, Title:

Iodine in the Atmosphere II: Cluster Formation Potential of Iodine Oxyacids and Iodine Oxides

, Authors: Morten Engsvang, Jonas Elm
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-k6v82
 
Subject: Chemistry
,
Working Paper
, Title:

Antileishmanial and Antitoxoplasmal Activities of 1,4-dihydropyridines

, Authors: Thaís Oliveira, Ibrahim Al Nasr, Waleed Koko, Tariq Khan, Ismail Daoud, Seyfeddine Rahali, Noureddine Amdouni, Ridha Ben Said, Antônio Crotti
Version undefined posted 19 February 2025
Posted
Feb 19, 2025
10.26434/chemrxiv-2025-kg8p8
 
Subject: Chemistry
,
Working Paper
, Title:

Towards an understanding of the mode of action of arsenic(III) on the fungus Neofusicoccum parvum fungus: Identification of target proteins

, Authors: Andréa ENGEL, Florence FERRARI, Maude MEYER, Jean-Marc STRUB, Martin SPICHTY, Christophe BERTSCH, Christine SCHAEFFER, Céline TARNUS, Sébastien ALBRECHT, Mary-Lorène GODDARD
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-sqpbn
 
Subject: Chemistry
,
Working Paper
, Title:

A Machine Learning and Quantum Chemistry Approach for Identifying Prebiotic Molecules in the Interstellar Medium

, Authors: Hongchen Ji, Anita Rágyanszki, Rene Fournier
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-vnwq3
 
Subject: Chemistry
,
Working Paper
, Title:

Modulation of Lanthanide Luminescence with the Mechanical Bond: Antenna-Emitter Confinement in a Compact [2]Rotaxane

, Authors: Anja Ramström, Daisy R. S. Pooler, Huseynagha Abasov, Monika Tomar, Stefano Crespi, Fredrik Schaufelberger
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-m46z4
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Au13-based building block clusters for programmed dimer formation and Au13 cluster dimer photoexcitation properties

, Authors: Taiga Kosaka, Yoshiki Niihori, Tokuhisa Kawawaki, Yuichi Negishi
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-mhhdg
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing non-bonded aggregates populations: application to the concentration-dependent IR O-H band of phenol

, Authors: J. Pablo Galvez, José Zúñiga, Javier Cerezo
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-70p06
 
Subject: Chemistry
,
Working Paper
, Title:

Predict Before You Precipitate: Learning Templating Effects in HOI Antimony and Bismuth Halides

, Authors: Jakob Blahusch, Konstantin S. Jakob, Johannes T. Margraf, Karsten Reuter, Bettina V. Lotsch
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-1s2mm
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and biological characterization of 4,4-difluoro-3-(phenoxymethyl)piperidine scaffold as dopamine 4 receptor (D4R) antagonist in vitro tool compounds

, Authors: Saeedeh Saeedi, Anish Vadukoot, Corey Hopkins
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-g6zh3
 
Subject: Chemistry
,
Working Paper
, Title:

MECHANOCHEMICAL ACTIVATION OF NAHCO3: A CO2 SOLID SURROGATE IN CARBOXYLATION REACTIONS

, Authors: Francesco Mele, Andrea Aquilini, Ana Maria Constantin, Francesco Pancrazzi, Lara Righi, Andrea Porcheddu, Raimondo Maggi, Daniele Alessandro Cauzzi, Giovanni Maestri, Elena Motti, Luca Capaldo, Nicola Della Ca'
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2024-zm9fw-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Room-temperature H2 splitting and N2-hydrogenation induced by a neutral Lu(II) complex

, Authors: Evangelos Papangelis, Luca Demonti, Iker del Rosal, Angus Shephard, Laurent Maron, Grégory Nocton, Thomas SIMLER
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2024-jd2bq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Fluorescence Emission Wavelengths and Quantum Yields via Machine Learning

, Authors: Rubens C. Souza, Julio Cesar Duarte, Ronaldo R. Goldschmidt, Itamar Borges Jr
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2024-fhzdt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Higher-level Strategies for Computer-Aided Retrosynthesis

, Authors: Jihye Roh, Joonyoung F. Joung, Kevin Yu, Zhengkai Tu, G. Logan Bartholomew, Omar A. Santiago-Reyes, Mun Hong Fong, Richmond Sarpong, Sarah E. Reisman, Connor W. Coley
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-21zvt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Advancing Multiscale Molecular Modeling with Machine Learning-Derived Electrostatics

, Authors: Jonathan A. Semelak, Pickering Ignacio, Kate K. Huddleston, Justo Olmos, Juan S Grassano, Camila Clemente, Salvador I. Drusin, Marcelo Marti, Mariano C. Gonzalez Lebrero, Adrian E. Roitberg, Dario A. Estrin
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2024-m9xgc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

FEP-SPell-ABFE: An Open-Source Automated Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery

, Authors: Pengfei Li, Tingting Pu, Ye Mei
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2024-tkvrh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

HFIP Solvent Effects on Enantioselectivity of Dirhodium Tetracar-boxylate-Catalyzed Cyclopropanation

, Authors: Turki Alturaifi, Kristin Shimabukuro, Jack Sharland, Binh Khanh Mai, Evan Weingarten, Mithun Madhusudhanan, Djamaladdin Musaev, Peng Liu, Huw Davies
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-mlb1q
 
Subject: Chemistry
,
Working Paper
, Title:

Frontal Polymerization of Hydroxylated Norbornene: Fabrication of Functional Foams for Catalytic Applications

, Authors: Andrew Vogler, Tina Dinh, Hanlin Wang, Ghaida Aldhahri, Arfa Abrar Malik, Diego Alzate-Sanchez
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-h8rwj
 
Subject: Chemistry
,
Working Paper
, Title:

Fragment to Framework: Bottom-Up Engineering of Band Gaps in Covalent Organic Frameworks

, Authors: Michelle Ernst, Rostislav Fedorov, Alessandro Calzolari, Fabian F. Grieser, Sophia Ber, Ganna Gryn'ova
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-zbc8x
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The CMB Temperature is Simply the Geometric Mean: T_cmb = Sqrt(T_min*T_max) of the Minimum and Maximum Temperature in the Hubble Sphere

, Authors: Espen Haug
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.33774/coe-2025-s7wnb
 
Subject: Engineering
,
Working Paper
, Title:

GEFT Scheduling to Maximize Value of Current Infrastructure and Upside Potential

, Authors: Adam Suppes, Galen Suppes
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.33774/coe-2025-x07tg
 
Subject: Computer Science
,
Poster
, Title:

Learn by Interaction: Advancing Agentic AI for Web Automation with LangGraph

, Authors: Jialin Wang, Zhihua Duan
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.33774/coe-2025-b0gbv
 
Subject: Chemistry
,
Working Paper
, Title:

A Compartmentalized Model of Multiphase Chemical Kinetics

, Authors: Alexander Prophet, Kevin Wilson
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-9dw51
 
Subject: Chemistry
,
Working Paper
, Title:

Kaolinite Sorption Isotherms of Benzalkonium and Dialkyldimethylammonium Compounds under Dilute Conditions Investigated by Direct and Passive Sampling Methods

, Authors: Satoshi Endo, Anh T.Ngoc Do, Sakura Yoshii, Masami K. Koshikawa, Sadao Matsuzawa
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-12vzq
 
Subject: Chemistry
,
Working Paper
, Title:

Data-driven Discovery of Polar Organic Cocrystals: Integration of Machine Learning and Automated Screening

, Authors: Huiyu Liu, Muyao Yu, Xiangyu Zhang, Yiru Sun, Yuyang Ling, Zezhao Xu, Zidi Wang, Na Yu, Yue-Biao Zhang, Ping Huai, Qisheng Wang, Xuming He, Linjiang Chen, Wei-Hong Zhu, Shan Jiang
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-rr1vg
 
Subject: Chemistry
,
Working Paper
, Title:

Determining Site Requirements for Reactive Species in Multi-Site Catalysis on Metal Surfaces Using Excluded Areas

, Authors: Ari F. Fischer
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-f9955
 
Subject: Chemistry
,
Working Paper
, Title:

Artificial intelligence-driven platform for catalytic reactor discovery and optimization applied to carbon dioxide valorization

, Authors: Cristopher Tinajero, Marcileia Zanatta, Eduardo García-Verdugo, Victor Sans
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-3gstc
 
Subject: Chemistry
,
Working Paper
, Title:

How Do Food Compounds Interact with Their Protein Targets? Alternative Approaches for Protein Binding

, Authors: Mario Astigarraga, Verónica López-Alejandre, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-4pz58
 
Subject: Chemistry
,
Working Paper
, Title:

Divergent Organomagnesium Reactivity of Rigid, Dinucleating Naphthyridine Ligands: Subtle Changes with Big Impact

, Authors: Errikos Kounalis, Marieke M. Broekman, Puck Uyttewaal, Martin Lutz, Daniel L. J. Broere
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-8kfrc
 
Subject: Chemistry
,
Working Paper
, Title:

Towards carbon-free cathodes for fluoride ion batteries: deconvoluting effects of active material and conductive additive on charging and cyclic stability

, Authors: Tommi Hendrik Aalto, Roham Talei, Guido Schmitz, Oliver Clemens
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-0mhwm
 
Subject: Chemistry
,
Working Paper
, Title:

Versatile bifunctional PYTA derivatives for actinium-225 radiolabeling: a comparison to gold standards

, Authors: Maxime Cheveau, Mathieu Moreau, Anna Grohmann, Sarah Robert, Alexandre Cochet, Bertrand Collin, Frédéric Boschetti, Sophie Poty, Franck Denat
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-q2t1b
 
Subject: Chemistry
,
Working Paper
, Title:

A [CuII24] truncated octahedron and its [CuII8] building block

, Authors: Euan Brechin, Lucinda Wilson, Gary Nichol, Scott Dalgarno
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-l2tk4
 
Subject: Chemistry
,
Working Paper
, Title:

Two-tier Selectivity in PROTAC-Prodrugs Targeting Prostate Cancer

, Authors: Eleen Laul, Katherine Gosselé, Cristina Nevado
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-8qlmc
 
Subject: Chemistry
,
Working Paper
, Title:

A Comparison of Bead-Spring and Site-Binding Models for Weak Polyelectrolytes

, Authors: Loris Burth, David Beyer, Christian Holm
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-v96zp
 
Subject: Chemistry
,
Working Paper
, Title:

Structural investigations of catalytically relevant chlorofluorides using a combined X-ray and neutron scattering approach

, Authors: Christian Heinekamp, Javier Castells-Gil, Phoebe K. Allan, Mike Ahrens, Minh Bui, Thomas Braun, Franziska Emmerling
Version undefined posted 20 February 2025
Posted
Feb 20, 2025
10.26434/chemrxiv-2025-bzh7r
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of Ligands on the Cerium-Catalysed Ligand-to-Metal Charge Transfer

, Authors: Jessica Stahl, Marcel Fischer, Patrick Nuernberger, Burkhard Koenig
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-njm7b
 
Subject: Chemistry
,
Working Paper
, Title:

Reduced NiGraf: An Effective Hydrogenation Catalyst of Large Applicative Potential

, Authors: Matteo Formenti, Rosaria Ciriminna, Cristina Della Pina, Mario Pagliaro
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-fhf4r
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling N speciation in solution synthesis of N-doped carbon materials

, Authors: Mi Yeon Byun, Lili Liu, Daniel Mejia Rodriguez, Eric Walter, Zihua Zhu, Niri Govind, Tom Autrey, Maria Sushko
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-r6fhv
 
Subject: Chemistry
,
Working Paper
, Title:

Learning from failures: anatomy and post-mortem analysis of an unsuccessful search for inhibitors of SARS-CoV2 papain-like protease

, Authors: Pedro Silva
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-6245x
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetics Overcome Thermodynamics in Primitive Analogs of the Reverse Tricarboxylic Acid Cycle

, Authors: Vignesh Sathyasaleen, John Morgan, Brett Savoie
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-tjbjd
 
Subject: Chemistry
,
Working Paper
, Title:

Defluorinative Coupling of (NH)-Heteroarenes and Unactivated Vinyl Fluorides Enabled by Metal–Organic Frameworks

, Authors: Kaitlyn Keasler, Jaehwan Kim, Julia Pitolaj, Phillip Milner
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-r4408
 
Subject: Chemistry
,
Working Paper
, Title:

Hexadehydro Diels–Alder/Alkynyliodanation Cascade: A Highly Regioselective and Expedient Entry to Polycyclic Aromatics

, Authors: Naohiko Yoshikai, Shunya Morohashi, Liejin Zhou, Kazuya Kanemoto, Eunsang Kwon
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-w5hqm
 
Subject: Chemistry
,
Working Paper
, Title:

What can be learned from the electrostatic environments within nitrogenase enzymes?

, Authors: Thijs Stuyver, Olena Protsenko, Davide Avagliano, Thomas Ward
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-dndx6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The SOFAST-HMBC-HMQC experiment for pairing geminal methyl groups in Valine and Leucine side-chains.

, Authors: Ana Paula Aguilar Alva, Lucas Siemons, Ulric le Paige, Coline Wiame, Florence Cordier, Nicolas Wolff, Guillaume Bouvignies, Philippe Pelupessy, Fabien Ferrage
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2024-pcznw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Stabilization of the Ferryl=oxoheme Form of Staphylococcus aureus IsdG by Electron Transfer from a Second-Sphere Tryptophan

, Authors: Aarzoo Grover, Matthew A Conger, Matthew D Liptak
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2024-8tqvn-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Scaffold Hopping with Generative Reinforcement Learning

, Authors: Luke Rossen, Finton Sirockin, Nadine Schneider, Francesca Grisoni
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2024-gd3j4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Behind Closed Doors: The Untold Challenges of Transgender and Nonbinary Graduate Students in Chemistry

, Authors: Michelle M. Nolan, Isaac M. Blythe, Paulette Vincent-Ruz
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2024-8nq9g-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A SIMPLE SIZE-EXCLUSION CHROMATOGRAPHIC (HPLC-SEC) METHOD FOR THE DETERMINATION OF BIOPOLYMER’S APPARENT MOLECULAR WEIGHT

, Authors: Amel Harbaoui, Zied Jardak, Issam Smaali
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-b9np3
 
Subject: Chemistry
,
Working Paper
, Title:

Forging Nanoparticle Superlattices with Colloidal Metallurgy

, Authors: Carl Thrasher, Nolan Murphy-Genao, Nicholas Sbalbi, Rebecca Li, Theodore Hueckel, Matthew Ye, A. John Hart, Robert Macfarlane
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-rcmsl
 
Subject: Chemistry
,
Working Paper
, Title:

Expedient construction of fused polycyclic skeletons via palladium-catalyzed dearomatization of naphthalenes and benzenes.

, Authors: Jinbin Zhu, Jiaqi Li, Zhenyue Li, Yuan Yuan, Zelan Zhu, Yanyan Wang, Zhonghao Deng, Qiuyan Tu, Zhiyong Tan, Shaobin Tang, Zhengwang Chen, Zhong-Xia Wang
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-hjjw6
 
Subject: Chemistry
,
Working Paper
, Title:

Metastable Sodium closo-Hydroborates for Low Temperature All-Solid-State Battery with Thick Cathode

, Authors: Jin An Sam Oh, Zihan Yu, Chen-Jui Huang, Phillip Ridley, Alex Liu, Tianren Zhang, Bingjoe Hwang, Kent Griffith, Shyue Ping Ong, Ying Shirley Meng
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-sz07p
 
Subject: Chemistry
,
Working Paper
, Title:

Cooperative Ammonia Formation Catalyzed by Molybdenum and Samarium Complexes

, Authors: Taichi Mitsumoto, Taiji Nakamura, Hiromasa Tanaka, Kazunari Yoshizawa, Yoshiaki Nishibayashi
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-4416j
 
Subject: Chemistry
,
Working Paper
, Title:

Superhydrophobic Fatty Acid-Based Spray Coatings with Dual-mode Antifungal Activity

, Authors: Elena Prudnikov, Hanan Abu Hamad, Iryna Polishchuk, Alexander Katsman, Ester Segal, Boaz Pokroy
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-k2jdv
 
Subject: Chemistry
,
Working Paper
, Title:

CGsmiles: A Versatile Line Notation for Molecular Representations Across Multiple Resolutions

, Authors: Fabian Grünewald, Leif Seute, Riccardo Alessandri, Melanie König, Peter Kroon
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-vhbnq
 
Subject: Chemistry
,
Working Paper
, Title:

LiBF₄-Derived Coating on LiCoO₂ for 4.5 V Operation of Li₆PS₅Cl-based Solid-State Batteries

, Authors: feng jin, Ingeborg Sellæg Ellingsen, Laras Fadillah, Quoc Hung Nguyen, Henrik Rotvær Bratlie, Daniel Knez, Gerald Kothleitner, Mir Mehraj Ud Din, Sverre M. Selbach, Günther J. Redhammer, Daniel Rettenwander
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-2sqt6
 
Subject: Chemistry
,
Working Paper
, Title:

Design, Synthesis, and Structure–Activity Relationship Studies of 4-substituted Phenylpyrazolidinone Derivatives as Potent Ku70/80 Targeted DNA-PK Inhibitors

, Authors: Narva Deshwar Kushwaha, Pamela VanderVere-Carozza, Tyler L. Vernon, Pamela L. Mendoza-Munoz, Jitender D. Gaddameedi, Karim Ben Ali Gacem, Jean-Baptiste Charbonnier, Navnath S. Gavande, John J. Turchi
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-trgrp
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Effects of Pore Size and Diamine Functionalization on CO2 Diffusion in Metal-Organic Frameworks using Machine-Learning Interatomic Potentials

, Authors: Joharimanitra Randrianandraina, Chang Seop Hong, Jung-Hoon Lee
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-2r8s1
 
Subject: Chemistry
,
Working Paper
, Title:

Quantification of azides on the surface of nanoparticles: towards precise bioconjugation

, Authors: Elizaveta Maksimova, David E. Salazar Marcano, Jonathan De Roo
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-swjjx
 
Subject: Chemistry
,
Working Paper
, Title:

Discrete Element Method Model of An Extrusion Process with Recirculation for Dry Manufacturing of Lithium-Ion Battery Electrodes

, Authors: Pei Sun, Paul Vigneaux, Alejandro A. Franco
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-xzvw4
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Phenylenediamines via [4+1+1] Photocycloaddition of 1,3-Dienes and Isocyanides Enabled by a Gallium(I)/(III) Redox: The Key Role of a Phenalenyl-Based Ligand

, Authors: Nijito Mukai, Takuya Kodama, Mamoru Tobisu
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-xj3jk
 
Subject: Mathematics
,
Working Paper
, Title:

Proof of the infinity of twin primes.

, Authors: Valery Gumpert
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.33774/coe-2025-1sq0v-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Effect of Viscous Force on the Hubble Sphere: Superfluid Dynamics and the Role of Dark Energy in Preventing Universal Contraction

, Authors: Espen Haug, Stephane Wojnow
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.33774/coe-2025-gv9k5
 
Subject: Chemistry
,
Working Paper
, Title:

A Fast Neural Network for Isotopic Charge State Assignment

, Authors: John Pavek, Nicholas Bollis, Josiah Grimes, Michael Shortreed, Lloyd Smith, Michael Marty
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-f2p26
 
Subject: Chemistry
,
Working Paper
, Title:

Base-Promoted Dynamic Amide Exchange: Efficient Access to Isotopically Enriched Tertiary Amides

, Authors: Quentin Lemesre, Rémy Blieck, Antoine Sallustrau, Timothée D'Anfray, Frédéric Taran, Davide Audisio
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-cjq5h
 
Subject: Chemistry
,
Working Paper
, Title:

AutoSIM: Redesigning and automating umbrella sampling for biomolecular conformational transitions

, Authors: Mitradip Das, Ravindra Venkatramani
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-752xn
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of a 2D tungsten MXene for electrocatalysis

, Authors: Anupma Thakur, Wyatt Highland, Brian Wyatt, Jiayi Xu, Nithin Chandran B. S., Bowen Zhang, Zachary Hood, Shiba Adhikari, Emad Oveisi, Barbara Pacakova, Fernando Vega, Jeffrey Simon, Colton Fruhling, Benjamin Reigle, Mohammad Asadi, Paweł Michałowski, Vladimir Shalaev, Alexandra Boltasseva, Thomas Beechem, Cong Liu, Babak Anasori
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2024-dprbn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Encoding Hierarchical 3D Architecture through Inverse Design of Programmable Bonds

, Authors: Jason S. Kahn, Brian Minevich, Aaron Michelson, Hamed Emamy, Kim Kisslinger, Shuting Xiang, Sanat K. Kumar, Oleg Gang
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2022-xwbst-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Room-Temperature Sulfidation of Commercial FeNiCo Alloy for Efficient Oxygen Evolution Reaction

, Authors: Dongjae Kong, Jihyun Baek, Sungsoon Kim, Xiaolin Zheng
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-pq5g7
 
Subject: Chemistry
,
Working Paper
, Title:

A Novel Nucleic Acid Analogue (eTNA) Enhances Oligonucleotide Exonuclease Resistance Through End Capping

, Authors: Hui Mei, Junlin Wen, Chunlei Zhang, Xue Chen, Ziwen Dai, Mengting Li, Wenjian Ma, Xiaoluo Huang, Chenghe Xiong
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-vvjd7
 
Subject: Chemistry
,
Working Paper
, Title:

Design and commissioning of a high-temperature electrochemical cell for hard x-ray in-operando studies

, Authors: Oliver Calderon, Viola Birss, Simon Trudel
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-7sxv7
 
Subject: Chemistry
,
Review
, Title:

The up’s and down’s of internal conversion

, Authors: Anjay Manian, Zifei Chen, Hugh Sullivan, Salvy Russo
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-kp7jf
 
Subject: Chemistry
,
Working Paper
, Title:

AI-driven de-novo design and development of non-toxic DYRK1A inhibitors

, Authors: Eduardo González, Pablo Varas, Pedro González-Naranjo, Eugenia Ulzurrun, Guillermo Marcos-Ayuso, Concha Pérez, Juan A. Páez, David Rios-Insua, Simón Rodríguez Santana, Nuria E. Campillo
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2024-rcx7n-v2
 
Subject: Chemistry
,
Review
, Title:

Assisted Reproductive Technology: A Ray of Hope for Infertility

, Authors: Rumiana Tenchov, Qiongqiong Angela Zhou
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-5sfk1
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Asymmetric Synthesis of Fused Polycyclic Tetrahydropyridazine through Inverse‐Electron‐Demand Aza-Diels-Alder Reaction of Olefins with Azoalkenes in Situ Generated from α‑Halogeno Hydrazones

, Authors: Shi-Wu Li, Wei Li, Zhifei Zhao
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-p3d20
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous or Stimulated? Investigating Raman’s Detection Limits in Aqueous Environments

, Authors: Karsten Mohn, Bin Dong, Shivam Mahapatra, Ishaan K. Singh, Justin P. Lomont, Boyong Wan, Chi Zhang
Version undefined posted 21 February 2025
Posted
Feb 21, 2025
10.26434/chemrxiv-2025-rfc48-v2
 
Subject: Geography
,
Working Paper
, Title:

Endogenous integration of qualitative factors into quantitative energy transition modelling.

, Authors: Neve Fields, Alycia Leonard, Martin Mutembei, Anne Nganga, Leigh Martindale, Marissa Bergman, Mwansa Kaoma, Mark Howells, Ed Brown
Version undefined posted 22 February 2025
Posted
Feb 22, 2025
10.33774/coe-2025-714lh-v3
 
Subject: Life Sciences
,
Working Paper
, Title:

Ectomycorrhizas and tropical soils: the importance of sampling scale and the recognition of ecosystem feedback

, Authors: David Newbery
Version undefined posted 23 February 2025
Posted
Feb 23, 2025
10.33774/coe-2025-v4t93
 
Subject: Chemistry
,
Working Paper
, Title:

Confirmation of pentavalent carbon in Protonated Methane (CH5+ ): Insights from Molecular Handycam Technique

, Authors: Moumita Dinda, Sudipta Nayak, Arijit Bag
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-fltgh
 
Subject: Chemistry
,
Working Paper
, Title:

Isolated and condensed Ru(In/Sn)6 octahedra clustering together: A mixed valence phase of Ru4Sn20In2O21 with Ru0, Ru+ and Ru2+ species

, Authors: Mohammed S. Abdelbassit, Zhanghao Ren, Paul G. Young, Samuel Yick, Kai Sun, Shanghai Wei, Ziyun Wang, Tilo Söhnel
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-vtj4j
 
Subject: Chemistry
,
Working Paper
, Title:

Key Parameters Controlling Energy Performance in Manganese Cathodes

, Authors: Juhyeon Ahn, Matthew J. Crafton, Krishna Prasad Koirala, Tianyu Li, Raphaële J. Clément, Yanbao Fu, Vincent Battaglia, Dennis Nordlund, Chongmin Wang, Bryan D. McCloskey, Stephen J. Harris, Marca M. Doeff, Guoying Chen
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-mvj7j
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral Amplification of Dynamic Helical Polymers through 1:1 Host-Guest Interactions: Theoretical Models for Majority Rule and Sergeants and Soldiers Effects

, Authors: Nozomu Suzuki, Daisuke Taura, Yusuke Furuta
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-s5ndl
 
Subject: Chemistry
,
Review
, Title:

Sustainable Synthesis of Semicrystalline Polymers: Green Chemistry Approaches and Applications

, Authors: Jerusha Evangeline Nallarajah
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-2rt1f
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Curvature: Block Copolymer Lithography for the Fabrication of Curved Lipid Membranes and Their Impact on Protein-Membrane Interactions

, Authors: Lucia Suarez Menendez, David J. Owen, Nathan R. Zaccai, Armando Maestro, Alberto Alvarez-Fernandez
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-2gk79
 
Subject: Chemistry
,
Working Paper
, Title:

Photo-Electrochemical Geminal α-Fluorosulfenylation of Diazo Compounds through Carbene Radical Anion Intermediate

, Authors: Rajib Maity, Biplab Maji
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-5b068
 
Subject: Chemistry
,
Working Paper
, Title:

Insight into the carbon monoxide reduction reaction on Cu(111) from operando electrochemical X-ray photoelectron spectroscopy

, Authors: Bernadette Davies, Fernando Garcia-Martinez, Christopher Goodwin, David Degerman, Markus Soldemo, Patrick Lömker, Vladimir Grigorev, Sara Boscolo Bibi, Harri Ali-Löytty, Robin Engel, Tony Hansson, Christoph Schlueter, Xiaodong Zou, Anders Nilsson, Sergey Koroidov
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-xj2lf
 
Subject: Chemistry
,
Working Paper
, Title:

Zwitterionic Heavier Pnictinidenes in Redox Catalysis

, Authors: Selwin Fernando, Yi Chen Chan, Sergio Fernandez, Enric Sabater, Graham Tizzard, Simon Coles, Diego M. Andrada, Oriol Planas
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-hx2sd
 
Subject: Chemistry
,
Working Paper
, Title:

Remote C(sp3) gamma- and epsilon-Arylation of Dienones and Trienones via a Co(II)-Catalyzed C–H Functionalization

, Authors: Pooja Sah, Manmohan Kapur
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-1ss78
 
Subject: Chemistry
,
Working Paper
, Title:

Polytypes and Planar Defects Revealed in the Purine Base Xanthine using Multi-Dimensional Electron Diffraction

, Authors: Helen Leung, Royston Copley, Giulio Lampronti, Sarah Day, Lucy Saunders, Duncan Johnstone, Paul Midgley
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-hj8ks
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating Machine Learning-Based Pose Sampling with Established Scoring Functions for Virtual Screening

, Authors: Thi Ngoc Lan Vu, Hosein Fooladi, Johannes Kirchmair
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-96kzg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A systematic and general machine learning approach to build a consistent data set from different experiments: application to the thermal conductivity of methane

, Authors: Matheus Máximo-Canadas, Julio Cesar Duarte, Jakler Nichele, Leonardo Alves, Luiz Octavio Pereira, Rogerio Ramos, Itamar Borges
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2024-g6bsl-v3
 
Subject: Chemistry
,
Working Paper
, Title:

An Azobenzene-Based Liquid Molecular Solar Thermal (MOST) Storage System – Energy Carrier and Solvent

, Authors: Dominic Schatz, Conrad Averdunk, Rouven Fritzius, Hermann A. Wegner
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-7v3ds-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Based Drug Design to Discover Potential Hit Molecules for the Trim71 protein to prevent Congenital Hydrocephalus

, Authors: Veer Bhatia, Divya Ramamoorthy
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-fh2v7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ammoxidation of Unprotected Glycosides: A One-Pot Conversion of Alcohols to Nitriles

, Authors: Jacob-Jan Haaksma, J. Prathap Kaniraj, Wiktoria M. Opielak, June van Egmond, C. Maurits de Roo, Wesley R. Browne, Adriaan J. Minnaard, Martin Witte
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-54r18
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated stochastic simulation of free radical polymerization through a hybrid algorithm

, Authors: Hang Yin, Yinghao Li, Wenxin Wang, Jing Lyu
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-gxj4r
 
Subject: Chemistry
,
Working Paper
, Title:

Natural Deep Eutectic Solvent Acts as an Activator of Laccase Enzyme

, Authors: Madushmita Hatimuria, Jyoti Vishwakarma, Sudhanshu Sharma, Krishna Gavvala, ASHOK PABBATHI
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-2glvd
 
Subject: Chemistry
,
Working Paper
, Title:

Chemodivergent Defluorinative Alkylation and Hydroalkylation of α-Trifluoromethyl Alkenes via Eosin Y Catalysis and EDA Photo-chemistry

, Authors: Tianshuai Zhu, Xinyu Xie, Yue Zhang, Hua-Wei Liu, Jing-Jing Zhang, Zhen Chen
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-z7wcx
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Activity Relationships and Design of Focused Libraries Tailored for Staphylococcus aureus Inhibition

, Authors: Alberto Marbán-González, José L. Medina-Franco
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-nszrb
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Monte Carlo Tree Search for Retrosynthesis

, Authors: Ton Blackshaw, Joseph Davies, Kristian Spoerer, Jonathan Hirst
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-dlrq7
 
Subject: Chemistry
,
Working Paper
, Title:

Antiparallel to Parallel β-Sheet Transition of Amyloid-β is Promoted by the Ability to Incor-porate into Membranes

, Authors: Saskia Heermant, Ronja Rabea Paschke, Jacek Kozuch
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-x204f
 
Subject: Chemistry
,
Working Paper
, Title:

Measurement of electrophoretic forces and the kinetics thereof with an AFM cantilever

, Authors: Cedric Jünemann, Arne Langhoff, Diethelm Johannsmann
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-8k5qn
 
Subject: Chemistry
,
Working Paper
, Title:

A Self-Regulating Shuttle for Autonomous Seek and Destroy of Microplastics from Wastewater

, Authors: Dennis Kollofrath, Florian Kuhlmann, Sebastian Requardt, Yasar Krysiak, Sebastian Polarz
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-s2864
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetic Properties and Large SHG Response of a Chiral Ternary Chalcogenide: Eu2SiSe4

, Authors: Shaun O'Donnell, Ian Leahy, Subhendu Jana, Eric Gabilondo, P. Shiv Halasyamani, Paul Maggard, Rebecca Smaha
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-wzdgc
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemically Resolved Acoustic Emissions from Li-ion Batteries

, Authors: Yash Samantaray, Daniel A. Cogswell, Alexander E. Cohen, Martin Z. Bazant
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-r7vwq
 
Subject: Chemistry
,
Working Paper
, Title:

Physicochemical properties of tire-derived para-phenylenediamine quinones - A comparison of experimental and computational approaches

, Authors: Simon Maguire, Misha Zvekic, Angelina Jaeger, Joseph Monaghan, Erik Krogh, Heather Wiebe
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-q5xk3
 
Subject: Chemistry
,
Working Paper
, Title:

Model for Diffusion Limited Crystal Growth with Growth Rate Dispersion Yielding a System of Discrete Kinetic Modes

, Authors: Douglas Barlow
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-m5kv9
 
Subject: Chemistry
,
Working Paper
, Title:

Development of 5-Amino-2,4,6-triiodoisophthalic Acid Derivatives for Carbamoylation of Amino Acids

, Authors: Kousaku Ohkawa, Tracy Nguyen, Chloe Jin, Hemdeep Kaur, Beatrice Mae Malvar, Rebecca Back, Parisa Khosropour, Shuichi Suzuki, Frank P. K. Hsu, Ichiro Yuki
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-xwj66
 
Subject: Chemistry
,
Working Paper
, Title:

Extended Cycling Stability in an Anodeless Solid-State Battery at Ambient Pressure and Temperature Enabled by a Corroded, Reactive Interphase

, Authors: Piyali Pahari, Srinivasan Ramakrishnan
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-7jc1f
 
Subject: Chemistry
,
Working Paper
, Title:

Alkali diffusion in niobium doped SrTiO3 – Transport pathways, Diffusion coefficients and Activation energies

, Authors: Janek Bernzen, Karl-Michael Weitzel
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-xdph9
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Mn2+ Substitution Effect on the Structural, Magnetic, and Heating Properties of MnxFe3-xO4 Magnetic Nanoparticles

, Authors: Susel Del Sol Fernandez, Oscar F. Odio, Giuseppina Tommasini, Francisco J. Terán, Jesus G. Ovejero, Javier Rubín, Maria Moros
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-16j7d
 
Subject: Chemistry
,
Working Paper
, Title:

Co-Solvent-aided Opto-Thermophoretic Printing of Gold Nanorod Assemblies

, Authors: Ana Jimenez Amaya, Claire Goldmann, Maike Haidasch, Cyrille Hamon, Eric Hill
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-3fvd0
 
Subject: Chemistry
,
Working Paper
, Title:

Optically-Directed Bubble Printing of MXenes on Flexible Substrates Toward MXene-Enabled Wearable Electronics and Strain Sensors

, Authors: Marcel Herber, Eric Hill
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.26434/chemrxiv-2025-3rdmx
 
Subject: Economics
,
Working Paper
, Title:

Optimal Salaries of Researchers with Motivational Emergence

, Authors: Eldar Knar
Version undefined posted 24 February 2025
Posted
Feb 24, 2025
10.33774/coe-2025-6125r
 
Subject: Chemistry
,
Working Paper
, Title:

2,8-Dihalogenated diazocines: versatile reactants for functionalised photoswitches

, Authors: Maximilian J. Notheis, Vigan Sahiti, Vivienne Prangenberg, Johannes S. Kruse, Larissa K. S. von Krbek
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-0s8n8
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of sensitive oligodeoxynucleotides containing acylated cytosine, adenine, and guanine nucleobases

, Authors: Komal Chillar, Rohith Awasthy, Marina Tanasova, Shiyue Fang
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-g5fz9
 
Subject: Chemistry
,
Review
, Title:

Application of Machine Learning Interatomic Potentials in Heterogeneous Catalysis

, Authors: Gbolagade Olajide, Khagendra Baral, Sophia Ezendu, Ademola Soyemi, Tibor Szilvasi
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-vt9qc
 
Subject: Chemistry
,
Working Paper
, Title:

Unleashing the Power of Potassium 2-Ethylhexanoate as a Mild and Soluble Base for Pd-catalyzed C-N Cross-Coupling

, Authors: William Lambert, Stephanie Felten, Nicholas Hadler, N. Ian Rinehart, Rafal Swiatowiec, Gregory Storer, Jeremy Henle, Mark Servos, Cassie Yang, Anna Bay, Pascal Eyimegwu, Shashank Shekhar, John Hartwig
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-59c10
 
Subject: Chemistry
,
Working Paper
, Title:

Rigorous Treatment of Polytopal Rearrangements Reveal Surprising Complexity of Stereoisomerism Configuration Landscapes

, Authors: Peter Canfield, Maxwell Crossley
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-tq00x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Single Semiconductor-Based Photocurrent Switching via Light Intensity for Selective Biosensing

, Authors: Wang Li, Hong Yang, Qiushi Ruan, Sicheng Liang, Yanfei Shen, Songqin Liu, Haibin Zhu, Yuanjian Zhang
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2024-h0b3g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Polytope Formalism for Constitutional Isomerism and Isomerisation

, Authors: Peter Canfield, Maxwell Crossley
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-bts3z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Single molecule peptide synthesis without any side-chain protection using a nanopore and a sub-nanometer positioning system

, Authors: G Sampath
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-gsw8x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

In situ profiling of pen ink degradation on paper using Raman spectroscopy and ToF-SIMS

, Authors: Michael Adamos, William Rickard, Wilhelm van Bronswijk, Georgina Sauzier
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-wkp38-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A new perspective on aqueous electrolyte solutions

, Authors: Gerhard Schwaab, Simone Pezzotti
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-mwspf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Intermolecular Toroidal Conjugation: Circularly Stacked 16 π-Planes Formed by Supramolecular Assembly Enabling Cyclic Charge and Energy Delocalization

, Authors: Daisuke Sakamaki, Koki Tsubono, Minami Nakamura, Daiki Shimizu, Yasunori Matsui, Hiroshi Ikeda, Ko Furukawa, Hideki Fujiwara
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-hnn6b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Redox Tuning of Metals with High Coordination Numbers: Quantifying Systematic Charge Density Effects of Co-encapsulated Cations

, Authors: Julie Leseberg, Thaige Gompa, Emily Mikeska, Allen Oliver, Victor Day, Henry La Pierre, James Blakemore
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2024-sbzfx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Conductive Polymer Coatings Control Reaction Selectivity in All-Iron Redox Flow Batteries

, Authors: Emre B. Boz, Ameya Bondre, Ronald de Bruijne, Antoni Forner-Cuenca
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2024-977zk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting the stability of base-mediated C–H carboxylation adducts using data science tools

, Authors: Maike Eckhoff, Aleria Garcia-Roca, Shubham Deolka, Liudmila Seidel, Matthew S. Sigman, Jonny Proppe
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-5tlrl
 
Subject: Chemistry
,
Working Paper
, Title:

Application Software (Video Game) for Teaching and Studying Thermodynamics

, Authors: Oleksandr Savateev, Yiu Tung Seto, Cheuk Lok Cheng, Jingru Zhuang, Chong Wang
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-dtlp5
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmark Calculations Of Vertical Excitation Energies For Medium-sized Molecules Using Unitary Coupled-Cluster Based Polarization Propagator Theory

, Authors: Huan Yu, Yu Zhang, Junzi Liu
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-tmtfz
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrogen Abundant Hexaazatriphenylene-diaminobenzidine Covalent Organic Framework as Promising Cathode Material in Lithium-ion Battery

, Authors: Korak Kar, Sabiar Rahaman, Yuchen Liu, Bhalerao Krishna, Hiran Jyothilal, Benjamin Duff, Dinachandra Singh, Basker Sundararaju, Kumar Biradha, Ashok Keerthi
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-xf4bl
 
Subject: Chemistry
,
Working Paper
, Title:

Biocompatible photochemistry for the spatiotemporal control of microbial growth

, Authors: Thomas Thorpe, Natasha Kisseroudis, Stephen Wallace
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-qdjjg
 
Subject: Chemistry
,
Working Paper
, Title:

It Matters Where the Heavy Atom is Placed: Optimizing the Spin-Orbital Coupling in Multiresonant TADF (MR-TADF) Emitters and Its Impact on OLED Performance

, Authors: Dongyang Chen, Hui Wang, Feng Huang, David Cordes, Aidan McKay, Kai Wang, Xiao-Hong Zhang, Eli Zysman-Colman
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-m13j8
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating Pt/C and ionomer aggregation dynamics in the manufacturing of Fuel Cell catalyst layers: a discrete element method approach

, Authors: Sourab Barath Vijayaraghavan, Matthias Baldofski, Alejandro A. Franco
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-t5rxn
 
Subject: Mathematics
,
Working Paper
, Title:

Collatz Sequence Proof (1st Way)

, Authors: Taha Muhammad
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.33774/coe-2024-c4f7p-v10
 
Subject: Chemistry
,
Working Paper
, Title:

Comprehensive Analysis of Crystalline Hydrophobic Alkylated Poly(ethyleneimine)s

, Authors: Anand Ayyar, Rodrigo Lima, Adedeji Adelodun, Berit Nagorsen, Jacob Kirkensgaard, Svemir Rudić, Heloisa Bordallo, Jiwoong Lee
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-4prds
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Indolo-Bicyclo[3.1.1]heptane as a Carbazole Isostere through Radical Indolization of Bicyclo[1.1.0]butanes

, Authors: Honggen Wang, Yuan Liu, Jun-Yunzi Wu, Qi Fan, Yifan Yang, Yin Li, Shuang Lin, Jiang-Hao Xue, Qingjiang Li
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-ls2nr
 
Subject: Chemistry
,
Working Paper
, Title:

An Approach to Alkyl Azetidines for Medicinal Chemistry

, Authors: Oleksandr Datsenko, Andrii Baziievskyi, Iryna Sadkova, Bismarck Campos, James Brewster II, John Kowalski, Ronald Hinklin, Pavel Mykhailiuk
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-qmdhg
 
Subject: Chemistry
,
Working Paper
, Title:

Material Characterization of NMC Black Mass from End-of-Life Lithium-Ion Batteries for Enhanced Recycling Strategies

, Authors: Hammad Farooq, Sulalit Bandyopadhyay
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-bqzl2
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing Anisotropic Growth of Liraglutide Oligomers by Native Ion Mobility Mass Spectrometry and Molecular Dynamics Simulation

, Authors: Zhenyu Xi, Syuan-Ting Alex Kuo, Xiao Cong, Xin Yan, David Russell
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-pk208
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing the Reverse Intersystem Crossing (RISC) Rates and Efficiencies of Multi-Resonance Thermally Activated Delayed Fluorescence (MR-TADF) Emitters with a U-shaped Molecular Structure for Solution-Processed OLEDs

, Authors: Shipan Xu, Wenping Liu, An Yan, Xuyang Du, Yuanhui Sun, Junfei Tao, Guijiang Zhou, Zhao Chen, Xiaolong Yang
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-3k0zn
 
Subject: Chemistry
,
Working Paper
, Title:

Open-Source Generation of Sigma Profiles: Impact of Quantum Chemistry and Solvation Treatment on Machine Learning Performance

, Authors: Fathya Salih, Dinis Abranches, Edward Maginn, Yamil Colón
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-jggvw
 
Subject: Chemistry
,
Working Paper
, Title:

Unsupervised Machine Learning Prediction of Novel 1:3 Intermetallic Phase with Synthesis of TbIr3 (PuNi3-type) as Experimental Validation

, Authors: Siddha Sethi, Arnab Dutta, Emil I. Jaffal, Nishant Yadav, Danila Shiryaev, Brian Hoang, Anirudh Machathi, Sangjoon Lee, Karabi Das, Partha Jana, Anton Oliynyk
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-cc0dq
 
Subject: Chemistry
,
Working Paper
, Title:

QC-Augmented GNNs for Few-Shot Prediction of Amorphous Polymer Properties via Multi-Scale Microstructures

, Authors: Yiwen Zhang, Zihao YE, Dejun HU, Shutao QI, Zuobang SUN, Junfeng YANG, Yan MA, Yi ZHANG, Junliang ZHANG, Zhiming LI
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-nt0jx
 
Subject: Chemistry
,
Working Paper
, Title:

Total synthesis of 1’-epi-septosones B and C and the originally assigned structures of spiroetherones A and B

, Authors: Qunlong Zhang, Jingyi Kang, Tiancheng Tan, Guanjun Dong, Jianwei Chen, Zhaoyong Lu
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-9fk9f
 
Subject: Chemistry
,
Working Paper
, Title:

Bicyclic selenenyl sulfides tune stepwise rates of thiol/selenol addition, resolution, and cyclisation, to reveal cellular constraints for bioreductive probes targeting mammalian thioredoxin reductase

, Authors: Lukas Zeisel, Lucas Dessen-Weissenhorn, Karoline C. Scholzen, Andrea Madabeni, Laura Orian, Elias S. J. Arnér, Oliver Thorn-Seshold
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-6vbn2
 
Subject: Chemistry
,
Working Paper
, Title:

Development of simplified, photo-active, and TfR1-targeted poly(β-aminoester)-zwitterion nanovehicles for gene delivery across brain endothelium

, Authors: Maria C Lucana, Shambhavi Pandey, Salvador Borrós, Benjamí Oller-Salvia
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-wcxb8
 
Subject: Chemistry
,
Working Paper
, Title:

From C-F Activation to Catalytic Regioselective Hydrodefluorination of Pyridines with a Bench-Stable Nickel Complex

, Authors: Victor Duran Arroyo, Roger Nunez, Rebeca Arevalo
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2024-cm32m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Dyeing to Know: Harmonising Nile Red Staining Protocols for Microplastic Identification

, Authors: Derek Ho, Julie Masura
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2024-wbf7n-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Ternary Complex Modeling, Induced Fit Docking and Molecular Dynamics Simulations as a Successful Approach for the Design of VHL-mediated PROTACs Targeting the Kinase FLT3

, Authors: Husam Nassar, Anne-Christin Sarnow, Ismail Celik, Mohamed Abdelsalam, Dina Robaa, Wolfgang Sippl
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-2n40d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

MolGen-Transformer: A molecule language model for the generation and latent space exploration of pi-conjugated molecules

, Authors: Chih-Hsuan Yang, Rebekah Duke, Parker Sornberger, Moses Ogbaje, Chad Risko, Baskar Ganapathysubramanian
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-n0tnl
 
Subject: Chemistry
,
Working Paper
, Title:

An Ultra-Potent, Ultra-Economical, Antifreeze Polypeptide

, Authors: Thomas McPartlon, Charles Osborne, Ke Wang, Rachel Detwiler, Konrad Meister, Jessica Kramer
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-gvb4b
 
Subject: Chemistry
,
Working Paper
, Title:

Oligomeric Protein Complexes formed by Beta Amyloid Peptides and Their Molecular Associates

, Authors: Hsiang-Ting Lee, Han-Wen Chang, Yeh-Tung Lin, Shing-Jong Huang, Meng-Hsin Wu, Chang-Shun Tsai, Ling-Hsien Tu, Ming-Che Lee, Yun-Ru Chen, Jerry Chun Chung Chan
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.26434/chemrxiv-2025-lkjws
 
Subject: Law
,
Working Paper
, Title:

Nikah-Halala in India: Practice, Precept, and Perception

, Authors: Mohd Imran
Version undefined posted 25 February 2025
Posted
Feb 25, 2025
10.33774/coe-2025-vv56p
 
Subject: Life Sciences
,
Presentation
, Title:

30 yr Danum: the dynamics of a primary rainforest

, Authors: David Newbery
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.33774/coe-2025-kcc9d
 
Subject: Chemistry
,
Working Paper
, Title:

Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds

, Authors: Yoshifumi Toyama, Takumu Nakamura, Yushin Horikawa, Yuta Morinaka, Yohei Ono, Akiko Yagi, Kenichiro Itami, Hideto Ito
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-np2hv
 
Subject: Chemistry
,
Working Paper
, Title:

A series of Cu(II), Zn(II), Cd(II) and Zr(IV) MOFs with acetylene and triazole functionalized linkers

, Authors: Rashid Siddique, Jack Clegg, Lachlan Packman, John McMurtrie
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-wndjc
 
Subject: Chemistry
,
Review
, Title:

Chemiluminescent 2-Coumaranones: Synthesis, Luminescence Mechanism, and Emerging Applications

, Authors: Stefan Schramm, Tim Lippold, Isabelle Navizet
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-j7zl0
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting the binding sites of alkali atoms on transition metal dichalcogenides with a machine learning model based on electrostatics

, Authors: Raheel Hammad, Soumya Ghosh
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-l3gpw
 
Subject: Chemistry
,
Working Paper
, Title:

On-Surface Synthesis of Oxygen-Doped Analogues of Higher Acenes

, Authors: Irena Padniuk, Otilia Stoica, Rafal Zuzak, Remi Blieck, Mariusz Krawiec, Antonio M. Echavarren, Szymon Godlewski
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-x8b82
 
Subject: Chemistry
,
Working Paper
, Title:

Van der Waals-Enhanced Luminescence for CO2 detection in a Europium Metal-Organic Framework Composite

, Authors: Jose Sanchez Costa, Estefania Fernandez-Bartolomé, Jorge Sangrador-Perez, Javier Urieta-Mora, Ana Martinez-Martinez, Raquel Utrera-Melero, Ruben Turo-Cortes, Carolina Sañudo, Roberta Poloni, David Fairen-Jimenez, Juan Cabanillas-Gonzalez, Nazario Martín
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-vf9l8
 
Subject: Chemistry
,
Working Paper
, Title:

Iron as energy carrier – Mechanistics of iron oxidation and iron oxide reduction deduced from in-situ techniques

, Authors: Jonas Spielmann, Franziska Heck, Max Deutschmann, Miriam Seebach, Daniel Braig, Antonia Streck, Arne Scholtissek, Marcus Rose, Hermann Nirschl, Felix Reinauer, Kathrin Hofmann, Barbara Albert, Ulrike Kramm
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-1gvsm
 
Subject: Chemistry
,
Working Paper
, Title:

Meta effect enables redder and larger Stokes shift chromophores by enhanced aromaticity reversal

, Authors: Cheng Chen, Jiawei Liu, Ivan N. Myasnyanko, Daniil I. Rudik, Anita H. Adams, Alice R. Walker, Mikhail S. Baranov, Chong Fang
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-56x1p
 
Subject: Chemistry
,
Working Paper
, Title:

Realizing the magneto-structural correlation of a highly anisotropic Fe(III) porphyrin complex through ab-initio approaches

, Authors: Mayurika Das, Sujit Kamilya, Subhankar Mandal, Sher Singh Meena, Jiri Pechousek, Radovan Herchel, Abhishake Mondal
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-lwh8m
 
Subject: Chemistry
,
Working Paper
, Title:

Polyelectrolyte brush at thermal equilibrium: A density functional theory approach

, Authors: Mike Edwards
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-tfls5-v3
 
Subject: Chemistry
,
Working Paper
, Title:

How does the molar ratio between two anions affect the properties of surface active double salt ionic liquids (DSILs)?

, Authors: Tomasz Rzemieniecki, Damian Krystian Kaczmarek, Witold Stachowiak, Katarzyna Marcinkowska, Michał Niemczak
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2024-rq2ls-v2
 
Subject: Chemistry
,
Review
, Title:

N- to C-Peptide Synthesis, Arguably the Future for Sustainable Production

, Authors: Kinshuk Ghosh, William. D. Lubell
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-3n4kd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Chiral δ-Aminoboronic Esters by Enantioselective Hydrogenation of 1,2-Azaborines

, Authors: Jiangpeng Liu, Yuping Dai, Devon Robinson, Bo Li, Karinne Miqueu, Shih-Yuan Liu
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2024-tk90h-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Parallel On-the-Fly Crystal Algorithm for Reaction Discovery in Large and Complex Molecular Systems

, Authors: Ankit Pandey, Gustavo J. Costa, Alam Mushfiq, Bill Poirier, Ruibin Liang
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-9hcdq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Defining stereoisomeric configuration spaces and subspaces for arbitrary coordination centres ABn

, Authors: Peter Canfield, Maxwell Crossley, Jonathan Spreer, Stephan Tillmann
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-gc7s6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Vapor Deposited Si:P Epitaxial Growth for DRAM Bit Contact

, Authors: Protyush Sahu, Jay Brown, Silvia Borsari, Jeff Hull
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-dkw14-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Process Characterization of Epitaxial SiP [100] and [110] Films

, Authors: Protyush Sahu, Madhana Sunder, Jesse Wensel, Silvia Borsari
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-484mk-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Heated-to-Frozen Electrochemical Interphases Formation Strategy Enables Stable 4.5 V Li-metal Batteries in Ether-based Electrolyte

, Authors: Yuwei Qian, Qingyu Dong, Ruowei Yi, Wujun Zhang, Xuechun Wang, Haiyang Zhang, Hui Shao, Patrice Simon, Yanbin Shen, Liwei Chen
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-pz9m7
 
Subject: Chemistry
,
Working Paper
, Title:

Large Thermo-Optic Blue Shift in a Silicon Micro-ring Resonator using Fe/Co Bistable Molecule

, Authors: Sujit Kamilya, Aneesh Dash, Viphretuo Mere, Ashutosh Mohanty, Shankar Kumar Selvaraja, Akshay Naik, Abhishake Mondal
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-8l031
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Uncertainty Quantification in Molecular Machine Learning: A Comparative Study of Deep Evidential Regression and Ensembles with Posthoc Calibration

, Authors: BIDHAN CHANDRA GARAIN, Max Pinheiro Jr., Matheus O. Bispo, Mario Barbatti
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-fx019
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetic sponge like behavior in a heterobimetallic cyanide bridged 1D ladder chain

, Authors: Mayurika Das, Sujit Kamilya, Sakshi Mehta, Radovan Herchel, Abhishake Mondal
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-tdl69
 
Subject: Chemistry
,
Review
, Title:

Mechanisms of chiral induction in foldamers

, Authors: Govinda Prasad Devkota, Roshan Lama, C. Scott Hartley
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-l0pld
 
Subject: Chemistry
,
Working Paper
, Title:

Stepwise Spin-State Switching with Symmetry Breaking and ON/OFF Photo-switching in Iron(II) Complex

, Authors: Sakshi Mehta, Sujit Kamilya, Sounak Ghosh, Debopam Sarkar, Yanling Li, Rodrigue Lescouëzec, Mathieu Rouzières, Jiří Pechoušek, Pradip Kumar Mondal, Irshad Kariyattuparamb Abbas, Boby Joseph, Subrata Ghosh, Abhishake Mondal
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-67h0z
 
Subject: Chemistry
,
Working Paper
, Title:

Non–linear bonding trends in maleonitrile-1,2–dithiolate complexes of the transuranium actinides (An(3+) = Np(3+) – Cf(3+) excl. Bk(3+))

, Authors: Nicholas Beck, Cristian Celis-Barros, Madeline Martelles, Joseph Sperling, Zhuanling Bai, Jacob Brannon, Daniela Gomez Martinez, Zachary Huffman, Brian Long, Kacy Mendoza, Robert Merinsky, Brian Rotermund, Todd Poe, Thomas Albrecht
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-7nv75
 
Subject: Chemistry
,
Working Paper
, Title:

Electrocatalytic N2 to N2H4 Conversion Using a Co(III) Dipyrrin-Dicarboxamide Complex

, Authors: Soumadip Das, Navonil Chakrabarti, Bipul Mondal, Sayam Sen Gupta
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.26434/chemrxiv-2025-30wlz
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Security Council in Its Entirety: Unveiling 80 Years of Deliberation through the UNSC Meetings and Speeches Dataset

, Authors: Takuto Sakamoto, Tomoyuki Matsuoka, Hiroto Ito
Version undefined posted 26 February 2025
Posted
Feb 26, 2025
10.33774/apsa-2025-knmbk
 
Subject: Chemistry
,
Review
, Title:

Exploring Multi-functionality in Spin Crossover Complexes: A Special Emphasis on Synergistic Luminescence and Dielectric Properties

, Authors: Bijoy Dey, Debopam Sarkar, Sounak Ghosh, Sakshi Mehta, Krishna Kaushik, Subrata Ghosh, Abhishake Mondal
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-99d55
 
Subject: Chemistry
,
Working Paper
, Title:

A Database of Steric and Electronic Properties of Heteroaryl Substituents

, Authors: Turki Alturaifi, Grace Scofield, Shengchun Wang, Peng Liu
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-8nrh7
 
Subject: Chemistry
,
Working Paper
, Title:

Non-reciprocal Chemotactic Movement in Enzyme Cascade Under Flow-Free Conditions

, Authors: Aditya Sapre, Xiaotian Lu, Yu-Ching Tseng, Mariam Monsour, Niladri Sekhar Mandal, Ayusman Sen
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-73fkw
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding the Structure-Activity Relationship of the Dopamine D3 Receptor-Selective Ligands Using Machine and Deep Learning Approaches

, Authors: Sung Joon Won, Benjoe Rey Visayas, Kuo Hao Lee, Rey Capangpangan, Lei Shi
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-qtp1q
 
Subject: Chemistry
,
Working Paper
, Title:

Hemp proteins conjugated with green tea polyphenol extract form de novo plant-sourced emulsifiers suitable for nanodelivery systems bearing lipophilic psychopharmaceuticals

, Authors: William Charles Hosie, Mary Augustina Egbuta, Kasra Razmkhah, Behzad Bolandi, Khalilalrahman Dehvari, Anton Homon, Aleena Kappadakunnel, Jonathan J. Simone, Abhinandan Banerjee, John Frederick Trant
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-pjfn9
 
Subject: Chemistry
,
Working Paper
, Title:

Image Distinguishability Analysis Testing through Principal Components and its Application to Hot Spot Scale Invariance

, Authors: Matthew Kroonblawd, Amitesh Maiti, Laurence Fried
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-dl116
 
Subject: Chemistry
,
Working Paper
, Title:

Lanthanide Selective Biomimetic Nanopores

, Authors: Harekrushna Behera, Tyler Duncan, Laxmicharan Samineni, Hyeonji Oh, Ankit Jogdand, Arnav Karnik, Raman Dhiman, Aida Fica, Tzu-Yun Hsieh, Venkat Ganesan, Manish Kumar
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-h4bgm
 
Subject: Chemistry
,
Working Paper
, Title:

Site- and stereoselective enzymatic halogenation of terpenoids by substrate anchoring and protein engineering

, Authors: Colby S. Kayrouz, Jenna L. Manske, Martí Garçon, Isaac A. Joyner, Yuehan Wang, Yifei Ge, Alexandra E. Paton, Alison R. H. Narayan, John F. Hartwig
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-6x911
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable multigram practical total syntheses of amatoxins: amaninamide and α-amanitin for new antibody–drug conjugates

, Authors: Guodu Liu, Xinlong Yan, Zongwei Li, Yanyan Guo, Tao Zhang, Lujie Ning, Cunxi Zhang, Longke Qiao, Zhonghe Cui, Xiangdong Zhang, Yu Feng, Yongmin Zhang
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-klds2
 
Subject: Chemistry
,
Working Paper
, Title:

Conversion of Waste Polyolefins into Liquid Fuels via a Two-Step Thermal Oxidation and Photocatalytic Process

, Authors: Hyotaik Kang, Siting Ni, Inna Perepichka, R. Bruce Lennox, Chao-Jun Li
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-f6hnk
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models

, Authors: Qiyuan Zhao, Yunhong Han, Duo Zhang, Jiaxu Wang, Peichen Zhong, Taoyong Cui, Bangchen Yin, Yirui Cao, Haojun Jia, Chenru Duan
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-mt6hc
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Hydrogen Production on Crystalline-Amorphous Heterostructured Cobalt Boride-Phosphite Electrocatalyst

, Authors: Jean Marie Vianney Nsanzimana, Charles Otieno Ogolla, Nastaran Farahbakhsh, Yilmaz Sakalli, Marco Hepp, Jonas Frohne, Walter Sebastian Scheld, Manuela Sonja Killian, Benjamin Butz
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-9hfb5
 
Subject: Chemistry
,
Working Paper
, Title:

A set of Quantum–Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches

, Authors: Razan Daoud, Simone Veglianti, Anna Piras, Abderrahmane Semmeq, Samuele Giannini, Giacomo Prampolini, Daniele Padula
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-chsf0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photo-induced Metal-to-Metal Electron Transfer in a Cyanido bridged [FeCo] Chain: Role of Bridging Cyanide and Solvent

, Authors: Sakshi Mehta, Sujit Kamilya, Subrata Ghosh, Pierre Dechambenoit, Mathieu Rouzières, Corine Mathonière, Rodolphe Clérac, Abhishake Mondal
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-vzqwj
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning Magnetic Anisotropy and Luminescence Thermometry in a Series of Dysprosium Complexes containing β-diimine Ligand

, Authors: Sukanya Bagchi, Sakshi Mehta, Sujit Kamilya, Mathieu Rouzières, Radovan Herchel, Mikhail Kiskin, Subrata Ghosh, Abhishake Mondal
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-tnhwp
 
Subject: Chemistry
,
Working Paper
, Title:

A Light-controlled, Solvent-induced Spin-State Switching in a 3D Hexagonal Heterobimetallic Network

, Authors: Krishna Kaushik, Suprabha Pradhan, Sakshi Mehta, Sujit Kamilya, Rodrigue Lescouëzec, Pradip Kumar Mondal, Mathieu Rouzières, Jiri Pechousek, Yanling Li, Abhishake Mondal
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-q8wkl
 
Subject: Chemistry
,
Working Paper
, Title:

A near-infrared-II molecular probe for early diagnosis of acute kidney injury induced by diverse etiologies

, Authors: Yiqi Zhu, Dingyuan Yan, Jun Zhu, Hongbo Xu, Weijie Zhang, Jianquan Hou, Dong Wang, Ben Zhong Tang
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-g6kg4
 
Subject: Chemistry
,
Working Paper
, Title:

The Role of Ethanol in Lithium-Mediated Nitrogen Reduction

, Authors: Olivia Westhead, Romain Tort, James O. Douglas, Michele Conroy, Bethan J. V. Davies, Anna Winiwarter, Aishah Faisal, Matthew Spry, Artem Khobnya, Mary P. Ryan, Maria-Magdalena Titirici, Rhodri Jervis, Ifan E. L. Stephens
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-q3fjz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A theoretical study on the strain energy change from polyarylated carbon nanorings to carbon nanobelts: a comparison with reported cases

, Authors: Cheng-chau Chiu, Ming-Jia Chiu, Kwan Yin Cheung
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-14nsz
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-FP: A hybrid molecular fingerprint to encode metal-based approved drugs

, Authors: EDGAR LÓPEZ LÓPEZ, José L. Medina-Franco
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-6zh2h
 
Subject: Chemistry
,
Working Paper
, Title:

Zero-field NMR and millitesla-SLIC spectra for > 200 molecules from density functional theory and spin dynamics

, Authors: Iuliia Mandzhieva, Franziska Theiss, Xingtao He, Adam Ortmeier, Anuja Koirala, Stephen McBride, Stephen DeVience, Matthew Rosen, Volker Blum, Thomas Theis
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-fvm85-v2
 
Subject: Chemistry
,
Working Paper
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Tetracarboxylic aromatic acid-based self-healing metallosupramolecular flexible nano-scaffold: Exploring rheological features, stimuli-responsiveness and anti-bacterial efficiency

, Authors: Biswajit Dey, Subhajoy Sadhu, DEBLINA SAHA, Sai Jyoti Behera, Anupam Kundu, Ritu Ranjan Kumar, Suresh Kumar Yatirajula, Jnanendra Rath
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-pqdvc
 
Subject: Chemistry
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Working Paper
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Direct Synthesis of Amorphous Metal–Organic Frameworks from Nanoclusters

, Authors: Nanna Lærke Baun, Sabina Svava Mortensen, Heloisa Bordallo, Kirsten Jensen, Adam Sapnik
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-psg4n
 
Subject: Chemistry
,
Working Paper
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Complex-variable equation-of-motion coupled-cluster singles and doubles theory with the resolution-of-the-identity approximation

, Authors: Simen Camps, Cansu Utku, Joel Creutzberg, Thomas-C. Jagau
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-xm4jc
 
Subject: Chemistry
,
Working Paper
, Title:

Nano-Fanowmen: Fano-Resonant Plasmonic Nanoparticles

, Authors: Gyeong-Hwan Kim, Mouhong Lin, Jeong-Wook Oh, Jae-Myoung Kim, Hohsuk Noh, Dongha Shin, Jung-Hoon Lee, Jwa-Min Nam
Version undefined posted 27 February 2025
Posted
Feb 27, 2025
10.26434/chemrxiv-2025-qfmvh
 
Subject: Chemistry
,
Working Paper
, Title:

An Assessment of drying agents for use in desiccator for teachers, undergraduate and graduates

, Authors: Marcus Herbig
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-pcfbv
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking Classical Molecular Dynamics Simulations for Computational Screening of Lithium Polymer Electrolytes

, Authors: Jurgis Ruza, Pablo Leon, KyuJung Jun, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-q4822
 
Subject: Chemistry
,
Working Paper
, Title:

Protecting-group-free synthesis of Lycojapomine alkaloids enabled by radical dearomatization of a pyrrole

, Authors: Benjamin M. Gross, Brian M. Stoltz
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-d3n5f
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning surrogate models for mechanistic kinetics: Embedding atom balance AND positivity

, Authors: Tim Kircher, Martin Votsmeier
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-6p1m2
 
Subject: Chemistry
,
Working Paper
, Title:

Appraisal of a Fistful of Methods for Producing Porous Biochar

, Authors: Huifeng Wang, Mengqi Tang, Ali Abdelaal, Mohamed El Garah, Khouloud Jlassi, Aboubakr M. Abdullah, MOHAMED CHEHIMI
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-b4rbp
 
Subject: Chemistry
,
Working Paper
, Title:

Production of high-value antibiotics by Teredinibacter turnerae using paper- and plant-based waste products

, Authors: Marina Gerton, Marvin Altamia, Daniel Distel, Bailey Miller, Eric Schmidt
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-pk16s
 
Subject: Chemistry
,
Working Paper
, Title:

Ion-Exchange-Mediated Pre-Association Gates Interfacial PCET

, Authors: Noah B. Lewis, Joseph Kelly, Joel G. Gardner, Neil K. Razdan, Shane Ardo, Tom Markland, Yogesh Surendranath
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2024-8vb2n-v3
 
Subject: Chemistry
,
Working Paper
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Ultrafast laser synthesis of zeolites

, Authors: Sezin Galioglu, Mehdi Hagverdiyev, Meryem M. Doğan, Özgün Yavuz, Ghaith Makey, Ü. Seleme Nizam, Aladin Şura, Mesut Laçin, Burcu Akata Kurç, Parviz Elahi, F. Ömer Ilday, Serim Ilday
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-7pbsd-v2
 
Subject: Chemistry
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Working Paper
, Title:

Molecular orientation and stratification revealed in RNA-lipid nanoparticles using Cryogenic Orbitrap Secondary Ion Mass Spectrometry (Cryo-OrbiSIMS) depth profiling

, Authors: Anna Kotowska, Michael Fay, Julie Watts, Ian Gilmore, David Scurr, Alaina Howe, Vladimir Capka, Corey Perez, Devin Doud, Siddharth Patel, Mark Umbarger, Robert Langer, Morgan Alexander
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-zxkf1-v3
 
Subject: Chemistry
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Working Paper
, Title:

Enantioselective Synthesis of Complex Carbocycles by Donor/Donor Carbenes C-H insertion

, Authors: Jose Ruiz, Dylan Turner, Mingchun Gao, Wentao Guo, Tania Shahvali, Emily Jimenez Andrade, Kevin Kong, Beck Miller, James Fettinger, Matthew Sigman, Dean Tantillo, Jared Shaw
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-b1fh6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An exhaustive mapping of zeolite-template chemical space

, Authors: Mingrou Xie, Daniel Schwalbe-Koda, Yolanda M. Semanate-Esquivel, Estafanía Bello-Jurado, Alexander Hoffman, Omar Santiago-Reyes, Cecilia Paris, Manuel Moliner, Rafael Gómez-Bombarelli
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2024-d74sw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanical, Thermal, and Rheological Properties of Fish-Porcine Gelatin Microparticle Composites for Advanced 3D Biofabrication

, Authors: Syed M. Q. Bokhari, Mecit A. Alioglu, Grace L. Voronin, Jeffrey M. Catchmark
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2024-4n4jc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

π holes in water: Solvation of phenol, aniline, and p-nitrophenol substituted aromatics.

, Authors: Camilla Di Mino, Daniel T. Bowron, Thomas F. Headen, Michael A. Wilkinson, Tristan G. A. Youngs, Andrea Sella, Neal T. Skipper
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-gbmqn
 
Subject: Chemistry
,
Working Paper
, Title:

Radical Formation by Direct Single Electron Transfer between Nitrobenzene and Anionic Organo Bases

, Authors: Shivaprasad A. Balahoju, Nicholus Bhattacharjee, Luis Lezama, Xabier Lopez, Pablo Salcedo-Abraira, Antonio Rodríguez-Diéguez, DANIEL RETA
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-8hnzz
 
Subject: Chemistry
,
Working Paper
, Title:

Polariton Mediated Electron Transfer under the Collective Molecule-Cavity Coupling Regime

, Authors: Eric Koessler, Arkajit Mandal, Andrew Musser, Todd Krauss, Pengfei Huo
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-s1r54
 
Subject: Chemistry
,
Working Paper
, Title:

Towards the Computational Design of Single Atom Alloys for Methane to Ethylene Conversion

, Authors: Chengyu Zhou, Manish Kothakonda, Qing Zhao
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-4t8fh
 
Subject: Chemistry
,
Working Paper
, Title:

Introducing Ylides as Charge-Neutral Termini for Poly(Ethylene Glycol) with Applications in Nanomedicine

, Authors: Dulce M. Sánchez-Cerrillo, Kouichi Shiraishi, Lucía Mallen-Huertas, Remi Peters, Daniela A. Wilson, Kevin Neumann
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-q9s64
 
Subject: Chemistry
,
Working Paper
, Title:

Aromatic regions and Charges of amino acids Govern the Phase-separating Behavior of Dimeric Peptides

, Authors: Jiahua Wang, Manzar Abbas, Yuening Qiu, Yao Zhao, Junyou Wang, Yuehua Li
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-smqxl
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Triplet Harvesting in Inverted Singlet-Triplet Gap Molecules through Mechanistic Understanding

, Authors: Laure de Thieulloy, Leonardo Evaristo de Sousa, Piotr de Silva
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-r09n8
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding metal catalyzed arene C–H borylation beyond boronate esters

, Authors: Milan Bisai, Justyna Losiewicz, Gary Nichol, Andrew Dominey, Stephen Thomas, Michael Ingleson, Stuart Macgregor
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-15v1c
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated Design of Gold Nanoparticles with Enhanced Plasmonic Performance

, Authors: José Luis Montaño-Priede, Anish Rao, Ana Sánchez-Iglesias, Marek Grzelczak
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-fckd0
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Driven Constitutional Pump Powers Far-From-Equilibrium Dynamic-Covalent Behavior

, Authors: Huiping Wu, Pengyun Li Li, Ruirui GU, Chong Li, Rui Wang, Wei-Hong Zhu, He Tian, Jean-Marie Lehn, Ben L. Feringa, Da-Hui Qu
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-wjvld
 
Subject: Chemistry
,
Review
, Title:

Removal of Phenol derivatives from water systems with the use of silver nanoparticles

, Authors: VARUN MALI
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-gzq66
 
Subject: Chemistry
,
Working Paper
, Title:

Gram-scale Synthesis of Dibenzo[a,e]pentalenes from Trialkyl(phenylethynyl)silanes via Organosodium Intermediates

, Authors: Ayane Sato, Takuya Kuwabara
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-8dmvw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

RefineScore: Improving Ligand Docking Accuracy and Interpretability by Predicting MDN Corrective Physical Interactions

, Authors: Jinmei Pan, Wei Liu, Jintao Zhu, Jiahan Zhou, Weilin Zhang, Haoyu Lin, Geng Dong, Lirui Lin, Youjun Xu, Jianfeng Pei
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-kbhfb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoflow Size Exclusion Chromatography – Native Mass Spectrometry of Intact Proteoforms and Protein Complexes

, Authors: Ziran Zhai, Thomas Holmark, Annika A. M. van der Zon, Andrea F.G. Gargano
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2024-587vq-v3
 
Subject: Chemistry
,
Working Paper
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Frontier Orbital Changes Induce Slow-down of Excited State Population Dynamics in Thiopyridone Isomers

, Authors: Sambit Kumar Das, Douglas Garratt, Kelly Gaffney, Michael Odelius
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-cjls7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Innovative synergistic solvent-catalyst paradigm for sustainable allylic C–H functionalization

, Authors: Rui Wang, Long Zhang, Sanzhong Luo
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.26434/chemrxiv-2025-18cp7
 
Subject: Mathematics
,
Working Paper
, Title:

The ABS Formula: A Deterministic Model for Predicting Prime Gaps

, Authors: Abdeslam Aabidi El Moussati
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-8sbq7
 
Subject: Engineering
,
Working Paper
, Title:

Enhancing Power System Flexibility and Renewable Energy Integration: An Integrated OSeMOSYS-FlexTool Modelling Study of Energy Storage in Indonesia’s Power Sector

, Authors: Mutiara Irbah, Raphael Slade, Mark Howells, Neve Fields, Fernando Plazas-Niño, Emma Richardson
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-dh77k
 
Subject: Engineering
,
Working Paper
, Title:

Empowering Indonesia’s Energy Transition Planning through Long-term Energy System Modelling: A Technoeconomic Dataset

, Authors: Mutiara Irbah, Raphael Slade, Mark Howells, Neve Fields, Fernando Plazas-Niño, Emma Richardson
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-vf910
 
Subject: Engineering
,
Working Paper
, Title:

Resilient Pathways for Zambia's Power System: Modelling a Low-Carbon Future Using the PyPSA-Earth-Zambia Framework

, Authors: Kumbuso Joshua Nyoni, Albert Solà Vilalta, Anas Abuzayed, Albert Chitandula, Edna Kabala, Caesar Cheelo, Ruth L Maliye
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-krzs8-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Polynomial Equations of Bicomplex Numbers

, Authors: JOGENDRA KUMAR
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-skk37
 
Subject: Mathematics
,
Working Paper
, Title:

The Network of Cosmic Systems keeps the Universe as Stable

, Authors: Chinnaraji Annamalai
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-3mpb9-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Induced gravity in the space of momentum

, Authors: Vitaly Kuyukov
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-lff5q
 
Subject: Computer Science
,
Working Paper
, Title:

Enhancing Transformer with GNN Structural Knowledge via Distillation: A Novel Approach

, Authors: Zhihua Duan, Jialin Wang
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-zm7ks
 
Subject: Engineering
,
Working Paper
, Title:

Assessing proposed decarbonisation strategies in the Lao PDR using open-source climate, land, energy and water systems (CLEWs) modelling

, Authors: Annie Flint Smith, Kane Alexander, Mark Howells, Fernando Plazas-Niño
Version undefined posted 28 February 2025
Posted
Feb 28, 2025
10.33774/coe-2025-vzm1h
 
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