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2025
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Subject: Physics and Astronomy
,
Working Paper
, Title:

Unexpected connection of the parameters of the observed Universe with the fine structure constant "alpha".

, Authors: Mykola Kosinov
Version undefined posted 01 June 2025
Posted
Jun 01, 2025
10.33774/coe-2025-8m9cf
 
Subject: Mathematics
,
Working Paper
, Title:

Euler Perfect Box 2nd Way

, Authors: Taha Muhammad
Version undefined posted 01 June 2025
Posted
Jun 01, 2025
10.33774/coe-2024-92khz-v3
 
Subject: Chemistry
,
Working Paper
, Title:

ADMETrix: ADMET-Driven De Novo Molecular Generation

, Authors: Nikolaos Mourdoukoutas, Aigli Korfiati, Vasilis Pitsikalis
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-3x5nq
 
Subject: Chemistry
,
Working Paper
, Title:

Spin-Polarized Electron Transport Promotes the Oxygen Reduction Reaction

, Authors: Priscila Vensaus, Yunchang Liang, Jean-Philippe Ansermet, Jonas Fransson, Magalí Lingenfelder
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-xvbgs
 
Subject: Chemistry
,
Working Paper
, Title:

Comment on “Air-stable double halide perovskite Cs2CuBiBr6: synthesis and memristor application” by A. Betal, A. Chetia, D. Saikia, K. Karmakar, G. Bera, N. V. Dambhare, A. K. Rath and S. Sahu, Phys. Chem. Chem. Phys., 2025, 27, 3150

, Authors: Lixia Xiao, Junwei Guo, Gang Tang, Zewen Xiao
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-tv3f1
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Free Iridium–Luciferase Conjugates Enable Carbon-Centered Radical Proximity Labeling and Deep-Tissue Microenvironment Mapping

, Authors: Afsaneh Taheri Kal-Koshvandi
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-5hlv4
 
Subject: Chemistry
,
Working Paper
, Title:

Rotational, vibrational, conformational and diastereomeric dimer cooling of aminoalcohols in soft supersonic expansions and the monohydrate of dimethylaminoethanol

, Authors: Eaindra Lwin, Mathis Gölz, Nils Lüttschwager, Martin Suhm, Silvan Käser, Valerii Andreichev, Magalie Brandes, Markus Meuwly
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-11msv
 
Subject: Chemistry
,
Working Paper
, Title:

Increasing trustworthiness of machine learning-based drug sensitivity prediction with a multivariate random forest approach

, Authors: Lisa-Marie Rolli, Lea Eckhart, Andrea Volkamer, Hans-Peter Lenhof, Kerstin Lenhof
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-ml78s
 
Subject: Chemistry
,
Working Paper
, Title:

Practical Guidelines for Optimising Free Energy Calculations Using Thermodynamic Integration

, Authors: Adam Knisch, Bruno Falcone, Jonathan Hirst
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-z7fk4
 
Subject: Chemistry
,
Working Paper
, Title:

Characterisation of small RNA-based therapeutics and their process impurities by fast, sensitive, and reproducible liquid chromatography high resolution mass spectrometry

, Authors: Silvia Millán-Martín, Felipe Guapo, Sara Carillo, Ulrik Mistarz, Ken Cook, Jonathan Bones
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-sb6xg
 
Subject: Chemistry
,
Working Paper
, Title:

Modelling stacking disorder in graphite

, Authors: Emma Wolpert, William Skinner, Minxin Shenlu, Johannes Lischner, Kim Jelfs
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-fnjv1
 
Subject: Chemistry
,
Working Paper
, Title:

Explicitly correlated geminal-based perturbation theory

, Authors: Éva Zsuzsanna Mihálka, Jozef Noga
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-rrz7n
 
Subject: Chemistry
,
Working Paper
, Title:

Genipin crosslinks purified commercial pig gastric mucin to obtain a biomimetic mucus gel

, Authors: Mar Collado-González, Mengqi Wu, Anthony Buckley, Serena Berberolli, Francisco M. Goycoolea
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-54n9b
 
Subject: Chemistry
,
Working Paper
, Title:

Nucleation begins before supersaturation: glassy solute aggregates dominate solution structure

, Authors: Zhiyu Liao, Ankita Das, Ikhlas Ahmed, Immacolata Abate, Ian MacLaren, Rebecca Beveridge, Klaas Wynne
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-x4kh4
 
Subject: Chemistry
,
Working Paper
, Title:

Towards the Bioremediation of Nylon Waste Materials: Genome Mining Leads to the Identification of a Thermostable Laurolactamase from Thermopolyspora flexuosa

, Authors: Maria E. Cleveland, Amir R. Bunyat-zada, Esther R. Hoffman, Graeme W. Howe
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-pmqjb
 
Subject: Chemistry
,
Working Paper
, Title:

Fast, general-purpose metabolome analysis by mixed-mode liquid chromatography – mass spectrometry

, Authors: Mario Correia, Alaa Othman, Nicola Zamboni
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-5bcd6
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of excess enthalpy in binary mixtures through probabilistic matrix completion, with a GP enforced smoothness constraint

, Authors: Garren Hermanus, Tobi Louw, Jamie Cripwell
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-dh271
 
Subject: Chemistry
,
Working Paper
, Title:

Giving an Enzyme Scissors: Serotonin Derivatives as Potent Organocatalytic Switches of DNA Repair Enzyme OGG1

, Authors: Marek Varga, Florian Ortis, Emily Hank, Kaixin Zhou, Emma Scaletti Hutchinson, Alicia del Prado, Elisée Wiita, Alice Eddershaw, Natalie Rudolfova, Ingrid Almlöf, Stella Karsten, Kirill Mamonov, Kirsty Bentley, Olov Wallner, Evert J Homan, Martin Scobie, Thomas Helleday, Pål Stenmark, Miguel de Vega, Allan J. B. Watson, Maurice Michel
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-vfkd9
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials

, Authors: Jiawei Guo, Marcos Calegari Andrade, Christopher Hahn, Ambarish Kulkarni, Nitish Govindarajan
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-076cz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Post-Pretrained LLMs for Inverse Engineering High-Capacity Hydrogen-Storage Metal-Organic Frameworks: From Virtual Structures to Synthesized Materials

, Authors: Zhimeng Liu, Yuqiao Su, Hao Wang, Tao Ban, Lingmeng Wang, Shaopeng Lu, Zuoshuai Xi, Wenqing Li, Yujie Guo, Changan Wang, Hongyi Gao, Ge Wang
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2024-xz77q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Universal Method for Creating LCST-type Thermoresponsive Simple Polymer Coacervates

, Authors: Sun Haowei, Takafumi Enomoto, Ryo Yoshida
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-cdhf0-v2
 
Subject: Chemistry
,
Review
, Title:

From Membrane Composition to Antimicrobial Strategies: Experimental and Computational Approaches to AMP Design and Selectivity

, Authors: Paolo Rossetti, Marius Trollmann, Christina Wichmann, Thomas Gutsmann, Christian Eggeling, Rainer Böckmann
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2024-7b2j2-v3
 
Subject: Chemistry
,
Working Paper
, Title:

MicroscopyGPT: Generating Atomic-Structure Captions from Microscopy Images of 2D Materials with Vision-Language Transformers

, Authors: Kamal Choudhary
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-gblz7
 
Subject: Chemistry
,
Working Paper
, Title:

Analytic gradients and periodic boundary conditions for direct reaction field polarizable QM/MM

, Authors: Thomas Fay, Miquel Huix-Rotllant, Nicolas Ferré
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-1jrbx
 
Subject: Chemistry
,
Working Paper
, Title:

Vibrational signatures of carboxylic acid microhydration for the HyDRA project

, Authors: Noah Evers, Sophie Schweer, Martin Suhm
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-4h1fk
 
Subject: Economics
,
Working Paper
, Title:

Dynamic Strategic Optimization Model (DSOM): A Game-Theoretic Framework for Competitive Strategy Under Uncertainty

, Authors: MOHD REDZUAN MOHD SOFIAN
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.33774/coe-2025-v3r4d
 
Subject: Economics
,
Working Paper
, Title:

Drivers of Financial Inclusion in the United States: A Structural and Empirical Analysis

, Authors: MOHD REDZUAN MOHD SOFIAN
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.33774/coe-2025-mw9zk
 
Subject: Chemistry
,
Working Paper
, Title:

Evidence for Iron Incorporation onto Nickel Anodes from in situ and operando Resonantly Enhanced Second Harmonic Generation Spectroscopy

, Authors: Raiden Speelman, Aaron Shoemaker, Bryan Hunter, Franz Geiger
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-xg5bz
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Physicochemical Characterization of 6-Trifluoromethyl Spiro[3.3]heptane Building Blocks

, Authors: Oleksandr S. Olifir, Pavlo R. Lenda, Anton V. Chernykh, Daria Klymenko, Oleksandr S. Liashuk, Svetlana V. Shishkina, Ivan Kondratov, Oleksandr O. Grygorenko
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-f4fs5
 
Subject: Chemistry
,
Working Paper
, Title:

Annulation methods toward the total synthesis of thermorubin: Construction of the AB and BCD ring systems

, Authors: Zachary Kohanov, Andrew Lowell
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-lkzln
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen Diffusion in the Confinement between Graphene and Ni(111): Full-Dimensional Simulation of Nuclear Quantum Effects

, Authors: Julien Steffen
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-3kz5b
 
Subject: Chemistry
,
Working Paper
, Title:

Utilizing Engineered Monobodies for the Electrochemical Quantification of Lysozyme

, Authors: Sunanda Dey, Andrew Naser, Daniel Woldring, David Hickey
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-n0xb5
 
Subject: Chemistry
,
Working Paper
, Title:

Simulation of Hydrogen Storage in MOF-5 and Li-MOF-5 by Ring Polymer Molecular Dynamics on Self-Consistently Fine-Tuned Machine-Learned Potentials

, Authors: Julien Steffen
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-g81lc
 
Subject: Chemistry
,
Working Paper
, Title:

Untargeted discovery and Localization of Isomerized Residues in Neuropeptides

, Authors: Samuel Okyem, Stanislav Rubakhin, Satirtha Protya, Caden Gunnarson, Jonathan Sweedler
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-wnx18
 
Subject: Chemistry
,
Working Paper
, Title:

PSYMOF: Computational Workflow Enabling Systematic Post-Synthesis Modification of Metal-Organic Frameworks

, Authors: Joonhyeok Park, Tao Li, Yongjin Lee
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-q8360
 
Subject: Chemistry
,
Working Paper
, Title:

Boosting Hydrogen Evolution by In-Situ Converting a Benzimidazolium-bearing Nickel–NHC Complex into a Catalytically Active Species

, Authors: Dongseb Lee, Kaori Kawamura, Kosei Yamauchi, Ken Sakai
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-ptn7s
 
Subject: Chemistry
,
Working Paper
, Title:

Ni-Catalyzed Reductive Coupling of Acetals with Anhydrides and Vinyl Triflates via Single-Electron C–O Activation: A Polarity-Convergent Approach to Native and Umpolung Aldehyde Reactivity

, Authors: Eunbi Kim, Meredith A. Borden, Junha Hwang, Abigail G. Doyle, Sun Dongbang
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-twntt
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical Cocrystallisation in a Simplified Mechanical Model: Decoupling Kinetics and Mechanisms Using THz-TDS

, Authors: Ruohan Zhang, Axel Zeitler
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-nrk7j
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of Bactericidal Efficacy, Load, and Safety of Ozonated Water under Overflow Conditions — Development of a Continuous Flow Immersion Method Using Low-Concentration Ozonated Water—

, Authors: Hourei Oh, Yoshimasa Makita, Kazuhiro Ichikawa
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-q79mf
 
Subject: Chemistry
,
Working Paper
, Title:

Symmetric Ligand Binding Pathways and Dual-State Bottleneck in [NiFe] Hydrogenases from Unbiased Molecular Dynamics

, Authors: Farzin Sohraby, Ariane Nunes-Alves
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-wvkj7
 
Subject: Chemistry
,
Working Paper
, Title:

Order-Disorder Melt Transformation, Hierarchical Multiphase Separation and Transition, Complex Crystal Polymorphism and Self-Toughening of Isotactic Polypropylene/Poly(1-butene) Blends

, Authors: Aizezi Maimaitiming, Kun Cui
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-p6c85
 
Subject: Chemistry
,
Working Paper
, Title:

Can reasoning power significantly improve the knowledge of large language models for chemistry? --Based on conversations with Deepseek and ChatGPT

, Authors: Dong-xu Cui, Shi-yu Long, Qiao Li
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-85wpr-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Reducing gas-loss in rigid polyisocyanurate foams using metal-organic frameworks

, Authors: Michael Harris, Jonathan Foster, Anthony Ryan
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-kq52k
 
Subject: Chemistry
,
Working Paper
, Title:

A Data-Driven Workflow for Nanomedicine Optimization Using Active Learning and Automated Experimentation

, Authors: Zeqing Bao, Frantz Le Devedec, Steven Huynh
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-h69wz
 
Subject: Chemistry
,
Working Paper
, Title:

A novel synthetic route for the preparation of Pomalyst® and analogues from biomass by milling and extruder

, Authors: Camila Santos, Duncan Browne, Julio Pastre
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-wqt0m
 
Subject: Chemistry
,
Working Paper
, Title:

Smartphone-enabled paper-based assay: a portable and simple tool for colorimetric TATA box detection

, Authors: Panagiota Kalligosfyri, Valentina Arciuolo, Antonella Miglione, Jussara Amato, Bruno Pagano, Stefano Cinti
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-vglff
 
Subject: Chemistry
,
Working Paper
, Title:

Transfer learning with domain knowledge adaptation for stability evaluation of dual-atom catalysts on nitrogen-doped carbon.

, Authors: Maria G. Minotaki, Núria López
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-pjdpq
 
Subject: Chemistry
,
Working Paper
, Title:

Revisiting Active Site Quantification in CO2 Electroreduction: The Case for CO Displacement

, Authors: Yuxiang Zhou, Benjamin Bowers, Alexander Bagger, Guangmeimei Yang, Ludmilla Steier, Mary Ryan, Ifan Stephens
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-cv7d7
 
Subject: Chemistry
,
Working Paper
, Title:

Increasing the chemical space of L-SIGN specific glycomimetics

, Authors: Gianluca Cavazzoli, Clara Delaunay, Sara Pollastri, Andrea Panzeri, Sara Sattin, Michel Thepaut, Laura Belvisi, Franck Fieschi, Anna Bernardi
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-79rg7
 
Subject: Chemistry
,
Review
, Title:

Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing

, Authors: Shayantan Chaudhuri, Bang Huynh, Ross Amory, David Rogers, Aiden Cranney, Luis Martínez-Martínez, Tommaso Macrì, Glenn Jones, Evan Sheridan, Abhishek Khedkar, Lana Mineh, Ashley Montanaro, Katherine Inzani, Jonathan Hirst
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-zsqs5
 
Subject: Chemistry
,
Working Paper
, Title:

An Organometallic Chemistry Approach to Peptide Tricycles

, Authors: Nima Adhami, Michael Rebelo, Rebecca Jenkins, Eileen Olivares, Rachel Loo, Songrong Qu, Melanie Olivares, Reanne Coutinho, Evan Doud, Tyler Kerr, Austin Ready, Yueying Wang, Brendan Mahoney, Robert Clubb, Joseph Loo, Jose Rodriguez, Alexander Spokoyny
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-mkz71
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging dynamic bonds to probe equilibrium topology in polymer networks

, Authors: Devosmita Sen, Yu Zheng, Bradley Olsen
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-gh480
 
Subject: Chemistry
,
Working Paper
, Title:

Versatile Cell Design for Molten Fluoride Salt Spectroscopy: Investigating Metal-Ion Speciation in Molten Fluoride Salts

, Authors: Garrett LeCroy, Linu Malakkal, Michael Woods, Qiufeng Yang, Benjamin Beeler, Ruchi Gakhar
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-44k4r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Physics-Informed Neural Networks for Noise Reduction in Fluid Flow Data

, Authors: Jishnu Chandran, Ishwariya R, Jisha C R, Ashish Garg, Arun Govind Neelan
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-1qlft-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Physics-Informed Machine Learning Enables Rapid Macroscopic pKa Prediction

, Authors: Corin Wagen
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-t8s9z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Martini 3 coarse-grained models for carbon nanomaterials

, Authors: Roshan Shrestha, Riccardo Alessandri, Martin Vögele, Cecile Hilpert, Paulo Souza, Siewert-Jan Marrink, Luca Monticelli
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2024-6s1wj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Precision Synthesis of Polyrotaxanes Using Macrocyclic Ring-Opening Metathesis Polymerization

, Authors: Jiaqi Han, Seung Eun Choi, Xin Jiang, Hua Zhong, Xiaoyang Wang, Yunyan Qiu
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-6jbc2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A cross-species proteomic assessment of cost-effective platforms for depleting high-abundant proteins from blood serum

, Authors: Zongkai Peng, Shakya Wije Munige, Deepti Bhusal, Isabella Yang, Nagib Ahsan, Zhibo Yang
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-k85pl
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Cyclic Monoamide Extractants for Selective Separation of U(VI): Effects of Branched Side Chains

, Authors: Yugo Murai, Masanobu NOGAMI, Kenji SIRASAKI, Taiki KITA, Yuki UEMOTO, Ryo HAMASHIRO
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-tjwdx
 
Subject: Chemistry
,
Working Paper
, Title:

Optimized Biomimetic Syntheses of Discorhabdin B and Aleutianamine Drives a Deeper Exploration of their Anticancer Activities

, Authors: Nicholas Magann, Griffin Barnes, Ryan Schioldager, Fabian Hörmann, Rubén Muñoz, Haiyong Han, Daniel Von Hoff, Christopher Vanderwal
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-djk90
 
Subject: Chemistry
,
Working Paper
, Title:

Peptide Charge Modulates Ion Binding to EF-Hand Motifs: A Molecular Dynamics Study

, Authors: Bailey Hanson, Diana Lambropoulos, Madelyn Smith, Jian Hu, Pengfei Li
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-q7jl8
 
Subject: Chemistry
,
Working Paper
, Title:

Circumventing problems introduced by matrix asymmetry in collocation calculations of vibrational spectra by exploiting near symmetry

, Authors: Luca Corneo, Tucker CARRINGTON
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.26434/chemrxiv-2025-x7wk6
 
Subject: Psychiatry
,
Working Paper
, Title:

Neurodevelopmental disorder & spectrum disorder where the pleonasms of the luminous sun of light

, Authors: Frederic GUIHO
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.33774/coe-2025-jzsqd
 
Subject: Psychology
,
Working Paper
, Title:

Consciousness, the High Probability of the Afterlife, and the Evolution of Human Intelligence in the Universe/s

, Authors: Kande Lekamalaya Senarath Dayathilake
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.33774/coe-2022-m70hf-v21
 
Subject: Psychology
,
Working Paper
, Title:

Motion Concept of the Evolution of the Psyche

, Authors: Alexander Khudiakov
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.33774/coe-2024-1kn8r-v3
 
Subject: Economics
,
Working Paper
, Title:

Application of the Sirius Code to UK 6/59 Lotto: An Empirical Analysis of Asymmetric Equilibrium and Sustainable Profitability

, Authors: Daniel Henrique Pereira
Version undefined posted 02 June 2025
Posted
Jun 02, 2025
10.33774/coe-2025-wl70w
 
Subject: Chemistry
,
Working Paper
, Title:

The Discovery of Complex Heterocycles from Millipede Secretions

, Authors: Paige Banks, Carla Menegatti, Lin Du, Paul Marek, Emily Mevers
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-tdt3n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Protonation-Induced Octamer–Hexadecamer Transition in Multiresponsive Supramolecular G-Quadruplexes

, Authors: Luis M. Negrón, Yazmary Meléndez-Contés, Jose Rivera
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-t8fr3
 
Subject: Chemistry
,
Working Paper
, Title:

Hierarchical AF2RAVE for multi-conformation virtual screening targeting S100 Ca$^{2+}$-binding proteins

, Authors: Xinyu Gu, Venkata Sai Sreyas Adury, Akashnathan Aranganathan, Xinhao Zhuang, Kristen Varney, David Weber, Pratyush Tiwary
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-7j3gd
 
Subject: Chemistry
,
Working Paper
, Title:

A Generalized Machine-Learning Framework for Developing Alchemical Many-Body Interaction Models for Polymer Grafted Nanoparticles

, Authors: Melody Y. Zhang, Shih-Kuang (Alex) Lee, Sharon Glotzer, Rebecca Lindsey
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-n4d3s
 
Subject: Chemistry
,
Working Paper
, Title:

Anti-Breast Cancer Stem Cell Activity of Titanocene Complexes of Non-Steroidal Anti-Inflammatory Drugs

, Authors: Olympia Mouriki, Ginevra Passeri, Karampal Singh, Sarah Lamorte, Kuldip Singh, Kogularamanan Suntharalingam, Alexander Kilpatrick
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-0bclj
 
Subject: Chemistry
,
Working Paper
, Title:

Aza-Isotryptophan: Synthesis, Pictet-Spengler Chemistry, Incorporation and Conformational Analysis in Peptides, and Activity in Modulators of the Cluster of Differentiation-36 Receptor

, Authors: Xiaozheng Wei, Mukandila Mulumba, Sylvain Chemtob, Huy Ong, William D. Lubell
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-sgmgl
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric Synthesis of Bicyclo[1.1.0]butyl, Azabicyclo[1.1.0]butyl, and Bicyclo[1.1.1]pentyl Sulfoximines using a SuFEx Reaction

, Authors: Paul Ghantous, Peter Wipf
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-7wwsc
 
Subject: Chemistry
,
Working Paper
, Title:

MOF-ChemUnity: Unifying metal-organic framework data using large language models

, Authors: Thomas Michael Pruyn, Amro Aswad, Sartaaj Takrim Khan, Robert Black, Seyed Mohamad Moosavi
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-8h5q7
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamics-informed machine learning for predicting temperature-dependent chemical properties

, Authors: Mahyar Rajabi Kochi, Hanie Rezaei, Sartaaj Takrim Khan, Bhanu Teja Mamillapalli, Maryam Ebrahimiazar, Haoming Ye, Rose Moosavian, Mohammad Zargartalebi, David Sinton, Seyed Mohamad Moosavi
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-vfsvt
 
Subject: Chemistry
,
Working Paper
, Title:

A Crystalline Boravinylidene from an Arrested Hydroboration Reaction

, Authors: Manjur Akram, Kirk French, Kevin Shuford, Caleb Martin
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-95f0k
 
Subject: Chemistry
,
Working Paper
, Title:

Disubstituted Meldrum's acid: Another scaffold with SuFEx-like reactivity

, Authors: Baoqi Chen, Zhenguo Wang, Xiaole Peng, Jijun Xie, Zhixiu Sun, Le Li
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-c6j1l
 
Subject: Chemistry
,
Working Paper
, Title:

Eliminating air pollution disparities requires more than emission reduction

, Authors: Libby Koolik, Robert Bullard, Esther Min, Rachel Morello-Frosch, Regan Patterson, Manuel Salgado, Nico Wedekind, Julian Marshall, Joshua Apte
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-793ps
 
Subject: Chemistry
,
Working Paper
, Title:

DNA Glass: Encasing Diffraction-Quality, Mesoporous DNA Crystals in Silica

, Authors: Hajar Al-Zarah, Vidya R. Singh, Karol Woloszyn, Lara Perren, Judah Klingsberg, Gregor Posnjak, Tim Liedl, Trinanjana Mandal, Joshua Hihath, Chengde Mao, Yoel P. Ohayon, James W. Canary, Satoshi Habuchi, Ruojie Sha, Simon Vecchioni
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-ppztw
 
Subject: Chemistry
,
Working Paper
, Title:

Manipulating Exciton Dynamics in Glassy Porphyrin Assemblies toward Near-Infrared Luminescence

, Authors: Mitsuhiko Morisue, Minami Nakamura, Kenya Shinozaki, Munetaka Iwamura, Hiroyasu Masunaga, Sono Sasaki, Koichi Nozaki
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-nnxth
 
Subject: Chemistry
,
Review
, Title:

Quasi-Two-Dimensional Phases of a Non-Fullerene Acceptor by Interfacial Assembly

, Authors: Yisak Tsegazab Gerase, Anna Elmanova, Sarah Jasmin Finkelmeyer, Andrea Dellith, Jan Dellith, Julien Guthmuller, Oleg Ryabchykov, Thomas Bocklitz, Filippo Giovanni Fabozzi, Nikolai Severin, Stefan Hecht, Lukas Renn, James Borchert, Thomas Weitz, Martin Presselt
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-06fnb
 
Subject: Chemistry
,
Working Paper
, Title:

Intermolecular interactions in crystals modulate intramolecular excited state proton transfer reactions

, Authors: Hyein Hwang, Alasdair Mackenzie, Michał Andrzej Kochman, Marcus Gallagher-Jones, Vandana Tiwari, Simon F. Bittmann, Friedjof Tellkamp, Stanley Botchway, Angus I. Kirkland, Hong-Guang Duan, R. J. Dwayne Miller, Ajay Jha
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-w4lr3
 
Subject: Chemistry
,
Working Paper
, Title:

Active Transport of Macrocycles into Micelles Using Molecular Pumps

, Authors: James S. W. Seale, Swagat Sharma, Christopher K. Lee, Han Han, Tyler Jaynes, Eric W. Roth, Saman Shafie, Yunyan Qiu, Luke Malaisrie, Madison I. Bardot, Long Zhang, Yi-Kang Xing, Dong Jun Kim, Samuel I. Stupp, R. Dean Astumian, Evan A. Scott, William R. Dichtel, J. Fraser Stoddart
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-qgdbt
 
Subject: Chemistry
,
Review
, Title:

A Perspective on Cysteine-Reactive Activity-based Probes

, Authors: Constantin Nuber, David Konrad
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-8cv0p
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of donor and acceptor doping on conductivity in potassium niobate

, Authors: Lorenzo Villa, Till Frömling, Karsten Albe
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-1p4m8
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Copper Catalysis: A Triple Catalytic System for Transient C(sp2)–H Functionalization Through Mediated Electrolysis

, Authors: Tsz-Kan Ma, Callum S Begg, James A Bull
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-4gj52
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Effects in Electric-Field–Driven Dissociation of Liquid Hydrogen Fluoride

, Authors: Gabriele Amante, Salvatore Savasta, Franz Saija, Giuseppe Cassone
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-tvh3f
 
Subject: Chemistry
,
Working Paper
, Title:

Multimodal Odor Perception Prediction Using Olfactory EEG and Physicochemical Features of Odorants

, Authors: Durgesh Ameta, Ankit Yadav, Jyotiranjan Beuria, Laxmidhar Behera
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-fbmlf
 
Subject: Chemistry
,
Working Paper
, Title:

STELLAR Enables CPU-Based Fragment Docking and Reconstruction of Large Peptides Without AI Assistance

, Authors: Alejandro Rodríguez Martínez, Jochem Nelen, Miguel Carmena-Bargueño, Carlos Martínez-Cortés, Horacio Pérez-Sánchez
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-nmn5s
 
Subject: Chemistry
,
Working Paper
, Title:

Design Rules and Experimental Validation of Carbene–Metal–Amide Luminophores: Systematic Modification of the Amide Ligand

, Authors: Nguyen Le Phuoc, Arun Kumar, Aliaksandr Baidak, Alexander S. Romanov, Mikko Linnolahti
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-315kf
 
Subject: Chemistry
,
Working Paper
, Title:

H2-Eliminating Reductive N2 Binding: a Dinickel-Bridging Bent N2 Radical Anion and its Redox-Triggered N2 Release

, Authors: Sara Ida Mozzi, Dennis-Helmut Manz, Nils Ostermann, Roland A. Schulz, Peng-Cheng Duan, Thomas Kothe, Martin Diefenbach, Sebastian Dechert, Serhiy Demeshko, Vera Krewald, Inke Siewert, Franc Meyer
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-jksxd
 
Subject: Chemistry
,
Working Paper
, Title:

An accurate and efficient reaction path search with iteratively trained neural network potential: Answering the Passerini mechanism controversy

, Authors: Ruben Staub, Yu Harabuchi, Carine Seraphim, Alexandre Varnek, Satoshi Maeda
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-9h8dr
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Bio-based Thermoplastic Polyurethanes Derived From Oleanolic Acid

, Authors: Till Jessewitsch, Aysha K. Demeler, Guillaume Delaittre
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-ljlbv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting the mechanical response of semiconducting polymers: the influence of morphology at the nanoscale

, Authors: Silvia Cristofaro, Dorothée Brandt, Vincent Lemaur, Ki-Hwan Hwang, Ljiljana Fruk, Deepak Venkateshvaran, Luca Muccioli, Silvia Orlandi, Yoann Olivier
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-6831m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states

, Authors: Johannes Karwounopoulos, Jasper De Landsheere, Leonard Galustian, Tobias Jechtl, Esther Heid
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-w2kgt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A mechanistic study on the photo catalytic conversion of methane to ethane on TiO2 and Au-TiO2 nano clusters

, Authors: Vidya Kaipanchery, Dorota Rutkowska-Zbik
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-mkjvl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Minute Rebond: A simple method for making lab scale rebonded foam and its application as a novel soilless growing media

, Authors: Michael Harris, Harry Wright, Tom Lilly, Nathan Seithel, Chris Hayes, Julie Walker, Jacob Nickles, Duncan Cameron, Anthony Ryan
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-c8k8v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Design of Transition Metal Based Molecular Spin State Switches: Tuning the High Spin to Low Spin Transition Rate by Ligand Substitution

, Authors: György Vankó, Andor Vancza, Dániel Buzsáki, Mariann Papp, Gábor Bazsó, Éva G. Bajnóczi, Csilla Bogdán, László Varga, Attila Domján, Zoltán Németh, Éva Kováts, Mátyás Pápai, Tamás Rozgonyi, Tamás Keszthelyi
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2024-ll7pm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Continuous Hollow Skeletal Macroporous Aluminum Hydroxide Monoliths and Their Calcined Alumina Derivatives with High Diffuse Reflectance

, Authors: Gen Hayase
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-3nz7d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Serine-404 Phosphorylation and the R406W Modification in Tau Stabilize the cis-Proline Amide Bond, via Phosphoserine-Proline C–H/O and Proline-Aromatic C–H/π Interactions

, Authors: Himal K. Ganguly, Michael B. Elbaum, Noah J. Daniecki, Neal J. Zondlo
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2023-w152b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Amide Nitrogen Pyramidalization via N–H/N Interactions that Stabilize the delta/alpha Conformations in Turns, Loops, and 310- and alpha-Helices

, Authors: Noah J. Daniecki, Glenn P. A. Yap, Neal J. Zondlo
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-xv7ft
 
Subject: Chemistry
,
Working Paper
, Title:

Dehalogenative borylation of benzylic halides assisted by sodium dispersion

, Authors: Fumitaka Mihara, Shuichi Ikeda, Kentaro Okano, Atsunori Mori
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-tlnp8
 
Subject: Chemistry
,
Working Paper
, Title:

FEAST-Pipeline: A Techno-economic Model to Assess Effectiveness of Methane Mitigation Policies Across Natural Gas Pipelines

, Authors: Alan Strayer, Arvind Ravikumar
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-2rbbq
 
Subject: Chemistry
,
Working Paper
, Title:

A graph neural network charge model targeting accurate electrostatic properties of organic molecules

, Authors: Charlie Adams, Joshua Horton, Lily Wang, Simon Boothroyd, David Mobley, David Wright, Daniel Cole
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-4tmbz
 
Subject: Chemistry
,
Working Paper
, Title:

Water as a field-effect transistor gate for dissipative biochemical systems

, Authors: Ben Tin Yan Wong, Jacky Tin Shing Hung, Hei Ming Lai
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-5bxrm
 
Subject: Chemistry
,
Working Paper
, Title:

Analytical method development of Bifenthrin in dried meat-based foods using gas chromatography coupled to mass spectrometry

, Authors: Trung Quang Nguyen, Nhan Van Le, Tung Ngoc Nguyen, Minh Ngoc Truong, Thao Thi Phuong Pham, Thao Thanh Nguyen, Duc Hung Pham, Minh Quang Bui, Minh Huynh Nhat Nguyen
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-zvsz7
 
Subject: Chemistry
,
Working Paper
, Title:

Intermolecular bending states and tunneling splittings of water trimer from rigorous 9D quantum calculations: II. Characterization of the states

, Authors: Peter M. Felker, Irén Simkó, Zlatko Bačić
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-3zp5t
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling Thermal Transport Mechanisms in ZIFs: A Circuit Model Approach to Network and Functional Group Design

, Authors: Xiaoqi Zhang, Senja Barthel, Yutao Li, Berend Smit, Raffaela Cabriolu
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-7cqh2
 
Subject: Chemistry
,
Working Paper
, Title:

Late-Stage Modification of NHC Gold(I) Complexes: Fast Track to Ligand Design as a Key for New Reactivities in Gold-Catalysis

, Authors: Martin Christian Dietl, Melina Maag, Matthias Scherr, Qiaoying Sun, Jan-Niklas Haug, Jürgen Graf, Frank Rominger, Matthias Rudolph, A. Stephen K. Hashmi
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.26434/chemrxiv-2025-scfw4
 
Subject: Politics and International Relations
,
Working Paper
, Title:

All or Nothing: Voting on Multiple Provision Ballot Measures

, Authors: Lucas Boschelli, Dino Christenson
Version undefined posted 03 June 2025
Posted
Jun 03, 2025
10.33774/apsa-2024-pr4th-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating the structure and the impact of synthesis methods on the flexibility of MIL 88 A (Fe) during water capture

, Authors: Timo Manitz, Fabian Heck, Kristina gjorgjevikj, Shun Tokuda, Sebastian Bette, Stefano Canossa, Sri Rezeki, Desiree Leistenschneider, Simon Krause
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-vk1cg
 
Subject: Chemistry
,
Working Paper
, Title:

Computationally Efficient DFT-based Sampling of Ion Diffusion in Crystalline Solids

, Authors: Hannes Gustafsson, Fabian Schwarz, Thijs Smolders, Senja Barthel, Amber Mace
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2024-2bmxc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Dipole Characteristics of Polymers with Main-Chain Polar Rings: Impact of Dipole Strength and Orientation on Reactivity and Material Properties

, Authors: Allison Wong, Jorge Barroso, Luc Wetherbee, Bess Vlaisavljevich, Jessica Lamb
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-vx0t5
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Workflows for Discrete Standard Deposition Using Echo Acoustic Liquid Handlers for qMSI

, Authors: Emily R. Sekera, Nathaniel R. Twarog, Rebekah DeVries, P. Jake Slavish, Elizabeth D. Barker, Anang A. Shelat, John J. Bowling
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-9n29g
 
Subject: Chemistry
,
Working Paper
, Title:

Anodic Palladium Membrane Electrolysis in Molten Hydroxides Promotes Thermochemical Dehydrogenation Catalysis

, Authors: Rui Zeng, Bryan Tang, Ryan Bisbey, Yogesh Surendranath
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-cv1ld
 
Subject: Chemistry
,
Working Paper
, Title:

Topology-Enforced Synthesis of Atomically-Precise Silver Nanoclusters in 3D DNA Lattices

, Authors: Lara Perren, Will Livernois, Karol Woloszyn, Jordan Janowski, Laibah Faiaz, Vidya R. Singh, Mara Jaffe, Chengde Mao, James W. Canary, Yoel P. Ohayon, Ruojie Sha, M.P. Anantram, Simon Vecchioni
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-3f6br-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quasi-in-situ Analysis of Electrode Top Atomic Layers via High-Sensitivity Low Energy Ion Scattering and Potential-Controlled Sample Transfer

, Authors: Haoran Ding, Nathanael C. Ramos, Adam Holewinski
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-fzmmn
 
Subject: Chemistry
,
Working Paper
, Title:

Magnesiation of Phenol Derivatives Catalyzed by a Rhodium–Aluminum Complex

, Authors: Ikuya Fujii, Rin Seki, Haruka Kido, Louis Jauffret, Kazuhiko Semba, Yoshiaki Nakao
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-pthz2
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Functional Insights into the Iminium Ion Intermedi-ate in AsKslB-Mediated Pictet-Spengler Chemistry

, Authors: Yan-Bin Teng, Zhi Qiao, Chunya Xie, Xiaona Yang, Liangting Liu, Zhengrong Zou, Yunchang Xie, Xuan Zhang, Qi Chen
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-jmg6n
 
Subject: Chemistry
,
Working Paper
, Title:

Polyacrylates with protein recognition and functional modulation

, Authors: Darwin C. Gomez, Swarnadeep Seth, Ronnie Mondal, Stephen J. Koehler, Jared G. Baker, Charles Plate, Ian C. Anderson, Mikayla R. Smith, Joey Gloriod, Morgan Gunter, Valerie Vaissier Welborn, Sanket A. Deshmukh, C. Adrian Figg
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-20b2m
 
Subject: Chemistry
,
Working Paper
, Title:

Multiplexed Electrochemical Sensing of Single-Nucleotide Polymorphic MicroRNAs in Liver Cancer

, Authors: Gabriel Sasa, Chong Chen, Baixun He, Wenxin Zhang, Allen Borlay, Cherie Tan, Dong Ming
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-vm53d
 
Subject: Chemistry
,
Working Paper
, Title:

Ruthenium-Catalysed Azide-Selenoalkyne Cycloadditions: A Combined Synthetic-Computational Study into Reaction Scope, Mechanism and Origins of Regioselectivity

, Authors: Frances Bugden, Andrew Bage, Ashima Bajaj, Bin Wang, Fiona Gibson, Henry Stone, Yingjian Xu, Frank De Proft, Mercedes Alonso, Mark Greenhalgh
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-dv1rr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Azapeptide-based SARS-CoV-2 Main Protease Inhibitors: Design, Synthesis, Enzyme Inhibition, Structural Determination, and Antiviral Activity

, Authors: Philipp Flury, Jyoti Vishwakarma, Katharina Sylvester, Nobuyo Higashi-Kuwata, Agnieszka Dabrowska, Renee Delgado, Ashley Cuell, Rahul Basu, Alexander B. Taylor, Ellen Gonçalves de Oliveira, Mateus Sá Magalhães Serafim, Jingxin Qiao, Yan Chen, Shengyong Yang, Anthony J. O’Donoghue, Hiroaki Mitsuya, Michael Gütschow, Stefan A. Laufer, Christa E. Müller, Reuben S. Harris, Thanigaimalai Pillaiyar
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-3x4ts
 
Subject: Chemistry
,
Working Paper
, Title:

indexGIXS – software for visualizing and interactive indexing of grazing-incidence scattering data

, Authors: Detlef-M. Smilgies, Ruipeng Li
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2021-j1bww-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Stochastic Model Analysis of Luminescence Switching in Hybrid Systems of CdSe/CdS Quantum Dots − Spiropyran Molecular Photoswitches

, Authors: Sho Shishido, Moe Yamamoto, Daichi Eguchi, Naoto Tamai
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-j8l1t
 
Subject: Chemistry
,
Working Paper
, Title:

Modular Access to N–SF₅ azetidines

, Authors: Renzhe Li, Chao Hu, Chang Liu, Thomas Lyness, Wenyuan Li, Chen-Yan Cai, Eric Crossley, Yuzuru Kanda, Rohan R. Merchant, Bryan S. Matsuura, Noelle S. Williams, Tian Qin
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-q0c07
 
Subject: Chemistry
,
Working Paper
, Title:

A Multiscale Modeling Approach to Chiral Nanocluster Self-assembly

, Authors: Neha Yadav, Vikas Tiwari, Soumya Mondal, Tarak Karmakar
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-xh721
 
Subject: Chemistry
,
Working Paper
, Title:

A Microporous Bimetallic Aluminum-Copper-Carboxylate-Pyrazolate MOF for CO2 Capture

, Authors: Asma Mansouri, Aysu Yurdusen, Miriam Pougin, Iurii Dovgaliuk, Matthew Garvin, Ah-Young Song, Alireza Pourghaderi, Pratibha Malik, Luke Stuart, Debanjan Chakraborty, Shyamapada Nandi, Jeffrey A. Reimer, Susana Garcia, Berend Smit, Georges Mouchaham, Christian Serre
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-5lwjx
 
Subject: Chemistry
,
Working Paper
, Title:

Microwave-assisted synthesis of new triangulenium dyes for lifetime imaging microscopy (FLIM)

, Authors: Carmen Viedma-Barba, Esther M. Ortega-Naranjo, Federico Movilla, Antonio Reinoso, Marta Andrades-Amate, Pablo Peñalver, Juan C. Morales, Juan A. González-Vera, Marta Gutiérrez-Rodríguez, Angel Orte
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-lf2s6
 
Subject: Chemistry
,
Working Paper
, Title:

Direct [3+2] Cycloaddition-Dearomative-Alkylation Cascade: Simple Terminal Alkynes to Indoline-fused-3,4-Pyrroles

, Authors: Harish Pemmiraju, Rajesh Viswanathan
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-m8psc
 
Subject: Chemistry
,
Working Paper
, Title:

Polyvalent carboxyl mannose-coated gold nanoparticles for probing multivalent lectin-glycan interaction and blocking virus infection

, Authors: Rahman Basaran, Darshita Budhadev, Elena Dimitriou, Hannah Wootton, Gavin Miller, Amy Kempf, Inga Nehlmeier, Stefan Pöhlmann, Yuan Guo, Dejian Zhou
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-qv5m6
 
Subject: Chemistry
,
Working Paper
, Title:

An Efficient Guanine O6 Phosphitylation Repair Strategy for High-Quality DNA Library Synthesis via Digital Nucleic Acid Photolithography

, Authors: Santra Santhosh, Sharon Istvánffy, Omer Sabary, Eitan Yaakobi, Maya Giridhar, Jürgen Behr, Mark Somoza
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-f706f
 
Subject: Chemistry
,
Working Paper
, Title:

Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution

, Authors: Luke Elder, Alexey Onufriev
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-b4b11
 
Subject: Chemistry
,
Working Paper
, Title:

Comparative reactor, process, techno-economic, and life cycle emissions assessment of ethylene production via electrified and thermal steam cracking

, Authors: Alexandre Cattry, Chaitanya Vuppanapalli, Dharik S. Mallapragada
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-0nbs9
 
Subject: Chemistry
,
Working Paper
, Title:

A Short Synthesis of the Tricyclic Core Common to Lycopodine-Like Lycopodium Alkaloids: Discovery of a Separable Pair of Keto-Enol Tautomers

, Authors: Roni Manasi, Justin K. Yang, Lorraine Rangel, Chanelle Pfitzer, Phillip Farias, Veronica Carta, Kevin G. M. Kou
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-j7m90
 
Subject: Chemistry
,
Working Paper
, Title:

A Ni–Al Hydride Cluster Bearing Site-Differentiated Al Centers: Demonstration of Olefin Insertion and Alkyl Transfer

, Authors: Jordan R. Gipper, Sergio Gonzalez-Eymard, Manar M. Shoshani
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-l1bsm
 
Subject: Chemistry
,
Working Paper
, Title:

Anionic Ferrocenyl Peptide Surfactants: Interaction with Bovine Serum Albumin and Inhibition of Amyloids

, Authors: vinithra Gurunarayanan, Ramesh Ramapanicker
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-6dhms
 
Subject: Chemistry
,
Working Paper
, Title:

Co-processing sustainable aviation fuel at petroleum refineries to reduce costs and carbon intensity

, Authors: Wenjun Guo, Lavanya Kudli, Sarang Bhagwat, Jeremy Guest
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-n5tkz
 
Subject: Chemistry
,
Working Paper
, Title:

Guest stabilized reverse micelles: On how HAuCl4 converts sodium dodecyl sulfate into a suitable nanoreactor

, Authors: Maximilian Jaugstetter, Paolo Cignoni, Pouya Hosseini, Lisa Schardt, Manuel Corva, Thais Schroeder Rossi, Lennart Sobota, Stefano Da Vela, Axel Rosenhahn, Kristina Tschulik
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-652df
 
Subject: Chemistry
,
Working Paper
, Title:

Detection and resolution of sub-millimolar concentration amino acids on a benchtop NMR spectrometer by nh-PHIP hyperpolarization

, Authors: Mateusz Urbańczyk, Kärolin Kork, Kerti Ausmees, Tomasz Ratajczyk, Indrek Reile
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-wq9sh
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the Mechanism of TEMPO-Hypervalent Iodine(III) Oxidation of Alcohols

, Authors: Michael Bingham, Tapas Pradhan, Rawiyah Alkahtani, Paul Kavanagh, Thomas Wirth, Paul Dingwall
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-nlkpk
 
Subject: Chemistry
,
Working Paper
, Title:

Multigram Copper-Catalyzed Borylation of Functionalized Terminal Alkynes with B2Pin2

, Authors: Ihor Kleban, Yana Semonchuk, Oleksandr S. Liashuk, Anastasiia M. Hurieva, Yuliia V. Rassukana, Oleksandr O. Grygorenko
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-cp2w3
 
Subject: Chemistry
,
Working Paper
, Title:

Computational IR and Raman Analysis of Bioactive Thiosemicarbazone

, Authors: Nikitas Georgiou, Ektoras Vasileios Apostolou, Stamatia Vassiliou, Demeter Tzeli, Thomas Mavromoustakos
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-zvwpq
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Diamino and Imidazole Functionalization on the Photophysical Properties and Electronic and Structural Dynamics of the Pyrimidine Nucleobase

, Authors: Sean Hoehn, Sarah Krul, Chris Acquah, Collin Merrick, Carlos Crespo-Hernández
Version undefined posted 04 June 2025
Posted
Jun 04, 2025
10.26434/chemrxiv-2025-z3xm0
 
Subject: Chemistry
,
Working Paper
, Title:

India’s Ammonia Industry: Balancing Growth with Sustainability

, Authors: Triya Mukherjee, Harishankar Kopperi, Poonam Kumari, Yamini Javvadi, Ranaprathap Katakojwala, S Venkata Mohan, Swaminathan Sivaram
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-2s260
 
Subject: Chemistry
,
Working Paper
, Title:

An Extremely Versatile Polyglutamate Alignment Medium to Measure Residual Dipolar Couplings in non-Polar and Polar Solvents

, Authors: Lukas Laux, Marcel Alcaraz-Janßen, Christina M. Thiele
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-808gp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking ML in ADMET predictions: the practical impact of feature representations in ligand-based models

, Authors: Gintautas Kamuntavičius, Tanya Paquet, Orestis Bastas, Dainius Šalkauskas, Alvaro Prat, Hisham Abdel Aty, Aurimas Pabrinkis, Povilas Norvaišas, Roy Tal
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2023-x6tjr-v7
 
Subject: Chemistry
,
Working Paper
, Title:

Less for More: Enhanced Feedback-aligned Mixed LLMs for Molecule Caption Generation and Fine-Grained NLI Evaluation

, Authors: Dimitris Gkoumas, Maria Liakata
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2024-p39s0-v3
 
Subject: Chemistry
,
Working Paper
, Title:

ConfRank+: Extending Conformer Ranking to Charged Molecules

, Authors: Rick Oerder, Christian Hölzer, Jan Hamaekers
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-xkwk6
 
Subject: Chemistry
,
Working Paper
, Title:

Activation of NiFe oxide-based OER catalysts: Iron determines the growth of the catalytically active phase in NiO

, Authors: Christopher Gort, Jan Philipp Hofmann
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-tj0qd
 
Subject: Chemistry
,
Working Paper
, Title:

PolyRL: Reinforcement Learning-Guided Polymer Generation for Multi-Objective Polymer Discovery

, Authors: Wentao Li, Yijun Li, Qi Lei, Zemeng Wang, Xiaonan Wang
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-xk99z
 
Subject: Chemistry
,
Working Paper
, Title:

Application of the oxidation reaction of a ferrocene derivative (FcSQC6) as driving force for the transfer of hydrophilic sulfate anions at a three-phase electrode

, Authors: Julia Maciejewska-Komorowska, Karolina Peret, Marta Zaleskaya-Hernik, Jan Romański, Martin Jönsson-Niedziółka
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-dvpqq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Transforming Aluminium Waste: Sustainable Conversion to Commercial MOFs, Hydrogen Fuel, and Essential Aluminium Feedstocks

, Authors: Mason Lawrence, Robert Horne, Barry Blight
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-vfmgs
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon Monoxide Reduction to Multi-Carbon Products at Ampere-Level Current Densities: A Comparative Assessment with CO2 Reduction Reactions

, Authors: Sora Nakasone, Asato Inoue, Ryo Kurihara, Takashi Harada, Shuji Nakanishi, Kazuhide Kamiya
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-zj6cj
 
Subject: Chemistry
,
Working Paper
, Title:

Cyclic Deracemization of Secondary Benzylic Alcohols via Simultaneous Photocatalysis and Whole-cell Biocatalysis

, Authors: Wang Yui Wylan Wong, Stephen Wallace, Craig P. Johnston
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-qsxz3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Axial oxygen ligand engineering enhances catalytic selectivity of single-atom nanozymes for bubble-propelled nanomotors

, Authors: Yuan Xu, Miao Cheng, Kaiyuan Wang, Jinxing Chen, Bowen Jiang, Zekun Hu, Songqin Liu, Yanfei Shen, Jie Guan, Yuanjian Zhang
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-kd30t
 
Subject: Chemistry
,
Working Paper
, Title:

Combining strongly orthogonal geminals with explicitly correlated corrections

, Authors: Zsuzsanna É. Mihálka, Jozef Noga
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-727hr
 
Subject: Chemistry
,
Working Paper
, Title:

Uronium from X-ray Desorbed Solid Urea Enables Attomole Sensitivity to Amines and Semivolatiles

, Authors: Aleksei Shcherbinin, Henning Finkenzeller, Fariba Partovi, Netta Vinkvist, Jussi Kontro, Matthew Boyer, Joona Mikkilä, Siddharth Iyer, Jyri Mikkilä, Paxton Juuti, Nina Sarnela, Juha Kangasluoma, Matti Rissanen
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-ftzpz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Trioxanes as photodegradable motifs for additive manufacturing

, Authors: Florian Mayer, Dominik Laa, Thomas Koch, Jürgen Stampfl, Robert Liska, Katharina Ehrmann
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-gmt1k
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring High-Dimensional LA-ICP-TOFMS Data with Uniform Manifold Approximation and Projection (UMAP)

, Authors: Katharina Kronenberg, Hennes Rave, Nassim Ghaffari-Tabrizi-Wizsy, Danae Nyckees, Matthias Elinkmann, Dalial Freitak, Lars Linsen, Raquel Gonzalez de Vega, David Clases
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-gw5z7
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrated triarylphosphine oxides: accessible triarylphosphoryl molecules with up to six nitro groups

, Authors: Rafael Pérez, Houari Dahmani, Guillaume Bélanger-Chabot
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-w09t3
 
Subject: Chemistry
,
Working Paper
, Title:

4-dimethylamino-1,8-naphthalimide as a turn on fluorophore for site selective and real time probing of the short-lived hydroxyl radical

, Authors: Yelisetty Venkata Suseela, Sabyasachi Mandal, Denis Jacquemin, Thimmaiah Govindaraju, Peter Faller
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-bwb8d
 
Subject: Chemistry
,
Working Paper
, Title:

A Metal-DNA biohybrid as Enantioselective Artificial PhotoDNAzyme

, Authors: Zachary Pastorel, Juliette Zanzi, Alessio Bartocci, Stellios Arseniyadis, Elise Dumont, Yves Canac, Olivier Baslé, Michael Smietana
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-kh8j0
 
Subject: Chemistry
,
Working Paper
, Title:

Co-Intelligent Design of Catalysis Research with Large Language Models: Hype or Reality?

, Authors: David Balcells
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-5d76r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

India's Cement Industry: Meeting the Challenge of Emissions Abatement with Sustainable Growth

, Authors: Harishankar Kopperi, Triya Mukhrjee, Poonam Kumari, Yamini Javvadi, S Venkata Mohan, Sivaram Swaminathan
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-fwfmb
 
Subject: Chemistry
,
Working Paper
, Title:

Spatially Mapping Neuropeptides and Their Isomers by MALDI Trapped Ion Mobility MS Imaging

, Authors: Samuel Okyem, Timothy Trinklein, Stanislav Rubakhin, Jonathan Sweedler
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-ct0jk
 
Subject: Chemistry
,
Working Paper
, Title:

Origin of Selectivity in Alternating Current-Enabled Partial Reduc-tion of (Hetero)Arenes: A Case Study of Two Consecutive Irre-versible Electrochemical Steps

, Authors: Sreesaila Sreekumar, Joshua Beeler, Diptangshu Datta Mal, Henry S. White, Long Luo
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-h23bd
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorous Modification of Commercial Resins for Ultrashort and Short Chain PFAS Removal

, Authors: Anne Lobitz, Alex Steuber, Minshu Chen, Mahyar Afshar Maohajer, Ruimin Feng, Michelle Barry, Brianna Harris, Min Zou, Shang Jia, Lei Guo
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-6zgbk
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental mechanistic studies on alternating polarity electrolysis for carbon-centered radical generation

, Authors: Jake Evans, Enqi Feng, Jessica Zhong, Griffin Stewart, Christian Malapit
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-0m7pk
 
Subject: Chemistry
,
Working Paper
, Title:

Topology-Based Lattice Engineering in Condensed Soft Matter

, Authors: Andrew Horvath, Karol Woloszyn, Joanna A. Rizk, Mindy Wang, Joe Rueb, Lara Perren, Mara Jaffe, Chengde Mao, Yoel P. Ohayon, James W. Canary, Nataša Jonoska, Simon Vecchioni, Ruojie Sha
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-r17k1
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrafast nonradiative relaxation limits the efficiency of photoinduced bond homolysis in molecular LMCT photocatalysts

, Authors: Rachel Weiss, Bryan Kudisch
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-jbcnl
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Learning of GNN Ensembles for Predicting Redox Potentials with Uncertainty

, Authors: Arindam Chowdhury, Hassan Harb, Caio Alves, Hieu Anh Doan, Romain Egele, Rajeev Surendran Assary, Prasanna Balaprakash
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-0tq7j
 
Subject: Chemistry
,
Working Paper
, Title:

All Roads Lead to Carbinolamine: QM/MM Study of Enzymatic C-N Bond Cleavage in Anaerobic Glycyl Radical Enzyme Choline Trimethylamine-Lyase (CutC)

, Authors: Marko Hanzevacki, Jasmin Güven, Philip Hinchliffe, John Shaw, Antonia Mey, Natalie Fey, James Spencer, Adrian Mulholland
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-4x2pb
 
Subject: Chemistry
,
Working Paper
, Title:

A formal Fe(III/V) redox couple in an intercalation electrode

, Authors: Hari Ramachandran, Edward W. Mu, Eder G. Lomeli, Augustin Braun, Masato Goto, Kuan H. Hsu, Jue Liu, Zhelong Jiang, Kipil Lim, Grace M. Busse, Brian Moritz, Joshua J. Kas, John Vinson, John J. Rehr, Jungjin Park, Iwnetim I. Abate, Yuichi Shimakawa, Edward I. Solomon, Wanli Yang, William E. Gent, Thomas P. Devereaux, William C. Chueh
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2024-jhbqx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Bidirectional modification of a Galbulimima alkaloid identifies selective opioid ligands

, Authors: Florian Zielke, Stone Woo, Samuel Kasmali, Allison Volf, Vuong Dang, Jake Bailey, Milan Gembicky, Laura Bohn, Ryan Shenvi
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-642tw
 
Subject: Chemistry
,
Review
, Title:

Topological Matter: A Unified Perspective on Real and Momentum Space

, Authors: Simon Vecchioni, Paritosh Singh, Arpan De, Miguel Chapa, Vidya R. Singh, Karol Woloszyn, Ran Liu, Bo Liu, Chu-fan Yang, Yoel P. Ohayon, Ruojie Sha, James W. Canary, Joshua Hihath, M.P. Anantram, Antia S. Botana
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.26434/chemrxiv-2025-swzkq
 
Subject: Education
,
Abstract
, Title:

Through the lens of the extremes

, Authors: Barbara Imhof, René Waclavicek
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.33774/coe-2025-ggpkm
 
Subject: Education
,
Abstract
, Title:

Through the lens of the extremes

, Authors: Barbara Imhof, René Waclavicek
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.33774/coe-2025-nt8lr
 
Subject: Engineering
,
Abstract
, Title:

RotoForm blue biomass: production pathways for digital fabrication of biogenic co-products

, Authors: Nadja Gaudillière-Jami, Samim Mehdizadeh, Carolyne Nelle Preston Ichniowski, Shahriar Akbari, Cameron Nelson, Norman Hack, Paul Nicholas
Version undefined posted 05 June 2025
Posted
Jun 05, 2025
10.33774/coe-2025-9qxpb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Modular Global Optimization using Molecular Graphs : A Case Study of ZnO/Cu Surface for Methanol Synthesis Reaction

, Authors: Kaustubh J Sawant, Philippe Sautet
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-t71bx
 
Subject: Chemistry
,
Working Paper
, Title:

A Versatile Heteroatom Nucleophile Hub enabling divergent Thiol and Amine Bioconjugate Synthesis

, Authors: Shu-Sin Tsai, Yu-De Chuang, Ting-Yi Chuang, Chih-Hung Wang, Chia-Yu Chang, Po-Han Chen, Shu-Hui Chen, Tzusiung Yang, Yen-Chun Lee
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-6rsjl
 
Subject: Chemistry
,
Working Paper
, Title:

TCM-Navigator, a Deep Learning-based Workflow for Generation and Evaluation of Traditional Chinese Medicine-like Compounds for Drug Development

, Authors: Feiying Chen, Victor Jun Yu Lim, Mingyu Li, Hao Fan
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-xrcfk
 
Subject: Chemistry
,
Working Paper
, Title:

An Automated QM/MM Average Protein Electrostatic Configuration Approach for Flavoproteins: APEC-F 2.0

, Authors: Sarah Elhajj, Jacopo D’Ascenzi, Stephen O. Ajagbe, Yoelvis Orozco-Gonzalez, Massimo Olivucci, Samer Gozem
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-sp0z3
 
Subject: Chemistry
,
Working Paper
, Title:

Cheminformatics Microservice V-3: A Web Portal for Chemical Structure Manipulation and Analysis

, Authors: Kohulan Rajan, Venkata Chandrasekhar Nainala, Nisha Sharma, Sri Ram Sagar Kanakam, Felix Baensch, Christoph Steinbeck
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-xjkxl
 
Subject: Chemistry
,
Working Paper
, Title:

Isoreticular Metal–Organic Frameworks Pillared by Monovalent Anions

, Authors: Giulio Bresciani, Virginia Guiotto, Stefano Canossa, Melodj Dosa, Massimo Guelfi, Marco Lessi, Valentina Crocellà, Marco Taddei
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-p02vx
 
Subject: Chemistry
,
Working Paper
, Title:

Surrogate Modelling of Lithium-Ion Battery Electrode Manufacturing by Combining Physics-based Simulation and Deep Learning

, Authors: Utkarsh Vijay, Francisco Fernandez, Siwar Ben Hadj Ali, Mark Asch, Alejandro A. Franco
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-cs3kd
 
Subject: Chemistry
,
Working Paper
, Title:

pH-modulated Wet Chemical Synthesis of Copper Oxide Nanostructures

, Authors: Yujiang Zhu, Yun Liu, Shiyang Lu, Bob Schroeder, Andrew Cairns, Despina Moschou, Anna Regoutz
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-nmmww
 
Subject: Chemistry
,
Working Paper
, Title:

UV light mediated photocatalyst-free generation of ketyl radicals with concurrent 1,2-boron shift and one-pot synthesis of benzoxaboroles under continuous-flow conditions

, Authors: Sharada Prasanna Swain, K. Naveen Kumar, Chandrakant Sahu
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-mlmrn
 
Subject: Chemistry
,
Working Paper
, Title:

Functionalized Calix[4]nanocones

, Authors: Anika Haidisch, Frank Rominger, Michael Mastalerz
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-m3dnm
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Stereochemical Replacement on Activity and Selectivity of Membrane-Active Antibacterial and Antifungal Cyclic Peptides

, Authors: Sandeep Lohan, Anastasia G. Konshina, Eman H.M. Mohammed, Naiera M Helmy, Srishhti K. Jha, Rakesh Kumar Tiwari, Innokentiy Maslennikov, Roman G. Efremov, Keykavous Parang
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-m874k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

KOH-Activated Micrometer-Thick Amorphous Carbon Nanofoam as Binder-Free Supercapacitor Electrode with High-Rate Performance

, Authors: Subrata Ghosh, Yifan Zhang, Giacomo Pagani, Raffaella Suriano, Marco Agozzino, Agnieszka Jastrzebska, Carlo S. Casari
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-vslch-v2
 
Subject: Chemistry
,
Working Paper
, Title:

CuBr2-catalyzed intramolecular oxidative C-N bond formation for synthesis of indoline-2,3-diones and anticancer drug Semaxanib under continuous-flow conditions

, Authors: Sharada Prasanna Swain
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-kw37g
 
Subject: Chemistry
,
Working Paper
, Title:

Renewable Polycarbonates Based on Erythrodiol

, Authors: Till Jessewitsch, Guillaume Delaittre
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-48xm6
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrophilic Interaction Chromatography HRMS with Acrylamide Monolithic Columns: A Novel Approach for Intact Antibody Glycoform Characterization

, Authors: Annika A.M. van der Zon, Loïs N. Hana, Huda Husein, Thomas Holmark, Ziran Zhai, Andrea F.G. Gargano
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-x4ltm
 
Subject: Chemistry
,
Working Paper
, Title:

Stereodiscrimination of Guests in Chiral Organosilica Aerogels Studied by ESR spectroscopy

, Authors: Sebastian Polarz, Martin Wessig, Yasar Krysiak, Florian Kuhlmann
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-7678z
 
Subject: Chemistry
,
Working Paper
, Title:

Neutral and Anionic Free-base and Copper Corroles: Structural, spectroscopic and computational analysis and hypercorrole features

, Authors: Nicolas Neuman, Valentina Giorda, Carina Gaviglio, Arijit Singha Hazari, Pablo Javier González, Santiago Vaillard, Biprajit Sarkar
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-7qsq0
 
Subject: Chemistry
,
Working Paper
, Title:

Zinc depletion at the ZnFe2O4 (111) single crystal surface: X-ray spectroscopy experiments and computer simulations

, Authors: Charlotte A Hall, David C. Grinter, Jonas Sandemann, Bo Brummerstedt Iversen, Roger A. Bennett, Georg Held, Ricardo Grau-Crespo, Pilar Ferrer
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-1f9fw
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical and aging-based SN2 method to access CO2-responsive, high-amine-loading chitosan

, Authors: Galen Yang, Rachel S. Korchinsky, Justine Sauvé-St-Pierre, Philip G. Jessop, Edmond Lam, Audrey Moores
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-pz7r7
 
Subject: Chemistry
,
Working Paper
, Title:

Low-Dimensional AgTePh Disordered Aggregation Versus Directed Coalescence for Shortwave-IR to Visible Semiconductors

, Authors: Lewis Nguyen, Riley Zupnick, Quynh Vo Truong, Timothy Atallah
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-pw24p
 
Subject: Chemistry
,
Working Paper
, Title:

Involvement of Nickel Carbonites in the Formation of Oxalate: a Combined Experimental and Computational Study

, Authors: Siad Wolff, Severin Wittek, Arne Hofmann, Mervan Ertegi, Konstantin Krause, Michael Römelt, Christian Limberg
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-0qg03
 
Subject: Chemistry
,
Working Paper
, Title:

Ferromagnetic Ferrofluids in Aqueous and Low-Polar Media

, Authors: Jošt Tručl, Patricija Hribar Boštjančič, Žiga Gregorin, Peter Medle Rupnik, Alenka Mertelj, Darja Lisjak
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-vj616
 
Subject: Chemistry
,
Working Paper
, Title:

Combined UV/Vis and NMR spectroscopy allows for operando reaction monitoring: the case of guaiazulene and 2,4-dinitrobenzaldehyde

, Authors: Kilian Heckenberger, Christina M. Thiele
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-lzg33
 
Subject: Chemistry
,
Working Paper
, Title:

High-throughput Triazole-based Combinatorial Click Chemistry for the Synthesis and Identification of Functional Metal Complexes

, Authors: David R. Husbands, Çağrı Özsan, Athi Welsh, Richard J. Gammons, Angelo Frei
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-z7ct1
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Enhanced Optical Monitoring for Identifying Pitting-Susceptible Zones in 316L Stainless Steel

, Authors: Aleksei Makogon, Leonardo Bertolucci Coelho, Jon Ustarroz, Philippe Decorse, Frédéric Kanoufi, Slava SHKIRSKIY
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-xqprl-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Pore Network Tortuosity Controls Fast-Charging in Supercapacitors

, Authors: Thomas Kress, Xinyu Liu, Alexander Forse
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2024-rjgwd-v3
 
Subject: Chemistry
,
Review
, Title:

Electrolyte effects in proton-electron transfer reactions and implications for renewable fuels and chemicals synthesis

, Authors: Paula Sebastián-Pascual, Antonia Herzog, Yirui Zhang, Yang Shao-Horn, María Escudero-Escribano
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-g7f6v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Nuclear Magnetic Resonance Spectroscopy for the Analysis of Dried Blood Spots

, Authors: Cristina Alexandrescu, Sander Johannes Thorbjørnsen Guttorm, Katja Benedikte Prestø Elgstøen, Frode Rise, Steven Ray Wilson
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-t88gk
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis Route Identification and Prioritization in Reaction Knowledge Graphs

, Authors: Gergely Zahoránszky-Kőhalmi, Brandon Walker, William Cole, Nathan Miller, Brett Yang, Ilia Vorontcov, Dhatri V. L. Penna, Jeyaraman Soundararajan, Jennifer King, Hugo Hernandez, Eduardo L. Lopez, Sridhar Vuyyuru, Andrew Girvin, Hailey Fox, Amin Manna, Maya Chodhury, Joe Mirabal, Cynthia Femano, Carleen Klumpp-Thomas, Samuel G. Michael, Thierry Masquelin, Alexander G. Godfrey
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-0s3jp
 
Subject: Chemistry
,
Working Paper
, Title:

Developing environmentally relevant test materials for microplastic research through UV-induced photoaging

, Authors: Serena Ducoli, Claudio Marchesi, Mario Rigo, Annalisa Zacco, Erika Caianiello, Rachele Castaldo, Mariacristina Cocca, Stefania FEDERICI, Laura Eleonora Depero
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-kmpgs
 
Subject: Chemistry
,
Working Paper
, Title:

Divergent Pathways in C–H Functionalization of Furfural Derivatives with Cobalt-Hydride Catalysis

, Authors: Alessia Mori, Lucia Premoli, Julie Oble, Marc Petit
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-1t02w
 
Subject: Chemistry
,
Working Paper
, Title:

Ground-State Charge-Transfer Doping Interactions in Donor–Acceptor Semiconducting Polymers

, Authors: Paramasivam Mahalingam, Tanner Smith, Tanya Balandin, Debapriya Gupta, Siqi Yu, Pushkar Dalal, Tse Nga Ng, Amar Hugh Flood, Scott P. O. Danielsen, Jason David Azoulay
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-g7tb5
 
Subject: Chemistry
,
Working Paper
, Title:

No Time for Nitrides: How Cobalt Alloying Promotes Iron Catalysts for Ammonia Decomposition

, Authors: Simone Perego, Maximilian Purcel, Shilong Chen, Michele Parrinello, Malte Behrens, Martin Muhler, Luigi Bonati
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-nv4ht
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Interfacial Hydride Transfer Quantifies Hydricity of Main Group Reagents

, Authors: Hye Won Chung, Hai-Xu Wang, Sai Puneet Desai, Andressa V. Müller, Sebastian Sena, Ksenija D. Glusac, Javier J. Concepcion, Yogesh Surendranath
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-9ljw0
 
Subject: Chemistry
,
Working Paper
, Title:

Cyanobacteria Join the Kahalalide Conversation: Genome and Metabolite Evidence for Structurally Related Peptides

, Authors: Byeol Ryu, Nicole Avalon, Marine Cuau, Jehad Almaliti, M. Omar Din, Caitriona Brennan, Evgenia Glukhov, Rob Knight, Lena Gerwick, William Gerwick
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-dmqr1
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Acyloin-Type Heterocoupling of Thioesters via a Putative Cobalt Siloxycarbene

, Authors: Lingran Kong, Kevin Zong, Jiaxu Guo, Ryan Shenvi
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-hxpsz
 
Subject: Chemistry
,
Working Paper
, Title:

Interplay of Redox Mediators and Polymeric Targets for High-Capacity Accessibility in Redox Targeting Flow Batteries

, Authors: Samuel Kopfinger, Hongyi Zhang, Garrett Grocke, Hassan Harb, Rajeev Assary, Stuart Rowan, Shrayesh Patel
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-c4gf3
 
Subject: Chemistry
,
Working Paper
, Title:

AI Assisted Grading Increases Quality Feedback and Grading Efficiency in Undergraduate Chemistry Courses

, Authors: Amanda Abiad, Bradley S. Richter, Maria Sophia Teresa Lee Padilla, Maria Angelica Flores, Jordan C. Thompson, Philip G. Lechner, Kimberly D. Edwards, Renée D. Link
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-km3nn
 
Subject: Chemistry
,
Working Paper
, Title:

Ambient Pulsed Laser Augmentation to Enforce the 4-Electron Pathway for the Complete Reduction of Dioxygen into Water on Dicopper Nanohybrids

, Authors: Wenxuan Zhou, Xiaoyong Mo, Edmund Chun Ming Tse
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-rmkhp
 
Subject: Chemistry
,
Working Paper
, Title:

Learning Accurate and Transferable Force Fields for Physical Property Predictions of Organic Liquids

, Authors: Zhirui Xiang, Tianhang Zhou, Yuqi Wei, Chen Shen, Zhenghao Wu
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-d5zjm
 
Subject: Chemistry
,
Working Paper
, Title:

Atomically precise layer-by-layer titration of perovskite oxides reveals the termination-specific reactivity in electrocatalysis

, Authors: Hongyang Su, Jie Zheng, Wenxiang Mu, Zixuan Guan, Pei Wang, Ziyun Zhang, Fanqi Meng, Xiaoying Yan, Peng Liu, Guiping Ji, Tianxiang Nan, Hui Zhang, Yidan Cao, Zhi Liu, Yuan-Hua Lin, Wei-Xue Li, William Chueh, Sulei Hu, Di Chen
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-v48d8
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of Generator Reward Functions Targeting Non-covalent KRAS Inhibitors

, Authors: Casey Galvin, Masakazu Atobe, Tasuku Ishida
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-2lw7f-v2
 
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 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-9t0z9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Toward Chemical Accuracy in Biomolecular Simulations through Data-Driven Many-Body Potentials: I. Polyalanine in the Gas Phase

, Authors: Ruihan Zhou, Ethan F. Bull-Vulpe, Yuanhui Pan, Francesco Paesani
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2025-b05k5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Continuous photo-flow synthesis of heterohelicenes

, Authors: Katherine Lyon, Chenyu Pan, Shainthavaan Sathiyalingam, Yang Wu, Jochen R. Brandt
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.26434/chemrxiv-2024-cgnhq-v3
 
Subject: Economics
,
Working Paper
, Title:

Application of the Sirius Code to Oklahoma Cash 5: An Empirical Analysis of the Victoria-Nash Asymmetric Equilibrium and Sustainable Profitability

, Authors: Daniel Henrique Pereira
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.33774/coe-2025-2lhxz
 
Subject: Politics and International Relations
,
Working Paper
, Title:

When Information Affects Attitudes: The Effectiveness of Targeting Attitude-Relevant Beliefs

, Authors: Yamil Velez, Patrick Liu, Scott Clifford
Version undefined posted 06 June 2025
Posted
Jun 06, 2025
10.33774/apsa-2025-m6rbw-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Who Belongs Where? The Politics of Internal Deportation, Nativism and Migration in Nigeria

, Authors: Ezenwa Olumba
Version undefined posted 07 June 2025
Posted
Jun 07, 2025
10.33774/apsa-2025-4lg33
 
Subject: Chemistry
,
Working Paper
, Title:

A simple RNA acylation method via a DNA-templated acyl transfer reaction

, Authors: Yu-Xuan Wang, Xiao-Cui Wan, Jun-Hao Xue, Yue Hou, Fan Wu, Hui-Min Wei, Ge-Min Fang
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-xdg3z
 
Subject: Chemistry
,
Working Paper
, Title:

Neutron-friendly Li-ion battery coin cell for In Situ 3D visualization of Li plating

, Authors: Maha Yusuf, Jacob M. LaManna, Yuxuan Zhang, Molleigh Preefer, Boris Khaykovich, Marm Dixit, Chuntian Cao, Donal P. Finegan, Jean Bilheux, Tanvir R. Tanim, Eric J. Dufek, Alison R. Dunlop, Bryant J. Polzin, Andrew N. Jansen, Steve E. Trask, Robert M. Kasse, David N. Agyeman-Budu, Partha P. Paul, Johanna Nelson Weker, Michael F. Toney
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-0fzpr
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemically Stabilized Iron Foam Enables Selective and Durable Nitrate-to-Ammonia Conversion at Industrial Current Densities

, Authors: Nandu Ashtaman Pillai Syamaladevi, Abhijit Dutta, Peter Broekmann
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-g53rc
 
Subject: Chemistry
,
Working Paper
, Title:

The Nobilamides: Potent Biofilm Inhibitors Produced by the Microbiota of Moon Snail Egg Masses

, Authors: Lois Kyei, Rose Campbell, Carla Menegatti, Emily Mevers
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-bzkzc
 
Subject: Chemistry
,
Working Paper
, Title:

nDTomo: A Python-Based Software Suite for X-ray Chemical Imaging and Tomography

, Authors: Antonis Vamvakeros, Evangelos Papoutsellis, Hongyang Dong, Ronan Docherty, Andrew M. Beale, Samuel J. Cooper, Simon D.M. Jacques
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-h5t2x
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into the Structure and Electrochemical Properties of Ti3C2Tx MXene from Solid-State NMR

, Authors: Rajalakshmi Balasubramanian, Priyanka Pandinhare Puthiyaveetil, Sreekumar Kurungot, T G Ajithkumar
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-5t0nd
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the Electron Transfer Cascade in Cryptochrome 4 of Different Birds

, Authors: Mariastella Cascone, Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-hcpkx
 
Subject: Chemistry
,
Working Paper
, Title:

Explaining the Broad Raman Peak for Alkynes Solvated in Triethylamine

, Authors: Anagha Aneesh, Kristina Streu, Clyde Daly
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-xzv83-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A decision support framework for upscaling sustainable bio-based technologies: integration of digital twins and life cycle assessment

, Authors: Zhimian Hao, Lukas Schertel, Wadood Hamad, Polina Yaseneva
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-ppcfk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A consistent set of thermophysical properties of methane curated with machine learning

, Authors: Matheus Maximo-Canadas, Rubens Caio Souza, Julio Cesar Duarte, Jakler Nichele, Leonardo Santos de Brito Alves, Luis Octavio Vieira Pereira, Ligia Gaigher Franco, Itamar Borges Jr
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2024-gthhs-v3
 
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 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-vxgll-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Is There a "Right" Particle Size and Shape Measurement Tool?: A Comparative Study of Seven Online and Offline Devices on Nine Different Particle Populations

, Authors: Daniel Biri, Anna Jaeggi, Oleksandr Prykhodko, William Hicks, Giulio Perini, Marco Mazzotti, Ashwin Kumar Rajagopalan
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-hzv4k
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Resonance Theory: Experimental and Kinetic Interpretation of Programmable Catalysis

, Authors: Jesse Canavan, Omar Abdelrahman, Brandon Foley, Paul Dauenhauer
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-32fdk
 
Subject: Chemistry
,
Working Paper
, Title:

Bioinspired Synthesis of Sceptrin, Ageliferin and Six Piperine Dimers by Photo(Flow) catalysis: [2+2] vs [4+2] Cycloaddition

, Authors: Mohammed Latrache, Amina Sesay, Samuel Oger, Mireia Benito Montaner, Jinlei Zhang, Mohamed Mellah, Erwan Poupon, Stephen T Hilton, Stellios Arseniyadis, Laurent Evanno
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-l2zll
 
Subject: Chemistry
,
Working Paper
, Title:

GPR3 ligands discovered through combined virtual and conformational biosensor-based screening

, Authors: Hannes Schihada, Aida Shahraki, Ainoleena Turku, Maximilian Rath, Lukas Wirth, Hrisowalantu Tselepli, Laura Heitzer, Bernadette Vallaster, Gunnar Schulte, Daniel Hilger, Steffen Pockes, Martin Lohse, Peter Kolb
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-f05q8
 
Subject: Chemistry
,
Working Paper
, Title:

High-Throughput Electronic Property Prediction of Cyclic Molecules with 3D-Enhanced Machine Learning

, Authors: Peikun Zheng, Olexandr Isayev
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-jbdjc
 
Subject: Chemistry
,
Working Paper
, Title:

CoRE 2D-HOIP DB: Computation-ready, experimental database of two-dimensional hybrid organic–inorganic perovskites

, Authors: Ivan Dudakov, Ivan Rubtsov, Ekaterina Marchenko, Artem Eliseev, Dmitry Kvashnin, Alexey Tarasov, Artem Mitrofanov, Vadim Korolev
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-8468r
 
Subject: Chemistry
,
Working Paper
, Title:

From the Boltzmann Entropy Equation to Equilibrium Constant: A Microscopic Approach to Equilibrium

, Authors: Sean Parsons, Kana Takematsu, Jahan Dawlaty
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-x8cnf
 
Subject: Chemistry
,
Working Paper
, Title:

pH controls charge localization in redox-active ladder polymers

, Authors: Ana De La Fuente Durán, Nicholas Siemons, Adam Marks, Arianna Magni, Gerwin Dijk, William C. Chueh, Alberto Salleo, J. Tyler Mefford
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-nc04p
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Sensing of Paramagnetic Analytes by Nanodiamonds in Levitated Microdroplets and Aqueous Solutions

, Authors: Emily Brown, Zachary Jones, Adrisha Sarkar, Brandon Wallace, Ashok Ajoy, Kevin Wilson
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-6drhk
 
Subject: Chemistry
,
Working Paper
, Title:

Development of highly active catalysts for low-temperature CO2 hydrogenation to methanol using machine learning approach

, Authors: Shirun Zhao, Shinya Mine, Gang Wang, Weiyang Zhang, Abdellah Ait El Fakir, Bin Yang, Zengwei Qin, Nazmul Hasan MD Dostagir, Koichi Matsushita, Ichigaku Takigawa, Ken-ichi Shimizu, Takashi Toyao
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-03rmj
 
Subject: Chemistry
,
Working Paper
, Title:

A Multiscale Computational and Experimental Study of TBA–Fluorescent Probes for Protein Sensing: Photobasicity Over Twisted Intramolecular Charge Transfer as a New Mechanism for Protein Induced Fluorescence Enhancement

, Authors: Makay T. Murray, Austin Pounder, Ryan E. Johnson, Keenan T. Regan, Richard A. Manderville, Stacey D. Wetmore
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-zfcb5
 
Subject: Chemistry
,
Working Paper
, Title:

Overriding Norrish Type II to Access Cyclopropanols

, Authors: Sophie Rousseaux, James Pearson, Samantha Dudra, Anthony Palermo, Benjamin Chiu, Julie Dang, Alexis Gabbey, Bridget Henson, Teh Ren Hou, Negin Nabavi
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-cdqzk
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of 4- and 5-Aminotriazolamers via Iterative Electrophilic Ethynylation and Azide–Alkyne Cycloaddition

, Authors: Norihiro Tada, Chihiro Muraki, Ryosuke Tomono, Ryusei Uozumi, Yoshiki Kiyota, Akichika Itoh
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-fnrsf
 
Subject: Chemistry
,
Working Paper
, Title:

Fraction-based Linear Extrapolation (FLEX) Method for Predicting Human Pharmacokinetic Clearance: Advanced Allometric Scaling Method and Machine Learning Approach

, Authors: Yuki Umemori, Koichi Handa, Saki Yoshimura, Michiharu Kageyama
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-hb9k1
 
Subject: Chemistry
,
Working Paper
, Title:

Piezoresistive Graphene-Based Porous Hydrogels for Dual Applications in Wearable Sensing and Environmental Remediation

, Authors: Nishadi M. Bandara, Khandaker Umaiya, Michael J. Joyce, Cesar E. Gouveia, Douglas H. Adamson
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-qj6t9
 
Subject: Chemistry
,
Working Paper
, Title:

Photobasicity-Triggered Twisted Intramolecular Charge Transfer of Push-Pull Chromophores

, Authors: Austin Pounder, Matteo Pavlovic, Darren Chow, Aicheng Chen, Richard A. Manderville, Stacey D. Wetmore
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-cq14f
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression

, Authors: Chenghao Zhang, Amke Nimmrich, Britta A. Johnson, Gregory K. Schenter, Munira Khalil, Niranjan Govind
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-lvfbr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

xcms at 20 and still in peak form: Anchoring a complete metabolomics data preprocessing and analysis software ecosystem

, Authors: Philippine Louail, Carl Brunius, Mar Garcia-Aloy, William Kumler, Norman Storz, Jan Stanstrup, Hendrik Treutler, Pablo Vangeenderhuysen, Michael Witting, Steffen Neumann, Johannes Rainer
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-2n2kh
 
Subject: Chemistry
,
Review
, Title:

A 2025 perspective on the role of machine learning in clinical proteomics

, Authors: Charlotte Adams, Wout Bittremieux
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-b9lpx
 
Subject: Chemistry
,
Working Paper
, Title:

India's Aluminum Industry: Meeting the Challenge of Emissions Abatement with Sustainable Growth

, Authors: Poonam Kumari, Yamini Javvadi, Triya Mukherjee, Harishankar Kopperi, S Venkata Mohan, Swaminathan Sivaram
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-45m87
 
Subject: Chemistry
,
Working Paper
, Title:

Dataset of Prototype Structures Adopted by Intermetallic Compounds with AB Stacking

, Authors: Balaranjan Selvaratnam, Emil Jaffal, Danila Shiryaev, Anton Oliynyk
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-smpsh
 
Subject: Chemistry
,
Working Paper
, Title:

The origin of wasp-waisted shape of magnetization hysteresis loops in 3D CoxFe3-xO4 nanoassemblies

, Authors: Enja Laureen Rösch, Eike Leon Wendt, Rabia Amin, Joachim Landers, Markus Etzkorn, Christopher R Everett, Peter Müller-Buschbaum, Heiko Wende, Meinhard Schilling, Jonathan Leliaert, Dirk Honecker, Leonhard Rochels, Sabrina Disch, Aidin Lak
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-t07rw
 
Subject: Chemistry
,
Working Paper
, Title:

Revised Efficient and Reproducible Synthesis of an Fmoc-protected Tn Antigen

, Authors: Peihan Xu, Sabrina Piazza, Michael R. Reynolds, Ryan Gaudet, Jonathan Chiaramonte, Fabiola A. Chapa-Villarreal, John J Hayward, John Trant
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-zj3h4
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating Electronic and Structural Changes in Metal Porphyrins by 1-n-alkyl-3-methylimidazolium Cations

, Authors: Atiya Banerjee, Jindal Shah
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-7kcd8
 
Subject: Chemistry
,
Working Paper
, Title:

Synergistically activating N2 and CO2 at water microdroplet interfaces

, Authors: Zaifa Shi, Zuo-Chang Chen, Thomas Ka-Yam Lam, Jing Nie, Jianing Wang, Lei Guo, Yunkai Li, Haotian Ying, Xu Cai, Qingjie Zeng, Yanyan Chen, Lan-Sun Zheng, Zongwei Cai
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.26434/chemrxiv-2025-rrs8g
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Democratic Frontsliding in the European Union: The Problem of Autocratic Enclaves and the Case for Restorative Disobedience

, Authors: Christophe Hillion, Tommaso Pavone, Antoinette Scherz
Version undefined posted 09 June 2025
Posted
Jun 09, 2025
10.33774/apsa-2025-d7m1b
 
Subject: Chemistry
,
Working Paper
, Title:

A Strategy to enhance photon upconversion emission in lanthanide metal-organic frameworks

, Authors: Min Ying Tsang, Tapendu Samanta, Aleksandra Gerszendorf, Szymon J. Zelewski, Jan K. Zaręba, Anuj Sharma
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-gbv3k
 
Subject: Chemistry
,
Working Paper
, Title:

Connected Nanoconfinement Effects on Glass Transition Temperature, Fragility, and Dye Translational Diffusivity in Polystyrene Thin Films Depend on Molecular Weight

, Authors: Tong Wei, Logan Fenimore, Tian Lan, John Torkelson
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-06sfj
 
Subject: Chemistry
,
Working Paper
, Title:

High Capacity Intercalation Based Anodes for Solid-State Fluoride-Ion-Batteries Enabled by the Substitution of Conductive Carbon by Metallic Copper

, Authors: Tommi Hendrik Aalto, Tobias Widder, Eberhard Goering, Peter Nagel, Kerstin Wissel, Oliver Clemens
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-qlbkp
 
Subject: Chemistry
,
Working Paper
, Title:

Ab Initio Calculation of Energy Gap and Optical Gap of Organic Semiconductors PTCDA and PDI

, Authors: Chieh-Min Hsieh, Tanja Link, Michael Maas, Katharina Koschek, Tim Neudecker
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-g35q3
 
Subject: Chemistry
,
Working Paper
, Title:

1,2-Boryl/Hydrogen Transposition via Reversible C–H Sampling

, Authors: Longhuan Xie, Peijie Luo, Tao Lu, Weipeng Zheng, Yinyan Su, Jianbo Wang, Xiaotian Qi, Yan Xu
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-lx3t5
 
Subject: Chemistry
,
Working Paper
, Title:

Mind the Gaps: What the STGABS27 Set Can Teach About Second Order Excited State Methods, Solvent Models, and Charge Transfer

, Authors: Thomas Froitzheim, Christoph Hättig, Jan-Michael Mewes
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-pmnpk
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Optimization and Synthesis of Diverse Azaarenes via Nitrogen Atom Insertion under Continuous Flow Conditions

, Authors: Sooyeon Moon, Julia Reisenbauer, Ann-Sophie Paschke, Alessandro Scotto, Luca Terraneo, Niklas Brenner, Quentin Lefebvre, Thomas Fessard, Bill Morandi
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-04rxt
 
Subject: Chemistry
,
Working Paper
, Title:

Olfactory Experiments with Cotton or Viscose Pads: Major Chemical Confounders Detected by GCxGC-Q-TOF

, Authors: Matyas Ripszam, Tobias Bruderer, Serena Reale, Denise Biagini, Federico Maria Vivaldi, Silvia Ghimenti, Tommaso Lomonaco, Fabio Di Francesco
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-3kpzh
 
Subject: Chemistry
,
Working Paper
, Title:

CustomKinFragLib: Filtering the Kinase-Focused Fragmentation Library

, Authors: Paula Linh Kramer, Katharina Buchthal, Dominique Sydow, Katharina Sonja Leo, Andrea Volkamer
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-3gz92
 
Subject: Chemistry
,
Working Paper
, Title:

Excitonic Charge Transfer in the Red Chlorophylls of Photosystem I

, Authors: James Shipp, Chenshuai Li, Yumin Lee, Michael Gorka, John Golbeck, Jessica Anna
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-phq56
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Free-Standing Alloyed Plasmonic ZrxHf1-xN Nanoparticles

, Authors: Blaine Fiss, Mita Dasog
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-xvg98
 
Subject: Chemistry
,
Working Paper
, Title:

ykkC-I Riboswitch Function Requires an Interplay Between Metal Triad and Cationic Ligand: Insights into Metal Ion-Induced Allostery from Molecular Dynamics Simulations

, Authors: Indu Negi, Stacey D. Wetmore
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-77s3l
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Metal and Active Site Configurations in Hydrogenation Reactions with N-Doped Graphene Single Atom Catalysts

, Authors: Aurore Evelyne Francine Denjean, David Balcells, Ainara Nova
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-jcs3s
 
Subject: Chemistry
,
Working Paper
, Title:

Construction of multifunctionalized (oxo)indoles via O-Selective interception of the zwitterionic intermediate with N=O

, Authors: Baofan Wang, Ziming Qiu, Fei Lian, Mengke Zhang, Zheng-hui Kang, Tai-chen Liu, Jiu-ling Li
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-rl4q3
 
Subject: Chemistry
,
Working Paper
, Title:

Balancing discrete indoor air quality metrics: A chemical modeling study of the response of indoor air quality to airborne pathogen control strategies

, Authors: Timothy H. Bertram, Martina Rogers, Subi Thakali, Kevin Wokosin, Jon Douglas
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-v8k8g
 
Subject: Chemistry
,
Working Paper
, Title:

A Novel Core–Shell (Ni/ZnO–ZrO₂)@Co Nanocatalyst for High-Performance Dry Reforming of Methane

, Authors: Firas A. Alghamdi, Ghzzai Almutairi, Almqdad Bubshait, Mohammed Tariq Faraj, Mohammed Saleh Al-Saleh
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-pphcm
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneous Detection of Protein and RNA Using Proximity Ligation of Aptamers and Quantitative Polymerase Chain Reaction

, Authors: Emil Zaripov, Carlos Gu, Kalem Holmes, Yuchu Dou, Aliaksandra Radchanka, Drake Johnson-Scherger, Petr Kasyanchyk, Abdullah Khraibah, Nandanee Mulloo, Maxim Berezovski
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-1d2c4
 
Subject: Chemistry
,
Working Paper
, Title:

ChemProp multi-task models for predicting ADME properties in the Polaris challenge

, Authors: Kenneth Goossens, Giovanni Tricarico, Johan Hofmans, Marie-Pierre Dréanic, Stephane de Cesco, Eelke Bart Lenselink
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-q12vh
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorescein Diacetate (FDA) Should Not Be Used to Study Human Carboxylesterase 2 (CES2) in Complex Biological Systems Without Validation

, Authors: Carolyn J. Karns, Anchal Singh, Makenzie R. Walk, Emmanuel Adusah, Alyssa M. Pearson, Samuel J. Knebel, Michael W. Beck
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-4s8qr-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Dimensionally resolved nanostructures of an atomically precise and optically active 1D van der Waals helix

, Authors: Kaitlyn G. Dold, Joni Spencer, Griffin M. Milligan, Sirisak Singsen, Zhe Wang, Marcus Marracci, Dmitri Leo Mesoza Cordova, Thanh N. Huynh, Kaleolani Ogura, Toshihiro Aoki, Xingxu Yan, Dmitry A. Fishman, Xiaoqing Pan, Ruqian Wu, Elizabeth M. Y. Lee, Maxx Arguilla
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-wn2n2
 
Subject: Chemistry
,
Working Paper
, Title:

X-ray Photoelectron Spectroscopy of Surfactants on Sub-Micron Aqueous Aerosols

, Authors: Alexandra Deal, Alexander Prophet, Sorren Warkander, Madison Foreman, Pyeongeun Kim, Daniel Neumark, Musahid Ahmed, Kevin Wilson
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-4b28v
 
Subject: Mathematics
,
Working Paper
, Title:

Euler Perfect Box (Final)

, Authors: Taha Muhammad
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-rp6h2
 
Subject: Mathematics
,
Working Paper
, Title:

“Fundamental randomness” by the “apophatic” Kochen - Specker theorem: Toward a universal method in Hilbert arithmetic’s number theory

, Authors: Vasil Penchev
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-tm473
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Elementary Exciton Dynamics of CdxZn1-xSe Nanoplatelets

, Authors: Lee Junseo, Li Wang, Daichi Eguchi, Naoto Tamai
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-s537g
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

LAW OF BARYOGENESIS

, Authors: Mykola Kosinov
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-4kfw7-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

THE LAW OF BARYOGENESIS AS A GENERATOR OF THE MASS SPECTRUM OF ELEMENTARY PARTICLES

, Authors: Mykola Kosinov
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-0m7vs-v2
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Energy Modelling Research Landscape in Kenya: A Systematic Review.

, Authors: Neve Fields, Mark Howells, Ed Brown
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-7lmg3
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Higher order equations of motion and the dynamics of cosmic expansion

, Authors: ASHRAFUL ISLAM
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-0mm32
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Conservation of Baryon and Lepton Number is an Effect of Electric and Magnetic Charges

, Authors: Rainer Kühne
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-lhj25
 
Subject: Chemistry
,
Working Paper
, Title:

Simple Iron Ion Enables Photocatalytic Hydrogen Evolution from Methanol

, Authors: Masaya Sakurai, Yudai Kawasaki, Takahiro Matsumoto
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-zdjxg
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Derivation of the Local Lorentz Gauge Transformation of a Dirac Spinor Field in Quantum Einstein-Cartan Theory

, Authors: Rainer Kühne
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-dw07h
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Coupling Constant of Dirac Magnetic Monopoles is not 34.259 but 308.331

, Authors: Rainer Kühne
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-l6l64
 
Subject: Chemistry
,
Working Paper
, Title:

Carbanion-Based Polybetaines

, Authors: Ryohei Kakuchi, Takuma Oguchi, Masaaki Omichi, Noriaki Seko, Gian Vincent Dizon, Yung Chang, Hikaru Yanai
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-2pgwh
 
Subject: Chemistry
,
Working Paper
, Title:

Long Aliphatic Chain-Based Spontaneous Perovskite Passivator Combined with Spiro-OMeTAD Hole Transport Material in Perovskite Solar Cells

, Authors: Naoyuki Nishimura, Takurou N. Murakami
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-hh400
 
Subject: Chemistry
,
Working Paper
, Title:

Toward Accelerating Rare-Earth Metal Extraction Using Equivariant Neural Networks

, Authors: Ankur Gupta, Caitlin Hetherington, Wibe de Jong
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-gjr11
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Analytic Quantum Thermodynamics:Time-Entropy-Causality Ordering Gauge-Mass-Gravity

, Authors: Zhi Kai Zou
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-qxqtt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Modular Synthesis of Substituted Lactams via Deoxygenative Photochemical Alkylation-Cyclization Cascade of Secondary Amides in Flow

, Authors: Damiano Diprima, Thomas Terp Paulsen, Antonio Pulcinella, Stefano Bonciolini, Alexis Gabbey, Robin Stuhr, Thomas Poulsen, Timothy Noel
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-6qf93
 
Subject: Chemistry
,
Working Paper
, Title:

Rieske Oxygenase-Catalyzed Biotransformations in Recombinant Cupriavidus necator Fueled by Formate Oxidation

, Authors: Marleen Hallamaa, Hannah Pia Franziska Meier, Matteo Vajente, Mattia Ghirardi, Jan Deska, Sandy Schmidt
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-6g8sg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Total Synthesis of 5-Phenylmorphans and Cis-Octahydroisoquinolines

, Authors: Abdulrahman Mahgoub, Jagadish Khamrai, Obakpolor Festus, Ryan Altman
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-m3v4p-v2
 
Subject: Chemistry
,
Review
, Title:

Flavonoid-Pectin Conjugates: Towards Broad Scope Therapeutic Agents

, Authors: Caterina Di Sano, Claudia D'Anna, Giovanna Li Petri, Francesco Meneguzzo, Giuseppe Angellotti, Rosaria Ciriminna, Mario Pagliaro
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-0vrqh
 
Subject: Philosophy
,
Working Paper
, Title:

Cogito in the shared world: Re-evaluating the problem of other minds

, Authors: Amrit Pathak
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.33774/coe-2025-4vhr0
 
Subject: Chemistry
,
Review
, Title:

Efficiency modification for Si photovoltaic with IR absorber β-FeSi2 by Maximum Power Point Tracking system

, Authors: hirofumi kakemoto
Version undefined posted 10 June 2025
Posted
Jun 10, 2025
10.26434/chemrxiv-2025-6745t
 
Subject: Chemistry
,
Working Paper
, Title:

Multiscale End-point Screening with Extended Tight-binding Hamiltonians

, Authors: Xiaohui Wang, Sai Li, Zuo-yuan Zhang, Linqiong Qiu, Zhaoxi Sun
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-lgp4h
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting the Morphology of Cobalt, Copper, and Ruthenium on TaN for Interconnect Metal Deposition

, Authors: Karl Ronnby, Michael Nolan
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2024-q9zjf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Bowl-Shaped Corannulene Donor-Acceptor Emitter Unlocks Host-Modulated TADF/RTP for Oxygen Sensing

, Authors: Changfeng Si, Jingxiang Wang, Oliver Lee, David Cordes, Jay Siegel, Eli Zysman-Colman
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-hrpfl
 
Subject: Chemistry
,
Working Paper
, Title:

A numerically exact calculation of vibration-rotation-tunnelling levels of water dimer on a new accurate potential energy surface: achieving sub-cm−1 accuracy from the terahertz to the infrared

, Authors: Xiao-Gang Wang, Shuo Yang, Tucker CARRINGTON, Dong Zhang
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-0dfbl
 
Subject: Chemistry
,
Working Paper
, Title:

Heavy atom effect in oxovanadium(IV) quantum bits

, Authors: Olga Mironova, Giacomo Bellini, Alessio Nicolini, Manuel Imperato, Antonio Ranieri, Marco Borsari, Matteo Briganti, Rodolphe Clérac, Mathieu Rouzières, Enrico Salvadori, Maria Chiara Pagliero, Mario Chiesa, Andrea Cornia
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-l5n9j
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking Large-Area Free-Standing MOF-Glasses for Molecular Sieving Gas Separation Membranes

, Authors: Oksana Smirnova, Alexis Duval, Ayisha Komal, Laura Calderón Rodríguez, Roman Sajzew, Felix H. Schacher, Lothar Wondraczek, Alexander Knebel
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-5nxmz
 
Subject: Chemistry
,
Working Paper
, Title:

Control of Copper Morphology on TaN through Surface Point Defects

, Authors: Karl Ronnby, Michael Nolan
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-sc3j0
 
Subject: Chemistry
,
Working Paper
, Title:

Charting the Chemical Space of Zintl Phases with Graph Neural Networks and Bonding Insights

, Authors: Rinkumoni Chaliha, Manish Kumar Kothakonda, Cheng-Wei Lee, Jeffrey N. Law, Qian Yang, Svilen Bobev, Prashun Gorai
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-sgj1q
 
Subject: Chemistry
,
Working Paper
, Title:

In situ Observation of Nanoparticle Photocharging: Gold Nanorods as Photochemical Capacitors

, Authors: Felix Stete, Matias Bargheer, Wouter Koopman
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2023-v4824-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Construction of Higher-Ordered Structures in Alkylpyridinium-Based Polymers via π-Conjugated Anion Pairing and Humid Annealing

, Authors: Erika Saito, Shuji Okada, Shotaro Nishitsuji, Jun Matsui, Ryohei Yamakado
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-pm79l
 
Subject: Chemistry
,
Working Paper
, Title:

Green-Emissive Ferroelectric Optical Thermometer Based on Cyclometalated Dicyanidoplatinate(II) Ions

, Authors: Pawel J. Bonarek, Jan Rzepiela, Michal Liberka, Jakub J. Zakrzewski, Karol Wolski, Junhao Wang, Hiroko Tokoro, Shin-ichi Ohkoshi, Fumitaka Kagawa, Szymon Chorazy
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-70v85
 
Subject: Chemistry
,
Working Paper
, Title:

Room-temperature molecular luminescent ferroelectrics based on chiral molecular hybrids incorporating polycyanidometallate ions

, Authors: Jan Rzepiela, Michał Liberka, Junhao Wang, Hiroko Tokoro, Shin-ichi Ohkoshi, Sebastian Baś, Fumitaka Kagawa, Szymon Chorazy
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-bgf4j
 
Subject: Chemistry
,
Working Paper
, Title:

Multifunctional Uranyl-Based Framework with Labile Coordination Sites: Proton Conduction, Switchable Luminescence, Dielectric Relaxation, and Visible-Light Photochromism

, Authors: Jakub J. Zakrzewski, Aleksander Hoffman, Junhao Wang, Michał Magott, Hiroko Tokoro, Shin-ichi Ohkoshi, Szymon Chorazy
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-z7tp6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated Stability Testing Protocol for Photoelectrodes: A Case Study with BiVO4

, Authors: Maddalena Zoli, Marcel Risch
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-m434f
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Liner Properties on the Analysis of Lysergic Acid Diethylamide (LSD) Analogs

, Authors: Sarah Shuda
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-q7jm0
 
Subject: Chemistry
,
Working Paper
, Title:

Indole Ring Expansion with TMSCCl3/TMSCBr3

, Authors: Zhixin Wang, Hanxiao Xu, Xuanzhen Han, Jin Zhu
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-9c0bl
 
Subject: Chemistry
,
Working Paper
, Title:

CYCLO70: A New Challenging Pericyclic Benchmarking Set for Kinetics and Thermochemistry Evaluation

, Authors: Javier Alfonso-Ramos, Carlo Adamo, Eric Brémond, Thijs Stuyver
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-vqx4m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of charge carriers and quantification of diffusion coefficients in the energy landscape of S53P4 bioglass.

, Authors: Kevin Rein, Martin Schäfer, Youssef Elbishbishy, Karl-Michael Weitzel
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-5nw61
 
Subject: Chemistry
,
Working Paper
, Title:

Clustering and Analyzing Ensembles of Residue Interaction Networks from Molecular Dynamics Simulations

, Authors: Leon Franke, Christine Peter
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-87rgw
 
Subject: Chemistry
,
Review
, Title:

Emerging Perspectives in Non-Newtonian Fluid Dynamics: Research Gaps, Evolving Methods, and Conceptual Limitations

, Authors: Ashish Garg, Bhargav Akkinepally, Jayati Sarkar, Sudip K. Pattanayek
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-9x1kj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

POLARIS: Perovskite Optimization using LLM-Assisted Refinement and Intelligent Screening

, Authors: Jordan Marshall, Sheryl Sanchez, Rushik Desai, Elham Foadian, Utkarsh Pratiush, Arun Mannodi-Kanakkithodi, Sergei V. Kalinin, Mahshid Ahmadi
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-qqchd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Antileishmanial and Antitoxoplasmal Activities of 1,4-dihydropyridines

, Authors: Thaís Oliveira, Yan Robles, Ibrahim Al Nasr, Waleed Koko, Tariq Khan, Ismail Daoud, Seyfeddine Rahali, Noureddine Amdouni, Ridha Ben Said, Antônio Crotti
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-kg8p8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photophysical properties of iridium complexes containing diamine ancillary ligands in the presence of phenylpyridine as cyclometalated ligand

, Authors: Mona Sunaydih Alsaeedi
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-3451f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Modeling Strong Light-Matter Coupling in Correlated Systems: State-Averaged Cavity Quantum Electrodynamics Complete Active Space Self-Consistent Field Theory

, Authors: Nam Vu, Kenny Ampoh, Mikuláš Matoušek, Libor Veiss, Niranjand Govind, Jonathan Foley
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-q6rfm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Closed-Loop: Vision-Guided Experimental Control in Self-Driving Labs

, Authors: Rama El-khawaldeh, Ryan Corkery, Wenyu Zhang, Nahian Khan, Kavan Jakuba, Matthew Reish, Kris Jones, Michael Roy, Sebastien Monfette, Jason Hein
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-sxfvl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Degradative Alcohol Functionalization by Titanocene Photocatalysis

, Authors: Jagrut Atul Shah, Ashley Lojko, Zilu Tang, Yetong Lin, Emma Scher, Celeste Barefoot, Jeffrey Lipshultz
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-vg021
 
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 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-t5whw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Sunscreen Sensory Attribute Prediction via Textural, Rheological, and Tribological Tests

, Authors: Günel Nabiyeva, Baran Teoman, Andrei Potanin, Gennady Gor
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-68x4f
 
Subject: Chemistry
,
Working Paper
, Title:

Identifying Antibiotic Effects of Investigational Drugs on Commensal Bacteria with Machine Learning

, Authors: Hrshita Gowda, Wenbo Lu, Paul Skaluba, Yan Xiang, Jessica McCann, Laura McCoubrey, John Rawls, Ophelia Venturelli, Daniel Reker
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-lddpg
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal switching of dielectric response linked with photoluminescence in DABCOnium-based hybrids involving cyclometallated dicyanidoiridate(III) and dicyanidorhodate(III) ions

, Authors: Jan Rzepiela, Kinga Szczecińska, Tomasz Charytanowicz, Sebastian Baś, Jakub J. Zakrzewski, Szymon Chorazy
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-294mz
 
Subject: Chemistry
,
Working Paper
, Title:

A Machine Learning Potential for the in silico Design of Functional Organic Molecular Crystals

, Authors: Vinayak Bhat, Chad Risko
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-2dtsp
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Large-Area Crystalline Few-Layer γ-Graphyne Films at a Liquid/Liquid Interface

, Authors: Claire Bolding, William Martin, Tejaswini Haraniya, Julian Ignacio Deagueros, Xiaotong Li, Logan Heck, Ezra Kone, Victor Desyatkin, Zhengjie Huang, Will Linthicum, Xuan Gao, Xuedan Ma, Valentin Rodionov
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-3qbbv
 
Subject: Chemistry
,
Working Paper
, Title:

Pore-intrusion of Polymeric Binder in Supercapacitor Electrodes Decreases Capacitance

, Authors: Julia Im, Xinyu Liu, Christopher A. O'Keefe, Clare P. Grey, Alexander C. Forse
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-xxj9p
 
Subject: Chemistry
,
Working Paper
, Title:

Estimating Total Polyphenol Content of Ilex paraguariensis Water Extracts Using Colorimetric Methods and Machine Learning

, Authors: Gustavo Nocera Santiago, Amanda de Freitas Wendt, Pietra Costa Putarov, Thatiane Suzana Alves Pereira, Ignacio Ciampitti
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-6jnt3
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen cyanide generation from amino acids for prebiotic evolution

, Authors: Zening Yang, Yamei Li, Norio Kitadai, Masahiro Yamamoto, Yuichiro Ueno, Ryuhei Nakamura
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-8wlmn
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of Fiber Modification on the Mechanical Properties of Solution-Cast Poly(vinyl chloride) Films Reinforced by Aramid Fibers

, Authors: Adekunle L. Omoniyi, Kushal Panchal, Roozbeh Mafi, Li Xi
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-rskpp
 
Subject: Chemistry
,
Working Paper
, Title:

A reaction-diffusion frame for accessing metabolic O2 fluxes in single microalgae cells with low-cost wide-field imaging of nanosensor luminescence lifetime

, Authors: Hélène Merceron, Eliora Israelievitch, Valentine Rollot, Theo Villarubias, Xiaojiang Xie, Thomas Le Saux, Karim Benzerara, François Guyot, Alix Boulouis, Emmanuelle Marie-Bègue, Laurent Thouin, Ludovic Jullien
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-xjxdb
 
Subject: Chemistry
,
Review
, Title:

Molecular Paleontology Meets Drug Discovery: The Case for De-Extinct Antimicrobials

, Authors: Rumiana Tenchov, Qiongqiong Angela Zhou
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-crtkq
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Nitrite Reduction Enabled by Secondary Sphere Hydrogen Bonds within Non-Heme Iron Complexes

, Authors: Andrew LaDuca, Jared Gonder, Writhabrata Sarkar, John Gilbertson, Nathaniel Szymczak
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-2cp91-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Microplastic Remediation in Aqueous Systems via TiSiO4–Fe3O4 Microbots

, Authors: Anish Malepati, Yoshi Sarkar
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-r60ch
 
Subject: Chemistry
,
Working Paper
, Title:

DeePEST-OS: A Generic Machine Learning Potential for Accelerating Transition State Search in Organic Synthesis

, Authors: Kaipai Ren, Kun Tang, Yujing Zhao, Lei Zhang, Jian Du, Qingwei Meng, Qilei Liu
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-mzz6w
 
Subject: Chemistry
,
Working Paper
, Title:

Argininosuccinate Synthetase-Like Enzyme Drives Nitrile Formation in Fungal Natural Products Biosynthesis

, Authors: Zhizeng Gao, Yujing zeng, Keke Zhang, Tiantian Lu, Xinjian Yin, Qiang Wang, Heng Guo, Jing Li, Xuefeng Lu, Lan Liu, Honglei Ma
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-kh8jn
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Sensitive "Covalent-Assembly" Fluorescent Probe for Cyanide Detection in Pure Aqueous Media and Real Water Samples

, Authors: Vincent Gaumerd, Yoan Capello, Manhattan Lebrun, Michel Chalot, Pierre-Yves Renard, Anthony ROMIEU
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-kssvc
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced Cleavage of Alkenyl Fluorides for Nucleophilic Acyl Substitution via In Situ Generated Acyl Fluorides

, Authors: Emma Gogarnoiu, Melissa Griffin, Ajay Bansode, Joshua Paolillo, Joseph Bergen, Marvin Parasram
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-jgr1s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

From Rings to Properties: Understanding the Effect of Annelation on Pyrene

, Authors: Alexandra Wahab, Renana Gershoni-Poranne
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-j7bmq
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental evidence for the solid-state nitrite-ligand photoisomerization mechanism in nickel(II) square planar complexes

, Authors: Krystyna A. Deresz, Artem Mikhailov, Joanna Jankowska, Lorenzo Donà, Bartolomeo Civalleri, Adam Krówczyński, Radosław Kamiński, Dominik Schaniel, Katarzyna N. Jarzembska
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-7tm03
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields

, Authors: Adil Kabylda, J. Thorben Frank, Sergio Suarez Dou, Almaz Khabibrakhmanov, Leonardo Medrano Sandonas, Oliver T. Unke, Stefan Chmiela, Klaus-Robert Müller, Alexandre Tkatchenko
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2024-bdfr0-v3
 
Subject: Chemistry
,
Review
, Title:

The Intersection of Artificial Intelligence, Automation, and CRISPR-Cas9 in the Design of Universal Pandemic Vaccines

, Authors: Shreya Bhat, Debaprasad Mukherjee
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-q3nc5
 
Subject: Chemistry
,
Working Paper
, Title:

Integrative data science in mass spectrometry: connecting molecular structures with diverse mass spectrometry fragmentation behaviours

, Authors: Stepan Stepanovic, Romain Giraud, Gérard Hopfgartner
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-3hf5c
 
Subject: Chemistry
,
Working Paper
, Title:

Nonaromatic Polyacrylamide Eutectogels with Ultralong Room-temperature and High-temperature Phosphorescence

, Authors: Xuanshu Zhong, Yunhao Bai, Guo Qiao, Yunqi Shi, Wendi Xie, Jinsheng Xiao, Junwen Deng, Hanfeng Duan, Yunqing Zhang, Huiliang Wang
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-f71sx
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning nitrate electroreduction selectivity via doping of nickel phosphide nanocrystals

, Authors: Emily Nishiwaki, Emily Miura-Stempel, Quinn Brouhle, Brandi Cossairt
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-d55c6
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N2

, Authors: Qinghui Meng, Yinan Shu, Zoltan Varga, Dayou Zhang, Donald Truhlar
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-9bvmr
 
Subject: Chemistry
,
Working Paper
, Title:

Degradation-assisted doping of organic semiconductors: a strategy towards higher p-doping efficiency enabled by Lewis acids

, Authors: Melissa Berteau-Rainville, Taylor P. L. Cosby, Shubham Bhagat, Amy E. Laturski, Emanuele Orgiu, Thomas Baumgartner, Christopher B. Caputo, Ingo Salzmann
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-sk168
 
Subject: Chemistry
,
Working Paper
, Title:

Gaining quantitative fidelity from Raman spectra in regimes of large and varying fluorescence

, Authors: Mahsa Zarei, Austin Rothwell, Luke Melo, Sadegh Shokatian, Edward Grant
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-zvz1c
 
Subject: Chemistry
,
Working Paper
, Title:

SERS Imaging and ICP-MS quantification of the biological uptake of nanoplastics using a dual-detectable model material

, Authors: Mingjiu Liu, Anupam Das, Nubia Zuverza-Mena, Craig Musante, Jason White, Chi Wang, Huiyuan Guo
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2024-zt155-v3
 
Subject: Chemistry
,
Review
, Title:

Møller-Plesset Adiabatic Connection Theory for Diverse Noncovalent Interactions

, Authors: Etienne Palos, Heng Zhao, Kimberly J Daas, Eduardo Fabiano, Francesco Paesani, Stefan Vuckovic
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-cklf9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Oxygen-Tolerant Electrochemical CO₂ Capture with Doubled CO₂ Modulation per Electron

, Authors: Fang-Yu Kuo, Akachukwu D. Obi, Glen P. Junor, Betar M. Gallant
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.26434/chemrxiv-2025-dp67x
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Political Polarization in Contemporary Democracies: Dynamics, Challenges, and Remedies

, Authors: Banat Singh
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.33774/apsa-2025-w7vxj
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Taken at Face Value: How Emotion Expression Does and Does Not Affect Protest Dynamics

, Authors: Ishaan Prasad, Zachary Steinert-Threlkeld
Version undefined posted 11 June 2025
Posted
Jun 11, 2025
10.33774/apsa-2025-ftqx3
 
Subject: Chemistry
,
Working Paper
, Title:

A 54.6 GHz Clock Transition in Ho3+ Electron Spin Qubits Assem-bled into a Metal-Organic Framework

, Authors: Miguel Gakiya-Teruya, Robert Stewart, Linqing Peng, Shuanglong Liu, Chenghan Li, Hai-Ping Cheng, Garnet Chan, Stephen Hill, Michael Shatruk
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-s62qg
 
Subject: Chemistry
,
Working Paper
, Title:

Environmental Monitoring of River Basins in Vietnam Using In Vitro Bioassays

, Authors: Trung Quang Nguyen, Thao Thanh Nguyen, Minh Ngoc Truong, Minh Quang Bui
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-c6bkz
 
Subject: Chemistry
,
Working Paper
, Title:

CaTS: Toward Scalable and Efficient Transition State Screening for Catalyst Discovery

, Authors: Jun Yin, Wentao Li, Honghao Chen, Jiangjie Qiu, Huasheng Feng, Xiangya Xu, Qiuyan Jin, Xiaonan Wang
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-5kp9m
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic conversion of CO2 using various TiO2 modified with Ag and Co dual cocatalysts via an ultrasonic reduction method

, Authors: Kio Kawata, Saki Maeda, Shoji Iguchi, Shimpei Naniwa, Masamu Nishimoto, Kentaro Teramura
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-nskxp
 
Subject: Chemistry
,
Working Paper
, Title:

Three-Dimensional COF with “the” Topology as Enzyme Host: Comparative Insights into Activity, Stability, and Reusability in Surface versus Pore Immobilization Strategies

, Authors: Kohki Sasaki, Tsukasa Irie, Jin Sakai, Yu Zhao, Mika Nozaki, Tokuhisa Kawawaki, Saikat Das, Teng Ben, Yuichi Negishi
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-ng1gf
 
Subject: Chemistry
,
Working Paper
, Title:

A Redox-Active Tetrathiafulvalene-Based Three-Dimensional Covalent Organic Framework with scu Topology for Controllable Charge Transport

, Authors: Tsukasa Irie, Jonas F Pöhls, Saikat Das, Jin Sakai, Kohki Sasaki, Mika Nozaki, Luming Yang, Marina Bennati, Roland A. Fischer, R. Thomas Weitz, Qianrong Fang, Yuichi Negishi
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-0130d
 
Subject: Chemistry
,
Working Paper
, Title:

Solvent-Mediated Electrolyte Design for Calcium Metal Batteries

, Authors: Zaher Slim, Carolina Cruz-Cardona, Clément Pechberty, Tomooki Hosaka, Zoran Mandić, Vladimir Panic, Patrik Johansson
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-rwt9q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Novel GPU engines for virtual screening of giga-sized libraries identify inhibitors of challenging targets.

, Authors: Eugene Raush, Maxim Totrov, Cody Hoop, Kevin Knowlan, Remington Bianchi, Nadya Tarasova
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-vnqp7
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Phenol Removal from Coke-Oven Wastewater by Ozonation Coupled with Surface-Modified Laterite

, Authors: Linh Hai Hoang, Trung Quang Nguyen, Thao Thanh Nguyen, Minh Ngoc Truong, Minh Quang Bui
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-tgghp
 
Subject: Chemistry
,
Working Paper
, Title:

Three-Component Glycosylation of Transient Hemiacetals Towards Tunable BisAcetal-Based Substrates.

, Authors: Pigweh Isa Amos, Luciani Mery, Samaneh Zarei, Samy Cecioni
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-3x54v
 
Subject: Chemistry
,
Working Paper
, Title:

Vibrational bottleneck of magnetic relaxation in single-ion endohedral fullerenes

, Authors: Noah A. Huerta, Aman Ullah, Vsevolod D. Dergachev, Sergey A. Varganov
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-5ptx8
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling Borane Complexes with N, O Chelation: Synthesis, Reactivity, and Photophysical Properties

, Authors: Rahul Kumar Yadav, Darakshan Parveen, Ritesh Kumar Sahu, Bijan Mondal, Dipak Kumar Roy
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-c9j78
 
Subject: Chemistry
,
Working Paper
, Title:

Internally Quenched Fluorescent Peptides Provide Insights into Underexplored and Reversible Post-Translational Modifications

, Authors: Jordi Hintzen, Kamiel Beckley, Emily Goldberg, George Burslem
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-44bfh
 
Subject: Chemistry
,
Working Paper
, Title:

Precise Synthesis of ~1-nm Iridium Nanoclusters as a Catalyst for Highly Efficient Oxygen Evolution

, Authors: Tokuhisa Kawawaki, Kotaro Sato, Maho Kamiyama, Yamato Shingyouchi, Masaki Ogami, D. J. Osborn, Gregory F. Metha, Yuichi Negishi
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-ggw9x
 
Subject: Chemistry
,
Working Paper
, Title:

Electrospun Mo-SiO2 Nanofibers as Heterogeneous Catalysts for Propylene Metathesis

, Authors: Tomas Pokorny, Ran Zhu, Lucie Simonikova, Ales Styskalik, Yuriy Román-Leshkov, David Skoda
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-kdxwh
 
Subject: Chemistry
,
Working Paper
, Title:

Measuring Nitroprussside and Ferrocyanide with Quantitative UV-Vis using FlareLab

, Authors: Lukas Rossmanith, Sofia K. Platymesi, Samantha J. Thompson, Paul B. Rimmer
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-d3ltb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Regenerable Luminescent Triarylborane Lanthanide Metal-Organic Frameworks as Solid-State Small Molecule Sensors

, Authors: Sarah Englehart, Mason Lawrence, Barry Blight
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-m6005
 
Subject: Chemistry
,
Working Paper
, Title:

Higher-Level Structural Organization of Pseudomonas Cyclic Lipopeptides through Exploration of Their Bioactive Conformation

, Authors: Benjámin Kovács, Durga Prasad, Vic De Roo, Niels Geudens, Matthias Vanheede, Penthip Muangkaew, Annemieke Madder, Monica Höfte, René De Mot, José C. Martins
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-lt43z
 
Subject: Chemistry
,
Working Paper
, Title:

Palladium-Catalyzed Heteroannulation of Bdan-Capped Alkynes: Rapid Access to Complex Indole Scaffolds

, Authors: Dean Roberts, John Halford-McGuff, Marek Varga, Aidan McKay, Allan Watson
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-8q1r1
 
Subject: Chemistry
,
Working Paper
, Title:

1,6-Hydrosulfonylation of para-Quinone Methides Enabled via Strain Release-/Aromaticity-Driven Alkyl Radical Generation and SO2-Capture: Synthesis, Computational and Antiproliferative Activity of Sulfonylated Diarylmethanes

, Authors: Dipun Kumar Penthi, Tonish Kumar Sahu, Rahimuddin Khan, Shanti Gopal Patra, Tabrez Khan
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-x32fz
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of the Marine Biodegradability of Nylon 6 and Nylon 6,6 Copolymer Fishing Lines

, Authors: Shota Ando, Daisuke Kasai, Takashi Masaki, Eri Ueno, Megumi Akiyama, Namiko Gibu, Yingjun An, Takako Kikuchi, Maina Yonemura, Dai-ichiro Kato, Hirofumi Hinata, Atsushi Takahara, Kohzo Ito
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-cbmb0
 
Subject: Chemistry
,
Working Paper
, Title:

Unexpected oversolubility of CO2 measured at electrode-electrolyte interfaces

, Authors: Zeke Coady, Samuel Brookes, Zhaohan Shen, Benjamin Rhodes, Grace Mapstone, Zhen Xu, Wei Yu, Hirotomo Nishihara, Christoph Schran, Angelos Michaelides, Alexander Forse
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-r7jr6
 
Subject: Chemistry
,
Working Paper
, Title:

Polymorph-induced reducibility and electron trapping energetics of Nb and W dopants in TiO2

, Authors: Amit Chaudhari, Andrew Logsdail, Andrea Folli
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-k90kd-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A molecular dynamics strategy to investigate the effect of liquid additives in liquid-assisted mechanochemistry

, Authors: Michael Ferguson, Yonger Xie, Audrey Moores, Tomislav Friščić
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-mtvdw
 
Subject: Chemistry
,
Working Paper
, Title:

Diphospine-dioxide-containing Yb(III) and Er(III) molecular magnets in luminescent dicyanidometallate(I)- and Eu(III)-based frameworks

, Authors: Aleksander Hoffman, Maja Romanowska, Mikolaj Zychowicz, Sebastian Baś, Jakub J. Zakrzewski, Szymon Chorazy
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-f71dt
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding How Pauli-repulsion is Decisive in the Aggregation of PNNP Copper Hydride Complexes

, Authors: Roel L. M. Bienenmann, Chattawat Thangsrikeattigun, Alexandra J. Schanz, Martin Lutz, Mu-Hyun Baik, Daniel L. J. Broere
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-zsnkg
 
Subject: Chemistry
,
Working Paper
, Title:

Application of perovskite type oxide materials to highly sensitive piezoelectric elements for finger-tip blood pressure monitoring

, Authors: hirofumi kakemoto
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-cp5w1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

High-Speed Terpene Pathway Analysis via Double-ended Transition State Search Method Combined with ML Potentials Uncovers the Intricate Rearrangement Reaction in Spiroalbatene Biosynthesis

, Authors: Moe Nakano, Masayuki Karasawa, Takuto Ohmura, Tohru Terada, Hajime Sato
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-md8k6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Versatile positional editing of diverse functional groups through radical 1,2-boron shifts

, Authors: Wenwen Zhang, Shuxin Mao, Mengqi Peng, Yumeng Xi
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-61whz
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical CO2 Capture by a Quinone-based Covalent Organic Framework

, Authors: Muhammad Abdullah Khan, Zhen Xu, Muhammad Muzammil, Samuel Bird, Monica Munawar, Fariah Salam, Niamh Hartley, Jack Taylor, Kamran Amin, Jianheng Ling, Henry R. N. B. Enninful, Naveed Zafar Ali, Kai Hetze, Sijia Cao, Yan Lu, Zhixiang Wei, Martin Oschatz, Phillip John Milner, Alexander C. Forse
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-jhdmv
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled Design of Guanidinium-Functionalized Methacrylamides: Tuning Polyplex Formation and Transfection Efficiency through Hydrophobic and pH-Responsive Motifs

, Authors: Jan Egger, Markus Kötzsche, Nazita Tavazohi, Lien S. Reichel, Andreas Dzierza, Anja Traeger, Kalina Peneva, Dagmar Fischer
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-hwjjl
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Solvent System as a novel approach in sustainable pyrazolate MOF crystallization

, Authors: Leonid Shupletsov, Schieck Alina, Irena Senkovska, Volodymyr Bon, Stefan Kaskel
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-xz57g
 
Subject: Chemistry
,
Working Paper
, Title:

Charge Scaling Force Field for Biologically Relevant Ions Utilizing a Global Optimization Method

, Authors: Shujie Fan, Philip E. Mason, Víctor Cruces Chamorro, Brennon Shanks, Hector Martinez-Seara, Pavel Jungwirth
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-k63tq
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of in vitro Schistosomicidal and Trypanocidal Activity of Leaf Extracts of Hancornia speciosa

, Authors: Nicole Christian da Silva Leite, Nicoli Dias Oliveira, Lucas Antônio de Lima Paula, Caio Marins Rodrigues Souza, Carolina Ferreira Vaz, Miqueias Ferreira Gomes, Marcus Vinicius Vieitas Ramos, Lizandra Guidi Magalhães, Herbert Júnior Dias
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-m5j57
 
Subject: Chemistry
,
Working Paper
, Title:

Statistical Curation of Thermophysical Data: Resolving Conflicted Activity Coefficients in ILThermo for Machine Learning

, Authors: Hedayat Haddadi, Adam Kloskowski
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-3lmfx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

NMR-Derived Salt Bridges in Insulin Analog: Resolving Artifactual Overbinding in Molecular Dynamics via Charge Scaling

, Authors: Ngoc Lan Le Nguyen, Jiri Zak, Pavel Jungwirth, Martin Lepsik
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-p1mld
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing Surrogate Models for Data-efficient Predictive Chemistry: Descriptors vs. Learned Hidden Representations

, Authors: Guanming Chen, Thijs Stuyver
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-3l5q7
 
Subject: Chemistry
,
Working Paper
, Title:

Au/CaO as a highly active heterogeneous catalyst for aerobic oxidation of aliphatic alcohols in water-based mild conditions

, Authors: Richard Martin, Lucas Bisel, Aurélie Fossey-Jouenne, Sébastien Paul, Anne Zaparucha, Egon Heuson
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-220r1
 
Subject: Chemistry
,
Working Paper
, Title:

Local Molecular Properties of Non-Interacting and Hydrogen-Bonded Water Systems in Vibrational Strong Coupling Regimes

, Authors: Xunkun Huang, WanZhen Liang
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-kmz9j
 
Subject: Chemistry
,
Working Paper
, Title:

Re-Organization of Water at Aqueous Aluminum Chloride (AlCl3) Interfaces: Vibrational Sum Frequency Generation and Molecular Dynamic Simulation

, Authors: Biswajit Biswas, Mohammadhasan Dinpajooh, Gwendolyn Nieto, Narendra Adhikari, Gregory Schenter, Shawn Kathmann, Christopher Mundy, Heather Allen
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-vk6rd
 
Subject: Chemistry
,
Working Paper
, Title:

Lighting Up Polynitrodopamine: From Electropolymerization to Photopatterning of Ultrathin Films

, Authors: Marcel Boecker, Julia Moser, Tommaso Marchesi D`Alvise, Christof Neumann, Sean Harvey, Andrey Turchanin, Christopher Synatschke, Tanja Weil
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-zp9mq
 
Subject: Chemistry
,
Working Paper
, Title:

Membrane-anchored polyproline provides controlled micro-domain formation and permeability in lipid vesicles

, Authors: Rosanna Le Scouarnec, Emmanuel Ibarboure, Lena Léna Alembik, Sébastien Lecommandoux, Jeanne Leblond Chain, Colin Bonduelle
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-wkpfs-v3
 
Subject: Chemistry
,
Review
, Title:

Organic Spin-State Photoswitches

, Authors: Takuma Miyamura, Joel Schlecht, Oliver Dumele
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-kbcd3
 
Subject: Chemistry
,
Working Paper
, Title:

Online Coupling of Acoustic Droplet Levitation with Capillary Electrophoresis Mass Spectrometry Enables Midair Enrichment for Improved Proteomic Sensitivity

, Authors: Dashuang Jia, Peter Nemes
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-gdq21
 
Subject: Chemistry
,
Working Paper
, Title:

You Only Put Your Nanoparticle: A Fully Automated System for Nanoparticle Washing Enabled by Vision and Language AI

, Authors: Heeseung Lee, Daeho Kim, Heyin Lee, Namyoung Gwak, Nayeon Kim, Hyuk Jun Yoo, Taekyung Yu, Nuri Oh, Seok Su Sohn, Sang Soo Han
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-px33t
 
Subject: Chemistry
,
Working Paper
, Title:

Interactions of Common Synthesis Solvents with MOFs Studied via Free Energies of Solvation: Implications on Stability and Polymorph Selection

, Authors: Fernando Fajardo-Rojas, Ryther Anderson, Katherine Ardila, Alexander Pak, Diego Gomez-Gualdron
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-3phk2
 
Subject: Chemistry
,
Working Paper
, Title:

A Pressure Gap in Fischer-Tropsch Synthesis Revealed with Multi-bar Soft X-ray Spectroscopies

, Authors: Peixi Cong, Joshua Gibson, Elizabeth Jones, Jack Swallow, Longxiang Liu, Leanne Jones, Ignacio Garcia, Virginia Perez-Dieste, Robert Weatherup
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-0cgp0
 
Subject: Chemistry
,
Working Paper
, Title:

Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation

, Authors: Shebual Sebastian, Vaughan Riley, Binuki Wanniarachchi, Chris Ritchie, Lars Goerigk
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-1mqbt-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Characterization and of Gas-Phase Native(-Like) Proteins Using Structures for Lossless Ion Manipulations

, Authors: Jung Lee, Viraj Gandhi, Christopher Harrilal, Amar Parvate, Harsh Bhotika, Stephanie Thibert, Ashley Ives, Xin Zhang, Gregory Schenter, Carlos Larriba-Andaluz, James Evans, Yehia Ibrahim, Sandilya Venkata Bhaskara Garimella
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.26434/chemrxiv-2025-xnx1z
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Consumer-funded Policies in Energy Transition: An introduction, an analytical framework and empirical case studies from Germany and the UK

, Authors: Mehmet Hecan
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.33774/apsa-2025-8s6xj-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Why (Not) Talk About Human Rights? Politics in the Global Digital Compact

, Authors: Sara Morrell
Version undefined posted 12 June 2025
Posted
Jun 12, 2025
10.33774/apsa-2025-r5kbg
 
Subject: Chemistry
,
Working Paper
, Title:

Reaction-guided metabolomics accelerates high-throughput characterization of the xenobiotic metabolites for human exposome

, Authors: Haoduo Zhao, Yun-chung Hsiao, Chih-Wei Liu, Jiahao Feng, Xueying Wang, Jingya Peng, Taylor Teitelbaum, Kun Lu
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-k27wg
 
Subject: Chemistry
,
Working Paper
, Title:

Reliable element-specific d-band analysis of transition metal nanoparticles using X-ray absorption spectroscopy

, Authors: Tyler Joe Ziehl, Peng Zhang
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-vjfjs
 
Subject: Chemistry
,
Working Paper
, Title:

Single-Molecule DNA Tweezers Enable Programmable Control of Enzyme Activity via Arbitrary Molecular Cues

, Authors: Shivudu Godhulayyagari, Sara Nixon, Devleena Samanta
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-l1l2h
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Environmental Control for Regiodivergent Epoxide Ring-Openings

, Authors: Anushka Asurumunige, Sebastian Malespini III, Tish Huynh, Nia Shields, Kerry Gilmore
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-grmdr
 
Subject: Chemistry
,
Working Paper
, Title:

Fractional Charge Density Functional Theory Elucidates Electro-Inductive and Electric Field Effects at Electrochemical Interfaces

, Authors: Jun-Hyeong Kim, Weitao Yang
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-6qqfb
 
Subject: Chemistry
,
Working Paper
, Title:

A single multifunctional enzyme mediates a sequential three-step biocascade

, Authors: Xinxin Zhu, Gao-Wei Zheng, Yongtao Xie, Fei-Fei Chen, Wen-Qing Zheng, Ze-Xuan Wei, Jian-He Xu
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-0ck95
 
Subject: Chemistry
,
Working Paper
, Title:

Electromechanical Switching in DNA-CNT supramolecular structures

, Authors: Olaiyan Alolaiyan, Arpan De, M. P. Anantram
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-8k6rw
 
Subject: Chemistry
,
Working Paper
, Title:

AI+Chemistry Education in Top Chinese University: Embedding Computational Thinking into Curriculum

, Authors: Rui Wang
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-8kh8t
 
Subject: Chemistry
,
Working Paper
, Title:

Antiadhesive glycoconjugate metal complexes targeting pathogens Pseudomonas aeruginosa and Candida albicans

, Authors: Karolina Wojtczak, Emilie Gillon, Diana Bura, Karen Richmond, Megan Joyce, Emma Caraher, Keela Kessie, Trinidad Velasco-Torrijos, Cristina Trujillo, Anne Imberty, Kevin Kavanagh, Gordon Cooke, Joseph P. Byrne
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2024-wkdpf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Spin-forbidden excitation of [Ru(bpy)3]2+ enables red light driven photocatalysis

, Authors: Géraud Chacktas, Taline Kerackian, Björn Pfund, Maud Villeneuve, Didier Durand, Nicolas Fabre, Celine Fiorini-Debuisschert, Oliver S. Wenger, Eugénie Romero
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2024-mvk0z-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous Synthesis and Inverse Design of Electronic Polymers with High Efficiency and Accuracy

, Authors: Yukun Wu, Aikaterini Vriza, Doga Ozgulbas, Rafael Vescovi, Jianing Zhou, Zhiyang Wang, Shiyu Hu, Yuepeng Zhang, Qiaomu Yang, Anna Österholm, John Reynolds, Subramanian Sankaranarayanan, Maria Chan, Ian Foster, Henry Chan, Jianguo Mei, Jie Xu
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-9pqc0
 
Subject: Chemistry
,
Working Paper
, Title:

Ionic Liquid--Electrode Interface: from One Law To Fit Them All to One Model To Predict Them All

, Authors: Ba-Long Nguyen, Vladislav Ivanistsev
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-xbx4v-v2
 
Subject: Law
,
Working Paper
, Title:

Rights of Rights: Branding Natural Resources in India

, Authors: Rajanikant Patel, Riya Pandey
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.33774/coe-2025-wgvmr
 
Subject: Economics
,
Working Paper
, Title:

Caribbean Lucky Pick: Applying the Sirius Code and the Victoria-Nash Asymmetric Equilibrium for Sustainable Profitability

, Authors: Daniel Henrique Pereira
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.33774/coe-2025-w0txm
 
Subject: Psychology
,
Working Paper
, Title:

Intercellular communication: how cells created us, our emotions, and consciousness

, Authors: Alexander Khudiakov
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.33774/coe-2025-2zw0h-v3
 
Subject: Economics
,
Working Paper
, Title:

INTELLIGENT AUTOMATION FOR FDI FACILITATION: Optimizing Tariff Exemption Processes with OCR And Large Language Models

, Authors: MUHAMMAD SUKRI BIN RAMLI
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.33774/coe-2025-85185
 
Subject: Chemistry
,
Working Paper
, Title:

A Sustainable Molecular Solar Thermal (MOST) System as Renewable Solar Fuel in Water and Solid-State

, Authors: Sara Hernáez-Troya, Nil Sanosa, Alberto Giménez-Gómez, Víctor Pozo-Gavara, Diego Sampedro, Ignacio Funes-Ardoiz
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-mqmx1
 
Subject: Chemistry
,
Working Paper
, Title:

Pulsed Laser Transformed High-Entropy Metal (Oxy)Hydroxide for Highly Active Seawater Oxidation with an Operational Robustness over 400 Hours

, Authors: Wenxuan Zhou, Rui Zhou, Zixun Huang, Hye-gang Roh, Edmund Chun Ming Tse
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-2qhq9
 
Subject: Chemistry
,
Working Paper
, Title:

Interface Confinement and Electric Field Synergy Orchestrate "Ångström-Scale Chain Forest" of Undercoordinated Water: Orientation Control and Non-Monotonic Thermodynamic Response

, Authors: Miao Zhongzheng
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-5qkf8
 
Subject: Chemistry
,
Working Paper
, Title:

Solvent–Less Environmentally Benign Amino Ester, Amide, and Peptide Synthesis Enabled by Resonant Acoustic Mixing

, Authors: Nassim Maarouf-Mesli, Justin Desjardins-Michaud, Zeynab Imani, Kinshuk Ghosh, Felix Polyak, William D. Lubell
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-67qlj
 
Subject: Chemistry
,
Working Paper
, Title:

Green Luminescent CdS Quantum Dots: Synthesis, Characterization and Antifungal Activity against Aspergillus niger

, Authors: MUNMUN MIDYA CHOWDHURY, Pijus Kanti Samanta
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-02xgl
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Formation of Methane, Ethylene, and Ethane with a Bimetallic Nickel Complex: Is CO2 the Source of Carbon?

, Authors: Kaeden Teindl, Arwen Cai, Declan Graham, Kaitlin Branch, Rida Farhat, Samikshya Sahu, Alannah Hallas, Eva Nichols
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-s9bl3
 
Subject: Chemistry
,
Working Paper
, Title:

Surviving the first famine: fuel-driven polymerization-induced phase separation stabilizes protocells

, Authors: Xi Chen, Jens-Uwe Sommer, Tyler Harmon
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-tjfmg
 
Subject: Chemistry
,
Working Paper
, Title:

utils4VASP: Setup and Evaluation of Electronic Structure and Machine-Learned Interatomic Potential Simulations with VASP

, Authors: Julien Steffen, Andreas Mölkner, Maximilian Bechtel
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-k49zs
 
Subject: Chemistry
,
Working Paper
, Title:

Substantial Magnetic Fields Arising from Ballistic Ring Currents in Single-molecule Junctions

, Authors: William Bro-Jørgensen, Stephan P. A. Sauer, Gemma C. Solomon, Marc H. Garner
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-9hqwk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Conformation Driven Conductance Modulation in Single-Stranded RNA (ssRNA)

, Authors: Arpan De, Arindam K Das, M. P. Anantram
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-r0kc2
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Tetrasaccharide Repeating Units of Pseudomonas aeruginosa (Lányi) O11

, Authors: Archana Shirsat, Mahak Chhabra, Suvarn S. Kulkarni
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-wgrft
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Iterative N-C and C-C Bond Formation

, Authors: Theodore Tyrikos-Ergas, Sevasti Agiakloglou, Antonio J. Laporte, Wesley Wang, Chieh-Kai Chan, Clare E. Wells, Christopher K. Rakowski, Rachel I. Hammond, Jia Qiu, Jonathan D. Raymond, Tiago Vieira, John Limanto, Marc N. Feiglin, Daniel J. Blair, Martin D. Burke
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-fvznl-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Selective photodegradation of ketone-based polymers

, Authors: Joshua Worch, Arianna Brandolese, Alexis Perrot, Christopher Ehlert, Catherine Mollart, Jack Woolley, Connor Stubbs, Maria Arno, Maher Alraddadi, Louise Male, Callum Rosenberg, Richard Grainger, Stephen Goldup, Vasilios Stavros, Ganna Gryn'ova, Andrew Dove
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-43lnj
 
Subject: Chemistry
,
Working Paper
, Title:

In-situ studies of oxygen transport mechanisms in Ag/SrFeO3−δ materials for chemical looping catalysis

, Authors: Alexander R.P. Harrison, Felix Donat, James M.A. Steele, Joseph C. Gebers, Simon M. Fairclough, Elizabeth A. Willneff, Andrew J. Britton, Christopher L. Truscott, Christoph R. Muller, Caterina Ducati, Clare P. Grey, Ewa J. Marek
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-6wqgl
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal Imaging Using Sulfur Polymer Optics

, Authors: Samuel Tonkin, Harshal Patel, Jasmine Pople, Le Nhan Pham, Daniel Lewis, Batool Aljubran, Jason Gascooke, Christopher Gibson, Martin Johnston, Witold Bloch, Alex Bissember, Zhongfan Jia, Michelle Coote, Justin Chalker
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-wd224
 
Subject: Chemistry
,
Working Paper
, Title:

GOPAL: A water model with improved thermodynamic properties over a large pressure and temperature range optimized using multistate reweighting and configuration space mapping

, Authors: Himanshu Paliwal, Michael Shirts
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2023-383m4-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Amplification of photochemical chiroptical activity of chiral gold nanocubes

, Authors: Shashank K. Gahlaut, Oscar Avalos Ovando, Ryeong Myeong Kim, Ridwan Hussein, Sabrina Juergensen, Stephanie Reich, Alexander O. Govorov, Ki Tae Nam, Ilko Bald
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-dk8bj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Space Exploration with Artificial ”Mindless” Molecules

, Authors: Thomas Gasevic, Marcel Müller, Jonathan Schöps, Stephanie Lanius, Jan Hermann, Stefan Grimme, Andreas Hansen
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-rdsd0
 
Subject: Chemistry
,
Working Paper
, Title:

Iron-Catalyzed C–N Coupling using Polycyclic Aromatic Hydrocarbon as a Redox Mediator

, Authors: Dongran Wu, Takahiro Doba, Masaharu Nakamura
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-kqq9s
 
Subject: Chemistry
,
Working Paper
, Title:

Digital Twin for Chemical Sciences: A Case Study to Characterize Water Interactions on Ag(111) Surface

, Authors: Jin Qian, Asmita Jana, Siddarth Menon, Andrew Bogdan, Rebecca Hamlyn, Johannes Mahl, Ethan J. Crumlin
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2024-4563v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A large language models-guided grand canonical DFT framework for accelerating the discovery of efficient electrocatalysts

, Authors: Tongwei Wu, Yao Sun, Xiaoxi Guo, Lin Tian, Yanning Zhang, Haitao Zhao, Yuen Wu
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-r7x16
 
Subject: Chemistry
,
Working Paper
, Title:

Electron Spin-Lattice Relaxation in Triplet-State Oligoacenes: A First-Principles-Based Approach

, Authors: Katsuki Miyokawa, Yuki Kurashige
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-5wt2q
 
Subject: Chemistry
,
Working Paper
, Title:

Trithiol ligand provides tumor-targeting 191Pt-complexes with high molar activity and promising in vivo properties

, Authors: Honoka Obata, Atsushi B. Tsuji, Yutian Feng, Yongxiang Zheng, Hitomi Sudo, Aya Sugyo, Werner Tornow, Sean W. Finch, Katsuyuki Minegishi, Hisashi Suzuki, Jun Ichinose, Mikako Ogawa, Ming-Rong Zhang, Michael R. Zalutsky
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-2r5hz
 
Subject: Chemistry
,
Working Paper
, Title:

Air Stable Organic Metal Reservoirs: Extended Conjugation Enabled Multi-Electron Redox-Based Cathode Crystals for Metal Ion Batteries

, Authors: Amar Kumar, Priyabrata Biswal, Pragyan Tripathi, Arpan Chakraborthy, Abhishek K. Singh, Vadapalli Chandrasekhar, Tharangattu N. Narayanan Narayanan
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-cz46b
 
Subject: Chemistry
,
Working Paper
, Title:

A broad-spectrum copper oxidase synthesizes fungal peptidomelanin

, Authors: Shravanthi Srivatsan, Samayeta Pramanik, Pushya Pradeep, Senjuti Sarkar, Sindhu Priya Chandrappa, Riley Gall, Upama Majumder, Bhavana Meenakshi T., Likhit Reddy, Vivek Suranse, Varshaa Arer, Judy Jays, Deepesh Nagarajan
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-qdfm6
 
Subject: Chemistry
,
Working Paper
, Title:

An Integrin-Targeting Peptide Enables Efficient Lysosomal Delivery of Antibody-Drug Conjugates

, Authors: Peter A. Szijj, Vijay Chudasama, Greg M. Thurber, Jennifer R. Cochran, Carolyn R. Bertozzi
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-bsc8l
 
Subject: Chemistry
,
Working Paper
, Title:

Colorimetric detection of estrogen using gold nanoparticles is susceptible to microbial matrix interference

, Authors: Celeste Felion, Zhugen Yang, William J. Peveler, Caroline Gauchotte-Lindsay
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-zr6vq
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Physics-informed Modeling Framework for Redox-Mediated Flow Batteries

, Authors: Nicholas Matteucci, Christopher Mallia, Bertrand Neyhouse, Fikile Brushett
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-m7s4x
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular topological adhesion boosts delamination resistance in carbon fiber reinforced polymers

, Authors: Enrico Dalcanale, Monica Milani, Silvia D'Auria, Francesco Bertocchi, Alice Boschetti, Andrea Lapini, Alberto Fina, Alessandro Pedrini, Roberta Pinalli, Chiara Pernechele
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-l4mc6
 
Subject: Chemistry
,
Working Paper
, Title:

Condensed phase properties and transferable neural network potentials

, Authors: Anna Katharina Picha, Marcus Wieder, Stefan Boresch
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-wvgg0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

nRTD: Determining Complex Residence Time Distributions from Experimental Data Using Convolutional Neural Networks

, Authors: Hannes Stagge, Max Gäßler, Tuana Oyuncu, Robert Güttel
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-bdhfc
 
Subject: Chemistry
,
Working Paper
, Title:

Ionization Efficiency Prediction of Electrospray Ionization Mass Spectrometry Analytes based on Molecular Fingerprints and Cumulative Neutral Losses

, Authors: Alexandros Nikolopoulos, Denice van Herwerden, Viktoriia Turkina, Anneli Kruve, Melissa Baerenfaenger, Saer Samanipour
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-dc9gd
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic Late-Stage Decarboxylative Functionalization of Bioactive, Naturally Occurring, and Fatty Acids via gem-Borylsilyl Alkene

, Authors: Nadim Eghbarieh, Ahmad Masarwa
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-j3qfb
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral Substrate Binding Induced Dynamic Restructuring of Binuclear Copper Centers for Enzyme-Like Catalysis

, Authors: Xin-Xing Zhang, Wei Zhuang, Zhe-Ning Chen, Kaijun Yuan, Xueyu Feng, Chunyang Wang, Qingqing Gu, Yutong Zhang, Shengxi Zhang, Bing Yang
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-1f275
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Metal-free Hydrocarbamoylation of Allylamines

, Authors: Mariusz Zalewski, Sebastian Stecko
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-dd94q
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Derailment via Pressurization in Methylammonium Lead Iodide

, Authors: Pelayo Marin-Villa, Pablo Gila-Herranz, Monica Jimenez-Ruiz, Alexandre Ivanov, Jeff Armstrong, Kacper Druzbicki, Felix Fernandez-Alonso
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-jd7bj
 
Subject: Chemistry
,
Working Paper
, Title:

Light-promoted C(sp3)–C(sp3) Reductive Elimination from Dialkyl Ni(II) Complexes

, Authors: Alexander Cusumano, Braden Chaffin, David Cagan, Stephen DiLuzio, Erica Sutcliffe, Ryan Hadt, Abigail Doyle
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-xfpf4
 
Subject: Chemistry
,
Working Paper
, Title:

Three-Phase Emulsions During Cross-Coupling Reactions in Water

, Authors: Yiqing Zhang, Suzanne Blum
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-b37j8
 
Subject: Chemistry
,
Working Paper
, Title:

Application of magnetoresistive sensors to zero- and ultralow-field nuclear magnetic resonance

, Authors: Román Picazo-Frutos, Raphael Kircher, James Eills, Gary P. Centers, Yinan Hu, Jianan Qin, Sylwia J. Barker, Marcel Utz, Kirill F. Sheberstov, Tamon Kasajima, Shuichi Okawa, Masafumi Kami, Dmitry Budker
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-ddq2c
 
Subject: Chemistry
,
Working Paper
, Title:

Modeling Molecularly Imprinted Nanoparticles with LNKD: A Resource Efficient Algorithm for Polymer Crosslinking

, Authors: Emma Stevens, Felipe Curtolo, Bradford Derby, Dashaunette Wallace, Yan Zhao, Sijia S Dong
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-sfrfh
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Chatbot-Driven Voting Aid Applications Increase Knowledge about Party Positions but Do Not Change Party Evaluations

, Authors: Yamil Velez, Don Green, Semra Sevi
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.33774/apsa-2025-s7p22
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Populism and Rhetoric in Moroccan Political Discourse

, Authors: Mohammed Fdis
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.33774/apsa-2025-z42dm
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Immobility Phases

, Authors: Ezenwa Olumba
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.33774/apsa-2025-nd753
 
Subject: Management
,
Working Paper
, Title:

Looking into How Artificial Intelligence Supports Operational Improvements in Southeast Asia’s Expanding Enterprises: Evidence from Case Studies

, Authors: Kee Peng Chua
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.33774/coe-2025-g1n8l
 
Subject: Chemistry
,
Working Paper
, Title:

Recycling Li-ion Battery Cathode Materials in Iron Rich/Low Sulfate Cultures of Acidithiobacillus ferrooxidans

, Authors: Brooke Elander, Mengyun Jiang, Mikayla Fahrenbruch, Wei Li, Babak Momeni, Dunwei Wang
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-2gm8g
 
Subject: Chemistry
,
Working Paper
, Title:

Nature counts to three: Universal Mg-pinch motif polarizes the cleaved bond in NTP-processing enzymes

, Authors: Dénes Berta, Balint Dudas, Pablo G. Jambrina, Pedro J. Buigues, Reynier Suardiaz, Silvia Gómez-Coca, Wenhao Deng, Bernard R. Brooks, Beáta G. Vértessy, Edina Rosta
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-x7hsv
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Red-Light-Driven Hydrogen Evolution by a Diplatinum Photocatalyst by the Larger Wavefunction Leakage of Iodide Coordinated to the Platinum Center

, Authors: Toma Kunikubo, Raúl Castañeda, Muralee Murugesu, Jaclyn Brusso, Kosei Yamauchi, Hironobu Ozawa, Ken Sakai
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-23jg8
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational and Rheological Behavior of Kappa Carrageenan in Glycerol: Effects of Sodium Salts and Preparation Temperature

, Authors: Mihail T. Georgiev, Silviya S. Simeonova, Boris G. Konstantinov, Krassimir D. Danov, Robert Riley, Dawn Woodall
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-qm49b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computer Vision Helps Experimentally Monitor Mixing Effects in Deep Eutectic Solvents

, Authors: Calum Fyfe, Rhoda Duncan, Kristin Donnachie, Timothy J.D. McCabe, Henry Barrington, Marc Reid
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-r8800
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanical Origin of Lithium Dendrite Penetration in Garnet Solid Electrolyte

, Authors: Yuwei Zhang, Soroush Motahari, Eric Woods, Stefan Zaefferer, Peter Schweizer, Zhiyuan Zhang, Yuqi Liu, Baptiste Gault, Franz Roters, Dierk Raabe, Christina Scheu, Yug Joshi, Siyuan Zhang, Chuanlai Liu, Gerhard Dehm
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-frphl
 
Subject: Chemistry
,
Working Paper
, Title:

Greenhouse Gas Accounting Procedures in Low Carbon Fuel Policies Overlook the Spatial Variability of Miscanthus-derived Sustainable Aviation Fuel

, Authors: Dalton Stewart, Wenjun Guo, Yalin Li, Xinxin Fan, Jonathan Coppess, Madhu Khanna, Jeremy Guest
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2024-lnmv4-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Selective N-terminal modification of peptides and proteins using acyl phosphates

, Authors: Laura Rodríguez Pérez, Thomas A. King, William Finnigan, Antonio Angelastro, Jack W. Houghton, Edward W. Tate, William R. F. Goundry, Sabine L. Flitsch
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2023-jm6sb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamics of molecular binding and clustering in the atmosphere revealed through conventional and ML-enhanced umbrella sampling

, Authors: Jakub Kubečka, Yosef Knattrup, Georg Baadsgaard Trolle, Bernhard Reischl, August Smart Lykke-Møller, Jonas Elm, Ivo Neefjes
Version undefined posted 13 June 2025
Posted
Jun 13, 2025
10.26434/chemrxiv-2025-b5xxr
 
Subject: Chemistry
,
Working Paper
, Title:

Gold Nanostars Based Minimalist Sensor Arrays for Protein Isoform and Disease State Discrimination

, Authors: Preeti Bhatt, Alisha Kamra, Aitichya Chandra, Joel P. Joseph, Avik Chattopadhyay, Kalpana Rajendran, Debasis Das, Dipankar Nandi, Subinoy Rana
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-s0j7z
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced proton transport in Fluorine-free membranes by balancing confinement and pore chemistry

, Authors: Muhammad Saad Naeem, Zan Lian, Jordi Guardià, Ranga Rohit Seemakurthi, Pol Sanz-Berman, Marta Giamberini, Ricard Garcia-Valls, Núria López
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-v2qck
 
Subject: Chemistry
,
Working Paper
, Title:

Development of ArgTag for scalable solid-phase synthesis of aggregating peptides

, Authors: Vincent Freiburghaus, Łukasz Frankiewicz, Jie Yang, Nina Hartrampf
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-17x7m
 
Subject: Chemistry
,
Working Paper
, Title:

Improving Triplet-Triple Annihilation Upconversion Output by a Triplet Mediator Approach: Mechanistic Insights on Homo and Hetero-Annihilation in Three Component Systems

, Authors: Sunil Kumar Kandappa, Victor Gray
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-6sf3f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Si–Al Pitzer dataset: Consistent set of Pitzer activity model interaction parameters of Al and Si species, for modelling cements in saline systems with THEREDA

, Authors: George Dan Miron
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2024-m02f1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

High-Entropy Phosphate Synthesis: Advancements through Automation and Sequential Learning Optimization

, Authors: Stephanos Karafiludis, Jakob Standl, Tom William Ryll, Alexander Schwab, Carsten Prinz, Jakob B. Wolf, Sabine Kruschwitz, Franziska Emmerling, Christoph Völker, Tomasz M. Stawski
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-zhkfp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A biocatalytic platform for nucleoside monophosphate synthesis in continuous flow

, Authors: Apisit Naramittanakul, Suat Sari, Caecilie Benckendorff, Joey Cheang, Yogesh Sanghvi, Gavin Miller, Sebastian Cosgrove
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-snvjk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Design of Alkaline Earth-Doped Co/MgO Catalysts for High-Performance Ammonia Decomposition

, Authors: Sachika Hayashi, Takahiro Naito, Kanishka H. De Silva, Katsutoshi Sato, Takaaki Toriyama, Tomokazu Yamamoto, Yasukazu Murakami, Katsutoshi Nagaoka
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-492xf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

De novo macrocyclic glycopeptides by mRNA display to target macrophage galactose type lectin on dendritic cells

, Authors: Ryoji Yoshisada, Nadia van der Meijs, Romão Soares, Sandra van Vliet, Seino Jongkees
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-1lcjn-v2
 
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 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-grk3r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking Catalytic Asymmetric Transformations of Sulfilimidoyl Fluorides: Approach to Chiral Sulfinimidate Esters

, Authors: He-Ping Li, Ze Zhao, Xin Zhang, Xiang-Hong He, Cheng Peng, Gu Zhan, Bo Han
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-0x4xf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hydration Free Energies for Small Molecules with Physics-based Descriptors: Graph Neural Network with Cross Attention

, Authors: Anuj Kumar Sirohi, Ajeet Kumar Yadav, Pradipta Bandyopadhyay
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-bzf4z
 
Subject: Chemistry
,
Working Paper
, Title:

Geometrical isotope effects on chemical bonding in hydrogen bonded systems: Combining nuclear-electronic orbital DFT and energy decomposition analysis

, Authors: Raza Ullah Khan, Ralf Tonner-Zech
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-5j5wz
 
Subject: Chemistry
,
Working Paper
, Title:

Cyanostilbenes as selective chloride carriers relying on CH-anion interactions

, Authors: Anurag Singh, Lau Halgreen, Aaron Torres-Huerta, Nikolay Tumanov, Johan Wouters, Hennie Valkenier
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-snvq5
 
Subject: Chemistry
,
Working Paper
, Title:

Seed Oligomers Regulate Sequence Development through a Templating Effect in Simulated Irreversible Step-growth Copolymerization

, Authors: Wenxin Xu, Nhu Q. Nguyen, Kateri H. DuBay
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-3rx69
 
Subject: Chemistry
,
Working Paper
, Title:

Zwitterionic chiral organoboron complexes for overcoming the concentration barrier in protein synthesis

, Authors: Philipp E. Schilling, Samuel Steiner, Jeffrey Bode
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-18xq6
 
Subject: Chemistry
,
Working Paper
, Title:

UV Resonance Raman Spectroscopic Marker Bands of Base Pair Formation During Nucleic Acids Assembly

, Authors: Aina-Sophie Schüen, Annika Sophie Bumberger, Benedikt Bädorf, Dilaza Kendirlik, Stephanie Kath-Schorr, Stefan Grimme, Patrycja Kielb
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-2tpt0
 
Subject: Chemistry
,
Working Paper
, Title:

Probing surface degradation pathways of charged nickel-oxide cathode materials using machine-learning methods

, Authors: Svenja Both, Andrey D. Poletayev, Timo Danner, Arnulf Latz, M. Saiful Islam
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-x7rn0
 
Subject: Chemistry
,
Working Paper
, Title:

Pyrrolidinium-based protic ionic liquid electrolytes for high performance RuO2 micro-supercapacitors

, Authors: Jensheer Shamsudeen Seenath, Hicham Jabraoui, Timo Stettner, Andrea Balducci, Alain Esteve, David Pech, Dominic Rochefort
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-bjfw2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of novel amphiphilic fluorinated polymers for the dispersion of hydrophobic gold nanoparticles, quantum dots or highly fluorinated molecules in water.

, Authors: Galder Llorente, Juan Manuel Arango, Noelia Soto, Olena Kyzyma, Andres Alejandro Yanez Crespo, Clement Blanchet, Aitzol García-Etxarri, Marité Cárdenas, Monica Carril
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-p76l0
 
Subject: Chemistry
,
Working Paper
, Title:

Unsupervised Density-Based Method for Analyzing Ion Mobility in Crystalline Solid-State Electrolytes

, Authors: Henry A. Cortés, Mauricio Rincon Bonilla, Elena Akhmatskaya
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-5466l
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the role of H-bonds in the stability of molecular glue-induced ternary complexes

, Authors: Patricia Blanco-Gabella, Varbina Ivanova, Álvaro Serrano-Morrás, Julian E. Fuchs, Jordi Juárez-Jiménez
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-wk459
 
Subject: Chemistry
,
Working Paper
, Title:

The effect of ionic strength on PETase enzymes: an experimental and computational study

, Authors: ALESSANDRO BERSELLI, Alan Carletti, Maria Cristina Menziani, Giulia Di Rocco, Francesco Muniz-Miranda
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-p6j49
 
Subject: Chemistry
,
Working Paper
, Title:

An LC-MS untargeted metabolomic comparison between three blood microsampling devices, whole blood, and plasma.

, Authors: Dennisse Avella, Soile Turunen, Glykeria Avgerinou, Anatoli Petridou, Vassilis Mougios, Iman Zarei, Seppo Auriola, Kati Hanhineva, Olli Kärkkäinen
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-7tbxq
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial thermal transport of gold surfaces coated with heterogeneous monolayers in a binary solvent

, Authors: Angad Deshmukh, Chao Zeng, James D.E.T. Wilton-Ely, Fernando Bresme
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-0971b
 
Subject: Chemistry
,
Working Paper
, Title:

Reversibly Redox Active Iron Oxide Structures in FeNC Catalysts Identified by Microscopy and Spectroelectrochemical EPR and Mössbauer Spectroscopies

, Authors: Abdiaziz Kaltum, Lingmei Ni, Derya Demirbas, Hendrik Haak, Edward Reijerse, Pascal Theis, Wulyu Jiang, Sonia Chabbra, Thomas Lunkenbein, Ulrike Kramm, Alexander Schnegg
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-dtzf0
 
Subject: Chemistry
,
Working Paper
, Title:

Modular and Interoperable Workflows for Benchmarking Alchemical Binding Free Energy Calculation Methodologies

, Authors: Anna Herz, Maicol Bissaro, Carmen Esposito, Julien Michel
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-m0sgg
 
Subject: Chemistry
,
Working Paper
, Title:

Spatially Resolved Differentiation of Functional Degradation and Perforating Structural Defects in Membrane Electrode Assemblies Using Diffusion-Cell Coupled DC-SECM

, Authors: Susanne Thiel, Maik Eichelbaum
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-442x9
 
Subject: Chemistry
,
Working Paper
, Title:

Resolving molecular interactions in protein folding trajectories with NCIPLOT

, Authors: Asier Urriolabeitia, Julia Contreras-García, David De Sancho, Xabier López
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-dbng4
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the role of cytochrome bd oxidases in the antibacterial activity of madecassic acid and derivatives thereof

, Authors: Samantha Henry, Geraud Sansom, Thao Thi Phuong Tran, Michelle Garrett, Gary Robinson, Christopher Serpell, Mark Shepherd
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-6wj5j
 
Subject: Chemistry
,
Working Paper
, Title:

Multiscale Simulation of the Depolymerization of Dehydrochlorinated Polyvinyl Chloride

, Authors: Sophia Ezendu, Tibor Szilvasi
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-7mvnl
 
Subject: Chemistry
,
Working Paper
, Title:

Interaction-constrained 3D molecular generation using a diffusion model enables structure-based pharmacophore modeling for drug design

, Authors: Masami Sako, NOBUAKI YASUO, Masakazu Sekijima
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-7z95m
 
Subject: Chemistry
,
Working Paper
, Title:

Two-dimensional bond-selective fluorescence spectroscopy: Violations of the resonance condition, vibrational cooling rate dispersion, and super-multiplex imaging

, Authors: Philip Kocheril, Jiajun Du, Haomin Wang, Ryan Leighton, Dongkwan Lee, Ziguang Yang, Noor Naji, Adrian Colazo, Lu Wei
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-tsc4k
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking Performance of Equilibrium Fluid Catalytic Cracking Catalysts in the Catalytic Cracking of Polypropylene

, Authors: Sebastian Rejman, Ludo Boot, James Strohm, Jeroen van der Linden, Ina Vollmer, Bert M. Weckhuysen
Version undefined posted 16 June 2025
Posted
Jun 16, 2025
10.26434/chemrxiv-2025-mhh03
 
Subject: Chemistry
,
Working Paper
, Title:

Using Precise Gas Exposures to Resolve Surface Site Filling in Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS)

, Authors: Audrey Dannar, Hadley Nunn, Christopher R O'Connnor, Christian Reece
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-7x1r6
 
Subject: Chemistry
,
Working Paper
, Title:

Screening of 3d metals as A-elements in MAX phase Nb2SnC and their effects on the magnetic properties of the solid solutions Nb2(Sn1-xAx)C

, Authors: Suneet Kale, Ivan Tarasov, Lauren Driggers, Lin-Lin Elliott, Prajna Bhatt, Christoph Schlueter, Pawel Michalowski, Johanna Rosen, Martin Dahlqvist, Anna Regoutz, Ulf Wiedwald, Christina Birkel
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-tsqbv
 
Subject: Chemistry
,
Working Paper
, Title:

Saturating the Matrix: Nanocomposite Solution-Processed Sodium Aluminophosphate Solid Electrolytes

, Authors: Thomas Gill, Guillaume Matthews, Yaoguang Song, Mo El Maoued, Adam Lovett, Sadia Sheraz, Nicholas P. Lockyer, Amita Ummadisingu, Thomas S. Miller, Alexander J. E. Rettie
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-8hdn9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Considering the Ethics of Large Machine Learning Models in the Chemical Sciences

, Authors: Evan Walter Clark Spotte-Smith
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-ct5k8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Polycationic Cotton Filters for Bacterial Capture and Inactivation in Water and Air

, Authors: Jules Valentin, Lucie Varidel, Rafael Freire, Ambroise Roduit, Stefan Salentinig
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-zqmm0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing BN-Benzvalene Yield through Excited-State Control and Substituent Effects

, Authors: Cristian J. Guerra, Yeray A. Rodríguez-Núñez, Efraín Polo-Cuadrado, Leandro Ayarde-Henríquez, Diana B. Ramírez, Adolfo E. Ensuncho
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-k90bg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Single-molecule Vibrational Thermometry

, Authors: Philip Kocheril, Dongkwan Lee, Noor Naji, Rahuljeet Chadha, Ryan Leighton, Haomin Wang, Lu Wei
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-83zc3
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Screening and Prioritization of Culture Conditions for Natural Product Discovery using the Liquid Microjunction Surface Sampling Probe

, Authors: Jessie Deng, Jennifer Kolwich, Georgia Reed, Rachel Theriault, Haidy Metwally, Lainey Ennett, Chang Liu, Randy Ellis, Avena Ross, Richard Oleschuk
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-j4c4t
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of processing costs can make lithium extraction from clay competitive to conventional sources of brines and hard rock ores

, Authors: Jannis Wesselkaemper, Thomas Hendrickson, Sarah Smith, Prakash Rao, Andrew Haddad
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-ht4m3
 
Subject: Chemistry
,
Working Paper
, Title:

Atomic Force Microscopy Visualization of Branches in Dendritic Hyperbranched Polymers Synthesized by One-Step Radical Polymerization

, Authors: Shigeru Yamago, Tianxiang Tong, Masatoshi Tosaka, Yuma Morimitsu, Keiji Tanaka
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-khdsk
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Partial Oxidation of Methane to Methanol at Plasma-Catalyst-Liquid Interfaces

, Authors: James Ho, Matthew Hershey, Wesley Beck, Dayne Swearer
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-46lcj
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of a Highly Cooperative PROTAC Degrader Targeting GTP-loaded KRAS(on) Alleles

, Authors: Vesna Vetma, Ilaria Puoti, Natalia Karolak, Sohini Chakraborti, Emelyne Diers, Enrico Girardi, Shakil Khan, Giorgia Kidd, Ross McLennan, Suzanne O'Connor, Nicole Trainor, Claire Whitworth, Andre Wijaya, Jeff Wong, David Zollman, William Farnaby, Johannes Popow, Alessio Ciulli, Peter Ettmayer, Kirsten McAulay
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-706mw
 
Subject: Chemistry
,
Working Paper
, Title:

Cooperative Ice Binding of Engineered Antifreeze Protein Produces Superior Activity

, Authors: Yitzhar Shalom, Fredy Zypman, Ran Drori
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-8h41f
 
Subject: Chemistry
,
Review
, Title:

Strategic Framework for Sustainable Nanoparticle Synthesis: From Physical and Green Routes to Machine Learning Optimization

, Authors: Nadab Raza, Sheeza Pervaiz, urooj haroon
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-2jbg2
 
Subject: Chemistry
,
Working Paper
, Title:

Carboranes with Exopolyhedral Boron-Tetrel Bonds

, Authors: Andrew Baublis, Milan Gembicky, Tyler Kerr, Alexander Spokoyny
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-bkvnm
 
Subject: Chemistry
,
Working Paper
, Title:

Dual cooperativity in twisted host and multiple chiral guest systems: Theoretical evidence of 'superamplification of asymmetry'

, Authors: Nozomu Suzuki, Kazuya Miyata, Yudai Ono, Yutaro Yamasaki, Takeharu Haino
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-1cl2b
 
Subject: Chemistry
,
Working Paper
, Title:

Assembly of polyplexes for RNA delivery

, Authors: Jonas Hans Lehnen, Jorge Moreno Herrero, Heinrich Haas, Friederike Schmid, Giovanni Settanni
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-k40pn
 
Subject: Chemistry
,
Working Paper
, Title:

Porphyrin-acene Dyads for Controlled Singlet Oxygen Generation and Depletion

, Authors: Natalia Dutkiewicz, Maciej Majdecki, Barbara Golec, Ireneusz Wielgus, Przemyslaw Gawel, Aleksander Gorski
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-zczql
 
Subject: Chemistry
,
Working Paper
, Title:

Size-Extensivity of First-order Exchange Energy in Symmetry-Adapted Perturbation Theory: a Graph-based Approach

, Authors: Dominik Cieśliński
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-xk0mj
 
Subject: Chemistry
,
Working Paper
, Title:

3D printed carbon and copper electrochemical sensors for the determination of reducing sugars to diagnose intestinal malabsorption

, Authors: Chloe Miller, Athira Prasanth, Bhavik Anil Patel
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-2ngn5
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular dynamics as a tool for unveiling protein-like folding behavior in urethane-based macromolecules: The effect of chain length on the secondary structure of oligourethanes

, Authors: Kasper Witruk, Sara Njoku, Eduardo Castellanos, Róża Szweda, Tadeusz Andruniów
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-t67hp
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Assembly of Bent-Core Nematics in Nanopores

, Authors: Andriy Z. Maksym, Anatoliy S. Andrushchak, Yaroslav Shchur, Bouchta Sahraoui, Przemyslaw Kula, Monika Lelonek, Mark Busch, Patrick Huber, Andriy V. Kityk
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-vrqd8
 
Subject: Chemistry
,
Working Paper
, Title:

Highly active iron catalysts for olefin hydrogenation enable parahydrogen induced hyperpolarisation of 1H and 19F NMR resonances at 1.4 Tesla

, Authors: Dragos-Adrian Rosca, Torsten Gutmann, Markus Enders, Gerd Buntkowsky, Christina Thiele, Bingyu Zhang, Jan Kergassner, Julianna Doll
Version undefined posted 17 June 2025
Posted
Jun 17, 2025
10.26434/chemrxiv-2025-w2h6z
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Non-Toxic Green Refrigerants using Positive-Unlabeled Learning and High-Fidelity Search

, Authors: Sanghoon Lee, Hyeok Jae Lee, Gyoung S. Na, Hyun Woo Kim
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-zl7td
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral hierarchies at the nanoscale revealed by three-dimensional scanning electron diffraction

, Authors: Mathias Nero, Mads Carlsen, Marianne Liebi, Tom Willhammar
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-8csxn
 
Subject: Chemistry
,
Working Paper
, Title:

Group I tert-Amylates: A Comparative Study in Hydrophosphination Reactions

, Authors: Diego Javier-Jimenez, Matthew Reuter, Emma Finfer, Gavin Sicard, Rory Waterman
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-vlh19-v3
 
Subject: Chemistry
,
Working Paper
, Title:

General reactive machine learning potentials for CHON elements

, Authors: Bowen Li, Sixuan Mi, Jin Xiao, Duo Zhang, Shuwen Zhang, John Zhang, Han Wang, Tong Zhu
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-1d293-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Metastable Molecular Cocktail of Crystalline and Liquid Difluoroboron β-Diketonate Complexes

, Authors: Mitsuhiko Morisue, Takeru Asano, Hiroyasu Masunaga, Sono Sasaki, Masashi Nakamura, Yukiyasu Kashiwagi
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-f4q99-v2
 
Subject: Chemistry
,
Working Paper
, Title:

GoFlow: Efficient Transition State Geometry Prediction with Flow Matching and E(3)-Equivariant Neural Networks

, Authors: Leonard Galustian, Konstantin Mark, Johannes Karwounopoulos, Maximilian P.-P. Kovar, Esther Heid
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-bk2rh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Inverse Design of Complex Nanoparticle Heterostructures via Deep Learning on Heterogeneous Graphs

, Authors: Eric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, Benjamin Sanchez-Lengeling, Xiaojing Xia, Daniel Barter, Emory Chan, Samuel Blau
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2024-1dw4q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A DATABASE FOR ORGANIC AND ORGANOMETALLIC COMPOUNDS

, Authors: Stefan Kuhn, Markus Fischer, Herman Rull, Christophe Farès
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-mxcdn-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

A New Explanation for the Result of Michelson-Morley Experiment

, Authors: Abolfazl Soltani
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-bsfh2-v8
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Dynamically-Stable Low-Entropy Solutions: from Thermo- to Infodynamics of Differentiated Adaptation

, Authors: Serge Dolgikh
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-xz2mm
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

On the Discovery of New Laws of Conservation and Uncertainty, Probability and CPT-Theorem Symmetry-Breaking in the Standard Model of Particle Physics: More Revolutionary Insights from the Theory of Entropicity (ToE)

, Authors: John Onimisi Obidi
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-n4n45
 
Subject: Mathematics
,
Working Paper
, Title:

Non trivial zeros of the Riemann zeta function

, Authors: Walid OUKIL
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2023-sb63n-v20
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Physics and Chemistry of Dirac Magnetic Monopoles

, Authors: Rainer Kühne
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-6tphb
 
Subject: Mathematics
,
Working Paper
, Title:

On the largest prime factor of integers in short intervals II

, Authors: Runbo Li
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-xnbjq
 
Subject: Mathematics
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Working Paper
, Title:

On the Completion of Agawa's Proof of the Yang-Mills Mass Gap: The Essential Addendum on the Continuum Limit and Finite Gribov Uniqueness

, Authors: Yuta Agawa
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-3jmcf
 
Subject: Materials Science
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Working Paper
, Title:

Integrated Electrocatalytic CO2 Reduction and Formate Oxidation: A Closed-Loop Approach for Sustainable Electricity Generation

, Authors: Venkata Rajnish Teketi
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-wbrjg
 
Subject: Chemistry
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Working Paper
, Title:

XGBoost and Physical-Informed Neural Networks as Surrogate Models for VLE and LLE in PC-SAFT

, Authors: Yiwen Pang, Zhongwei Ding, Qusheng Li
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-zm631
 
Subject: Chemistry
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Working Paper
, Title:

Semi-Automated Computational Investigation of the Oxidative Degradation Mechanisms of Bisphenol A in Fenton-Type Processes

, Authors: Pablo Armando Chacón-Morales, Antonio Fernández-Ramos, Jorge González Rodríguez, María Teresa Moreira Vilar, Emilio Martínez-Núñez, David Ferro-Costas
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-ft3sx
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding DFT uncertainties for more reliable reactivity predictions by advancing the analysis of error sources

, Authors: Gergely Laczkó, Imre Pápai, Peter Nagy
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-jdfq2
 
Subject: Chemistry
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Working Paper
, Title:

An Equation-of-Motion Coupled Cluster Singles and Doubles Approach to Auger-Meitner Spectra Based on the One-Center Approximation

, Authors: Wojciech Skomorowski, Bruno Nunes Cabral Tenorio, Sonia Coriani
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-f798t
 
Subject: Chemistry
,
Working Paper
, Title:

Autopylot: Pragmatic Excited State Electronic Structure Benchmarking

, Authors: Gregory Curtin, Madeline Thomas, Elisa Pieri
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-stlqg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring a new electrochemical treatment to significantly improve the electrochemical performance of 3D-printed polylactic acid/carbon fibre electrodes

, Authors: Muhamad Huzaifah Omar, Turgut Sönmez, Hairul Hisham Hamzah, Bhavik Anil Patel, Mohd Nadhir Ab Wahab, Nor Dyana Zakaria, Khairunisak Abdul Razak, Nor Azah Yusof
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-52528-v2
 
Subject: Economics
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Working Paper
, Title:

The Pharmaceutical Industry in Nigeria: Drug Accessibility, Affordability and Competitiveness in the Economy.

, Authors: Adeyemi Olayisade
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-zn667
 
Subject: Economics
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Working Paper
, Title:

The Anatomy of India’s Industrial Interdependencies: 7-Digit Product-Level Supply-Use and Input-Output Tables from ASI Data (2016-2022) with a Case Study of the Mobile Phone Sector

, Authors: Sourish Dutta
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.33774/coe-2025-q2mml
 
Subject: Chemistry
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Working Paper
, Title:

Manipulation of Intramolecular and Intermolecular Noncovalent Conformational Locked Network via Side-Chain Isomerization for Constructing Planar NIR-II Phototheranostic Aggregates

, Authors: Cheng Lu, Qian Jia, Bo Wu, Ryan T. K. Kwok, Jianwei Sun, Zheng Zhao, Zhongliang Wang, Jacky W. Y. Lam, Ben Zhong Tang
Version undefined posted 18 June 2025
Posted
Jun 18, 2025
10.26434/chemrxiv-2025-sdpxd
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Reassignment of Compound 968, an Allosteric Glutaminase Inhibitor

, Authors: Lindsey Albertelli, Sainabou Jallow, Chun Li, Scott Ulrich
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-jjxb4
 
Subject: Chemistry
,
Working Paper
, Title:

Extreme Ultraviolet and Beyond Extreme Ultraviolet Lithography using Amorphous Zeolitic Imidazolate Resists Deposited by Atomic/Molecular Layer Deposition

, Authors: Kayley E Waltz, Xinpei Zhou, Xavier Krull, Somya Singh, Eric Mattson, Yurun Miao, Matt Hettermann, Travis Grodt, Qi Zhang, Honggu Im, Bernhard Lüttgenau, Lauren Doyle, Andrea Kraetz, Max Beutner, Scott B. Clendenning, D. Howard Fairbrother, Joseph T. Hupp, Patrick Naulleau, Lawrence Rooney, Oleg Kostko, Michael Tsapatsis
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-s1n4s
 
Subject: Chemistry
,
Working Paper
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A fast GC-MS/MS method for the simultaneous measurement of key metabolites of peroxisomal beta-oxidation and ether lipid biosynthesis

, Authors: Karin Preindl, Thomas Stimpfl, Gunda Koellensperger, Fabian Dorninger, Johannes Berger, Christoph Wiesinger
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-llvx1
 
Subject: Chemistry
,
Working Paper
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IR–NMR Multimodal Computational Spectra Dataset for 177K Patent-Extracted Organic Molecules

, Authors: Federico Zipoli, Marvin Alberts, Teodoro Laino
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-l0zqz
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Impacts of the Addition of Succinic Acid to Cationic Ammonium Bisulfate Clusters

, Authors: Annapoorani Hariharan, Nanna Myllys, Christopher Johnson
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-cmw8n
 
Subject: Chemistry
,
Working Paper
, Title:

Hyper-Raman Spectra in Solution based on the Reference Interaction Site Model Self-Consistent Field Method Coupled with Constrained Spatial Electron Density Distribution and Vibrational Quasi-Degenerate Perturbation Theory

, Authors: Kayo Suda, Kiyoshi Yagi, Daisuke Yokogawa
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-0k1jw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Overcoming the challenge of confident identification among two related groups of 17-methyl steroids by GC-MS

, Authors: Maria Kristina Parr, Jakob Steff, Francesco Botrè, Xavier de la Torre
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-dgbjb
 
Subject: Chemistry
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Working Paper
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Fast Discharging Stabilizes Electrochemical Interfaces: Achieving Close-to-Unity Reversibility in “Dendrite-Forming” Battery Electrodes

, Authors: Wen-Yang Jao, Aakriti Aggarwal, Tushar Telmasre, Lubhani Mishra, Venkat Subramanian, Chi-Chang Hu, Kent Zheng
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-m872d
 
Subject: Chemistry
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Working Paper
, Title:

Homogeneous Boroaluminate Xerogels: Synthesis, Characterization, and Catalysis

, Authors: Michal Mlynek, Aleš Stýskalík, Iaroslav Doroshenko, Petr Machač, Tomáš Pokorný, Lucie Šimoníková, Jiří Pinkas, Zdeněk Moravec
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-jdbrv-v2
 
Subject: Chemistry
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Working Paper
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Conformational Analysis of Helical Peptides Incorporating Azepane-Based beta-Amino Acids Prepared by an Ultrasound-Assisted Method

, Authors: Ingyu Han, Chae Na Lim, Soo Hyuk Choi
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-qcxbj
 
Subject: Chemistry
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Working Paper
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MgO-water interface: Structure and surface dissolution depend on flow and pH

, Authors: Moritz Zelenka, Ellen H. G. Backus
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-7dvkk
 
Subject: Chemistry
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Working Paper
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Feature-Driven Prediction of HOMO-LUMO Gaps in Transition Metal Complexes Using the SLEET Model: A SMILES-Based Transformer Framework

, Authors: Sheng-Hsuan Hung, Zong-Rong Ye, Chi-Feng Cheng, An-Cheng Yang, Berlin Chen, Ming-Kang Tsai
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-2bst5
 
Subject: Chemistry
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Working Paper
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To Bend or Not to Bend: Revealing the Stereoelectronic Origin of the Distorted sp Carbon in Isocyanates

, Authors: Lucas Araujo, Felipe Fantuzzi, Thiago M. Cardozo, Lars V. Schäfer
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-zt409-v2
 
Subject: Chemistry
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Working Paper
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Broadening the Scope of the ETS-NOCV scheme: A Versatile Implementation in ORCA

, Authors: Ronald Cárdenas Sabando, Christoph Riplinger, Frank Wennmohs, Frank Neese, Giovanni Bistoni
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-j4011
 
Subject: Chemistry
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Working Paper
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A two-week journey to Mars: Investigating changes in thiophene-bearing quinones of the extremely thermoacidophilic archaeon Acidianus manzaensis

, Authors: Sebastian V. Gfellner, Janina Groninga, Cyril Colas, Guillaume Gabant, Andreas Lorek, Stephen Garland, Mickael Baqué
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-xc7vd
 
Subject: Chemistry
,
Working Paper
, Title:

Phase behavior of light-responsive lyotropic liquid crystals for molecular solar thermal energy storage

, Authors: Beatrice E. Jones, Zhihang Wang, Martijn A. Zwijnenburg, Charlotte J. C. Edwards-Gayle, Kasper Moth-Poulsen, Nathan Cowieson, Rachel C. Evans
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-v5nhq
 
Subject: Chemistry
,
Review
, Title:

Emerging frontiers in antifungal treatments – exploring the current trends, challenges, and newer approaches

, Authors: Trupti Thite, Preeti Jain, Kavita Iyer, Rumiana Tenchov, Janet Sasso, Umesh Balande, Ankush Maind, Qiongqiong Angela Zhou
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-86lcw
 
Subject: Chemistry
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Working Paper
, Title:

Evaluation of Proto- and Metallofluorochromism Effects in Enamine Switches

, Authors: Zhen Yang, Olof Ramstrom
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-gxfgr
 
Subject: Chemistry
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Working Paper
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Molecular Insights into the Influence of Ions on Water Structure. II. Halide Ions in Solution

, Authors: Henry Agnew, Roya Savoj, Richa Rashmi, Benjamin Savala, Francesco Paesani
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-mgvjw-v2
 
Subject: Chemistry
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Working Paper
, Title:

Atom transfer radical addition on aromatic rings: Ruthenium-catalyzed synthesis of benzyl/allyl-halide substituted (dihydro)naphthalenes

, Authors: Nicole S. van Leeuwen, David Vesseur, Thijmen Bonhoff, Jeffrey van Laar, Coert van Lare, Simon Mathew, Sonja Pullen, Joost N.H. Reek, Aalbert Zwijnenburg, Bas de Bruin
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-3ftmn
 
Subject: Chemistry
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Working Paper
, Title:

Evaluation of Hydrophobic, Hydrophilic and Water Adsorption Properties of Microporous Metal-Organic Framework Materials by Unified Isotherm Analysis

, Authors: Steven William Rutherford
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2024-h1x6w-v6
 
Subject: Chemistry
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Working Paper
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On the Vibrational Architecture of [Fe4S4]0/1+/2+/3+/4+ Iron-Sulfur Cubanes

, Authors: Liam Grunwald, Vladimir Pelmenschikov, Hongxin Wang, Yoshitaka Yoda, Nobumoto Nagasawa, Kenji Tamasaku, Stephen P. Cramer, Victor Mougel
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-djq4q-v2
 
Subject: Chemistry
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Working Paper
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Galaxy QCxMS for Straightforward Semi-Empirical Quantum Mechanical EI-MS Prediction

, Authors: Wudmir Rojas, Zargham Ahmad, Julia Jakiela, Helge Hecht, Jana Klánová, Elliott Price
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-fd68z
 
Subject: Chemistry
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Working Paper
, Title:

Cooperative Halogen Bonding and π–π Stacking Interactions as Drivers of Polymorphism

, Authors: Sławomir Szafert, Marcin Małecki, Marcin Moskwa, Przemysław Dopieralski
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-pmz4z
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical formation mechanism of alloyed AgBi-elpasolites

, Authors: Huygen Jöbsis, Loreta A. Muscarella, Michał Andrzejewski, Nicola P.M. Casati, Eline M. Hutter
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-n1jtc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Neutron imaging to study the influence of flow fields and porous electrodes on concentration distributions in redox flow cells

, Authors: Maxime van der Heijden, Remy Jacquemond, Emre Boz, Pierre Boillat, Antoni Forner-Cuenca
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-k85s2
 
Subject: Chemistry
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Working Paper
, Title:

Triplex DNA Clamp Regulates Cas12a Activation for ssDNA and RNA Sensing

, Authors: Andrea Celeste Di Pede, Neda Bagheri, Erica Belforte, Alessio Palone, Marianna Rossetti, Alessandro PORCHETTA
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-1p0wp
 
Subject: Chemistry
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Working Paper
, Title:

Theoretical study of the NaO + HCl reaction: a potential formation route of NaCl in the interstellar medium

, Authors: Andrea Giustini, Gabriella Di Genova, Nadia Balucani, Cecilia Ceccarelli, Albert Rimola, Piero Ugliengo, Marzio Rosi
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-d6t9b
 
Subject: Chemistry
,
Working Paper
, Title:

Reduced Cobalt Corroles: Isolation, Reactivity, and Electronic Structure

, Authors: Christopher Reyes, Jeanet Conradie, Abhik Ghosh, Hadi Arman, Zachary Tonzetich
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-zqk89
 
Subject: Chemistry
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Working Paper
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Evaluation of Olink Reveal Proximity Extension Assay for High-Throughput Proteomics: A Case Study Using NIST SRM 1950 and Spike-In Protein Standards

, Authors: Yuri van der Burgt, Emile de Meijer, Magnus Palmblad
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-0pvmg
 
Subject: Chemistry
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Working Paper
, Title:

Constant distance mode mass spectrometry imaging with a confocal sensor

, Authors: Tommy Zhang, Ryan Hilger, LiXue Jiang, Julia Laskin
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-g3g27
 
Subject: Chemistry
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Working Paper
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Enabling Next Generation Enzyme Mimics Through Local Electric Field Control in Organic Cage Catalysts

, Authors: Marco Vitek, Igor Rončević, Keith Andrews
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-jzqqb
 
Subject: Chemistry
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Working Paper
, Title:

Illuminating the Role of Alcohol Additives in Nickel Photoredox Catalysis via Ground State and Transient Absorption Spectroscopy

, Authors: Annika Holm, Rachel Wallick, Josh Vura-Weis, Liviu Mirica
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-grpw7
 
Subject: Chemistry
,
Working Paper
, Title:

Continued Challenges in High-Throughput Materials Predictions: MatterGen predicts compounds from the training dataset.

, Authors: Mikkel Juelsholt
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-mkls8
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Control of Band Gap and Polaron Delocalization in 2D Azatriangulene Covalent Organic Frameworks

, Authors: Chang Wan Kang, Ehsan Hamzehpoor, Pegah Ghamari, Yuze Tao, Mohammad Hossein Gohari, Cheng-Hao Liu, Zhenzhe Zhang, Rustam Z. Khaliullin, Dmytro F. Perepichka
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-mr7kv
 
Subject: Chemistry
,
Working Paper
, Title:

Shining Light on the Mechanism of Photochemical Alkene Formation in Vitamin B12

, Authors: Alivia Mukherjee, Summer Wu, David Cooper, Rachel Hendrickson, Roseanne Sension, Nicolai Lehnert, James Penner-Hahn
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-hrln5
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of YTHDF2 ligands by fragment-based design

, Authors: Annalisa Invernizzi, Francesco Nai, Rajiv Kumar Bedi, Pablo Andrés Vargas-Rosales, Yaozong Li, Elena Bochenkova, Marcin Herok, František Zálešák, Amedeo Caflisch
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-qz0mn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Assigning Flavin’s Difference-FTIR Spectral Bands in Solution: Frequency and Intensity Shifts in Flavin’s 1-electron and 2-electron Reduced States

, Authors: D.P. Ngan Le, Gary Hastings, Samer Gozem
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-bwqx3
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Investigation of Acene Reduction with Boron Triiodide

, Authors: Andrej Corkovic, S. Genevieve Duggan, Pere Miro, Florence Williams
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-hbn33
 
Subject: Chemistry
,
Working Paper
, Title:

Low Symmetry Cage Complexes Formed by Metalation of Symmetric Hexa-Cationic Organic Cages

, Authors: Rosemary Goodwin, Annie Colebatch, Nicholas White
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-f49lx
 
Subject: Chemistry
,
Working Paper
, Title:

Application of ICP-MS in Quantifying the Accumulation of Trace Heavy Metals in Thai Basil (Ocimum basilicum)

, Authors: Trung Quang Nguyen, Tung Ngoc Nguyen, Minh Ngoc Truong, Minh Quang Bui, Hung Xuan Nguyen
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-t5z57
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Design of Generalist Cyclopropanases with Stereodivergent Selectivity

, Authors: Zhuofan Shen, Mary Siriboe, Xinkun Ren, Thakshila Dayananda, Jermaine Jenkins, Sagar Khare, Rudi Fasan
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-wzmzg
 
Subject: Chemistry
,
Working Paper
, Title:

Linking Structure and Topology in Single-Chain Nanoparticles using Simulations and Scattering Data

, Authors: Marco Werner, Johanna Engelke, Ralf Schweins, Jens-Uwe Sommer, Albena Lederer
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-5kfkx
 
Subject: Chemistry
,
Review
, Title:

Generating reliable and reproducible data for reusable quantum chemical reaction free-energy profiles

, Authors: Maren Podewitz
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-b56l6
 
Subject: Chemistry
,
Working Paper
, Title:

Computational analysis of compounds in the Guduchyadi Ayurvedic formulation and their potential interactions with SARS-CoV-2 Proteins

, Authors: Tanuja Nesari, Christian Garbe, Sakshi Bharti, Divya Kajaria, Prasanth Dharmarajan, Amit Pande, Arun NK, Suman Mishra, Sarang Limaye, Rahul Sharma
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-gxj60
 
Subject: Chemistry
,
Working Paper
, Title:

Diels-Alder/retro-Diels-Alder Reactions as Fold Altering Chemical Stimuli to Control the Self-assembly of Aromatic Oli-goamides

, Authors: Louis Smal, François Kerff, Koen Robeyns, Michael Singleton
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-g5nnd
 
Subject: Chemistry
,
Working Paper
, Title:

Design of a Dual-Functional Polymer for Fluorescent Zinc Detection and Boron Nitride Nanotube Functionalization

, Authors: Thang Quoc Huynh
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-rp4p3
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational analysis of macrocyclic compounds using a machine-learned interatomic potential

, Authors: Hani Hashim, Jeremy Harvey
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-bktvd
 
Subject: Chemistry
,
Working Paper
, Title:

Aldehydes as CO Releasing Molecules: in-situ and ex-situ Giese Reactions and Palladium Catalyzed Aminocarbonylations

, Authors: MAURIZIO FAGNONI, Elena Cassera
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-2s05k
 
Subject: Chemistry
,
Working Paper
, Title:

Preparation of poly-N-(methyl)aminooxy serine polypeptides by NCA ring-opening polymerization for modification with reducing oligosaccharides

, Authors: Francesco Palmieri, Marlinde Waardenburg, Justyna Dobruchowska, Elena Roditis, Tina Vermonden, Geert-Jan Boons
Version undefined posted 19 June 2025
Posted
Jun 19, 2025
10.26434/chemrxiv-2025-q3d3l
 
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