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Subject: Chemistry
,
Working Paper
, Title:

Biocompatible lysine protecting groups for the chemoenzymatic synthesis of K48/K63 heterotypic and branched ubiquitin chains

, Authors: Toshiki Mikami, Sohei Majima, Haewon Song, Jeffrey Bode
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-hlk3f
 
Subject: Chemistry
,
Working Paper
, Title:

BigSolDB: Solubility Dataset of Compounds in Organic Solvents and Water in a Wide Range of Temperatures

, Authors: Lev Krasnov, Simon Mikhaylov, Maxim Fedorov, Sergey Sosnin
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-qqslt
 
Subject: Chemistry
,
Working Paper
, Title:

Computing vibrational spectra using a new collocation method with a pruned basis and more points than basis functions: avoiding quadrature

, Authors: Jesse Simmons, Tucker CARRINGTON
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-fps4v-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Optically distinguishable electronic spin isomers of a stable organic diradical

, Authors: Daiki Shimizu, Hikaru Sotome, Hiroshi Miyasaka, Kenji Matsuda
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-b5pqp
 
Subject: Chemistry
,
Working Paper
, Title:

Two modes of fusogenic action for influenza virus fusion peptide

, Authors: Michal Michalski, Piotr Setny
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-q1tmf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery, synthesis and biological evaluation of a series of N-(phenylcarbamothioyl)-2-napthamides as inhibitors of Claudin-1

, Authors: Corey Hopkins, Viktoriya Mashinson, Thomas Webster, Anish Vadukoot, Kirsten Tolentino, Princess Simeon, Iram Fatima, Punita Dhawan
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-vnqnh
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective C–P Bond Formation through C(sp3)–H Functionalization

, Authors: Sandra Ardevines, Devan Horn, Juan V. Alegre-Requena, Marta González-Jiménez, M. Concepción Gimeno, Eugenia Marqués-López, Raquel P. Herrera
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-v3vl0
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-Enabled Ni(II)-Catalyzed Hydroxylarylation of Unactivated Alkenes With Molecular Oxygen

, Authors: Dao-Ming Wang, Li-Qin She, Hao Yuan, Yichen Wu, Peng Wang
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-0kcb5
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of binding affinities in chemical space with generative pretrained transformer and deep reinforcement learning

, Authors: Xiaopeng Xu, Juexiao Zhou, Chen Zhu, Qing Zhan, Zhongxiao Li, Ruochi Zhang, Yu Wang, Xingyu Liao, Xin Gao
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-7v4sw
 
Subject: Chemistry
,
Working Paper
, Title:

Direct measurements of size-independent lithium diffusion and reaction times in individual polycrystalline battery particles

, Authors: Jinhong Min, Lindsay Gubow, Riley Hargrave, Jason Siegel, Yiyang Li
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-7vgfx
 
Subject: Chemistry
,
Working Paper
, Title:

Multistep desolvation as a fundamental principle governing peptide self-assembly through liquid‒liquid phase separation

, Authors: Chengqian Yuan, Ruirui Xing, Jie Cui, Wei Fan, Junbai Li, Xuehai Yan
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-pvsw4
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous alignment and self-healing in multilayer soft electronics using dynamic polymers with immiscible backbones

, Authors: Christopher Cooper, Samuel Root, Lukas Michalek, Shuai Wu, Jian-Cheng Lai, Muhammad Khatib, Solomon Oyakhire, Renee Zhao, Jian Qin, Zhenan Bao
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-plz39
 
Subject: Chemistry
,
Working Paper
, Title:

PairNet: Predicting Correlation Energies with Correlated Features

, Authors: Zhihao Deng, Chang Liu, Haigang Lin, Yingsheng Zhang
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-n1skn
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical-chemical electron transfer in electrochromic nanoscale layers

, Authors: Yonatan Hamo, Alena Neudert, Tatyana Bendikov, Michal Lahav, Milko E. van der Boom
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-s5xfv
 
Subject: Chemistry
,
Working Paper
, Title:

Vertex Differentiation Strategy for Tuning the Physical Properties of closo-Dodecaborate Weakly Coordinating Anions

, Authors: Yessica Nelson, Ahamed Irshad, Sangmin Kim, Mary Waddington, Charlene Salamat, Milan Gembicky, Arnold Rheingold, Veronica Carta, Sarah Tolbert, Sri Narayan, Alexander Spokoyny
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-qngkp
 
Subject: Chemistry
,
Working Paper
, Title:

How and When Does an Enzyme React? Unraveling α-Amylase Catalytic Activity with Enhanced Sampling Techniques

, Authors: Sudip Das, Umberto Raucci, Rui Neves, Maria Ramos, Michele Parrinello
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-h1498
 
Subject: Chemistry
,
Working Paper
, Title:

Three-Dimensional Covalent Organic Frameworks with pts Topology for Controlled Anticancer Drug Delivery

, Authors: Saikat Das, Yu Zhao, Tsukasa Irie, Jin Sakai, Taishu Sekine, Haruna Mabuchi, Yuichi Negishi
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-tz5f8
 
Subject: Chemistry
,
Working Paper
, Title:

Bacterial Extracellular Electron Transfer Components are Spin Selective

, Authors: Christina M. Niman, Nir Sukenik, Tram Dang, Justus Nwachukwu, Anne K. Jones, Ron Naaman, Kakali Santra, Tapan K. Das, Yossi Paltiel, Lech Tomasz Baczewski, Mohamed Y. El-Naggar
Version undefined posted 03 April 2023
Posted
Apr 03, 2023
10.26434/chemrxiv-2023-030cv
 
Subject: Chemistry
,
Working Paper
, Title:

Towards exploring the activity landscape of peptide datasets using MAP4 fingerprint

, Authors: Edgar López-López, Oscar Robles, Fabien Plisson, José L. Medina-Franco
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-0j38z
 
Subject: Chemistry
,
Working Paper
, Title:

Vernonia amygdalina Extract Reverts Hematological and Biochemical Alterations in Rats Exposed to N-Nitroso-N-ethyl urea

, Authors: Olufunke Olugbenga, Joy Okpuzor
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-lnxwm
 
Subject: Chemistry
,
Working Paper
, Title:

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

, Authors: Yilong Zhou, Sigbjorn Bore, Andrea Tao, Francesco Paesani, Gaurav Arya
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-8s90g
 
Subject: Chemistry
,
Working Paper
, Title:

Strain-Enabled S-Arylation and S-Alkenylation of Sulfinamides

, Authors: Xi Zou, Boming Shen, Gao-lin Li, Qian Liang, Yanhua Ouyang, Binghe Yang, Peiyuan Yu, BING GAO
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-t0d4n
 
Subject: Chemistry
,
Working Paper
, Title:

Extended Curtin-Hammett principle: Origin of pathway selection in reversible reaction networks under kinetic control

, Authors: Satoshi Takahashi, Hirofumi Sato, Shuichi Hiraoka
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-37qp8
 
Subject: Chemistry
,
Working Paper
, Title:

Early stage growth process of dinaphtho[2, 3-b:2', 3'-f]thieno[3, 2-b]thiophene (DNTT) thin film

, Authors: Nobuya HIROSHIBA, Yuta Kawano, Richard Ongko, Ryosuke Matsubara, Atsushi Kubono, Hirotaka Kojima, Kazuto Koike
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-kld71
 
Subject: Chemistry
,
Working Paper
, Title:

First Crystal Structures of alpha,delta-Peptidic Foldamers and Solution State NMR Show an Unusual 13/11 Helix: Rational Design and Application as a Minimalist Aldolase Mimic

, Authors: Alexander Cobb, Qi Lin, Hao Lan, Kenneth Shankland, Rebecca Musgrave, Peter Horton, Carsten Baldauf, Hans-Jorg Hofmann, Craig Butts, Manuel Mueller, Chunmiao Ma
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-ks4t3
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the AIE phenomenon of nonconjugated rhodamine derivatives through a new viewpoint of symmetry breaking

, Authors: Lin-Lin Yang, Haoran Wang, Jianyu Zhang, Qiyao Li, Jie-Ying Chen, A-Ling Tang, Jacky W. Y. Lam, Zheng Zhao, Song Yang, Ben Zhong Tang
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-1g9xr
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic HF Shuttling between Fluoroalkanes and Alkynes

, Authors: Daniel Mulryan, Feriel Rekhroukh, Shannon Farley, Mark Crimmin
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-lxv28
 
Subject: Chemistry
,
Working Paper
, Title:

Ruthenium-Catalyzed Chiral Sulfoximine Directed One-pot Asymmetric Multiple C-H Functionalizations

, Authors: Somratan Sau, Kallol Mukherjee, Koneti Kondalarao, Vincent Gandon, Akhila Sahoo
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-c4c6n
 
Subject: Chemistry
,
Review
, Title:

Using Saliva and LAMP for Non-invasive Detection of Communicable Pathogens in Low Medical Access Regions

, Authors: Reham Alhakeem, Vitória Arruda, Kaylin Steinberg, Christian Code, Adriana Freitas Neves
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-hnqv1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Markov State Model of Solvent Features Reveals Water Dynamics in Protein-Peptide Binding

, Authors: Robert Raddi, Vincent Voelz
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-r6njk
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism of Stoichiometrically Governed Titanium Oxide Brownian Tree Formation on Stepped Au(111)

, Authors: Robert H. Lavroff, Jason Wang, Michael G. White, Philippe Sautet, Anastassia N. Alexandrova
Version undefined posted 04 April 2023
Posted
Apr 04, 2023
10.26434/chemrxiv-2023-2gt6z
 
Subject: Chemistry
,
Review
, Title:

Using Science as a Tool to Shape Political Opinion

, Authors: James C Callaway, Bernhard Richard Beitzke
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-s5dhp
 
Subject: Chemistry
,
Working Paper
, Title:

Improved label-free quantification of intact proteoforms using field asymmetric ion mobility spectrometry

, Authors: Jake T. Kline, Michael W. Belford, Jingjing Huang, Joseph B. Greer, David Bergen, Ryan T. Fellers, Sylvester M. Greer, David M. Horn, Vlad Zabrouskov, Romain Huguet, Cornelia L. Boeser, Kenneth R. Durbin, Luca Fornelli
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-2gkr3
 
Subject: Chemistry
,
Working Paper
, Title:

Tracking the Chemical Diversity of Enzymatically Oxidised Lignin.

, Authors: Zak Towle, Faye Cruickshank, C. Logan Mackay, David J. Clarke, Louise E. Horsfall
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-gvj9p
 
Subject: Chemistry
,
Working Paper
, Title:

Modulating Escape Channels of Cycloheptatrienyl Rhodium Carbenes to Form Semibullvalene

, Authors: Croix Laconsay, Dean Tantillo
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-l76mw
 
Subject: Chemistry
,
Working Paper
, Title:

Comonomer Isomers Result in Varied Optical Properties for Long Wavelength Infrared-Transmitting ORMOCHALC Polymers

, Authors: Darryl Boyd, Vinh Nguyen, Frederic Kung, Nia Pollard, Jason Myers, Daniel Gibson, Collin McClain, Colin Baker, Andre Clayborne, Woohong Kim, Jasbinder Sanghera
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-qqjkn
 
Subject: Chemistry
,
Working Paper
, Title:

Thermoset Polymers Characterization as a Function of Cure State Using Off-stoichiometry Proxies

, Authors: Michael Olaya, Sagar Shah, Marianna Maiaru
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2022-ddlc9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Untangling the Fundamental Electronic Origins of Non-Local Electron-Phonon Coupling in Organic Semiconductors

, Authors: Peter Banks, Gabriele D'Avino, Guillaume Schweicher, Jeff Armstrong, Chrisitian Ruzie, Jong Won Chung, Chizuru Sawabe, Jeong-Il Park, Toshihiro Okamoto, Jun Takeya, Henning Sirringhaus, Michael Ruggiero
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-9v4s5
 
Subject: Chemistry
,
Working Paper
, Title:

Electroreductive Synthesis of Nickel(0) Complexes

, Authors: Camille Rubel, Yilin Cao, Tamara El-Hayek Ewing, Gabriele Laudadio, Gregory Beutner, Steven Wisniewski, Xiangyu Wu, Phil Baran, Julien Vantourout, Keary Engle
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-sgnl1
 
Subject: Chemistry
,
Working Paper
, Title:

Combining SILCS and Artificial Intelligence for High-Throughput Prediction of Drug Molecule Passive Permeability

, Authors: Alexander MacKerell, Poonam Pandey
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-rjv6c
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of phosphorylation on the activity, inhibition and stability of carbonic anhydrases

, Authors: Xiaojing Huang, Daniel Winter, Dominic Glover, Claudiu Supuran, William Donald
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-r1cs3
 
Subject: Chemistry
,
Working Paper
, Title:

Gram-Scale Synthesis of Site-Specific Antibody-Drug Conjugates Using AJICAP Second-Generation Technology

, Authors: Tomohiro Watanabe, Tomohiro Fujii, Jason Stofleth, Rika Takasugi, Kazutoshi Takahashi, Yutaka Matsuda
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-rfvnk
 
Subject: Chemistry
,
Working Paper
, Title:

Surface Redox Dynamics in Gold-Zinc CO2 Hydrogenation Catalysts Amplified by Transient X-Ray Absorption Spectroscopy

, Authors: Scott Docherty, Olga Safonova, Christophe Copéret
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-3765v
 
Subject: Chemistry
,
Working Paper
, Title:

Visualization of π-hole in molecules by means of Kelvin probe force microscopy

, Authors: Benjamin Mallada, Martin Ondráček, Maximiliam Lamanec, Aurelio Gallardo, Alejandro Jiménez-Martín, Bruno de la Torre, Pavel Hobza, Pavel Jelínek
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-gw0xn
 
Subject: Chemistry
,
Working Paper
, Title:

Biological auto(chemi)luminescence imaging of oxidative processes in human skin

, Authors: Michaela Poplová, Ankush Prasad, Eduard Van Wijk, Pavel Pospíšil, Michal Cifra
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-6n0vb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reactivity, Regioselectivity, and Synthetic Application of 2-Pyrenyl Units in Scholl Reactions

, Authors: Sai Ho Pun, Ethan Chi Ho Wen, Zeming Xia, Han Chen, Felix R. Fischer, Qian Miao
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-dp14j
 
Subject: Chemistry
,
Working Paper
, Title:

Methods of protection of electrochemical sensors against biofouling in cell culture applications

, Authors: Elżbieta Jarosińska, Zuzanna Zambrowska, Emilia Witkowska Nery
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-1dcqw
 
Subject: Chemistry
,
Working Paper
, Title:

Explaining compound activity predictions with a substructure-aware loss for graph neural networks

, Authors: Kenza Amara, Raquel Rodriguez-Perez, José Jiménez Luna
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2022-qxq56-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing the effect of protein corona formation in the process of EV surface engineering

, Authors: Angelo Musicò, Rossella Zenatelli, Miriam Romano, Andrea Zendrini, Silvia Alacqua, Selene Tassoni, Lucia Paolini, Chiara Urbinati, Marco Rusnati, Paolo Bergese, Giuseppe Pomarico, Annalisa RADEGHIERI
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-rh5s8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Diphenyl ditelluride assisted synthesis of noble metal-based Silver-Telluride 2D organometallic Nanofibers with enhanced aggregation-induced emission (AIE) using oleylamine.

, Authors: Jamila Djafari, Frederico Duarte, Javier Fernández-Lodeiro, Adrián Fernández-Lodeiro, Hugo M Santos, Eva Bladt, Sara Bals, Aikaterini Flessa-Savvidou, Luis Balicas, Benito Rodríguez-González, Alcindo Aparecido Dos Santos, José Luis Capelo-Martínez, Carlos Lodeiro
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-cc18s
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrogenated Aromatics from Chitin.

, Authors: Camila Santos, Renan Mattioli, Júlia Baptista, Vitor Da Silva, Duncan Browne, Julio Pastre
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2022-9ld3l-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking copper catalysis with nitro compounds: Synthesis of functionalized allylboranes from allylic nitroalkanes

, Authors: Nicolas Fincias, Louis Clavier, Mansour Dole Kerim, Nicolas Casaretto, Julian Garrec, Stellios Arseniyadis, Laurent El Kaïm
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-mztk4
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling Hydrogen Atom Transfer Mechanisms with Voltammetry: Oxidative Formation and Reactivity of Cobalt Hydride

, Authors: Dylan Boucher, Andrew Pendergast, Xiangyu Wu, Zachary Nguyen, Song Lin, Henry White, Shelley Minteer
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-sq57k
 
Subject: Chemistry
,
Working Paper
, Title:

Tandem InCl3-promoted hydroperoxide rearrangements and nucleophilic additions, a straightforward entry to benzoxacycles

, Authors: Alexandra Bosnidou, Agathe Fayet, Cristina Cheibas, Oscar Gayraud, Sophie Bourcier, Gilles Frison, Bastien Nay
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-7b93n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hexafluoroisopropanol (HFIP) as a multifunctional agent in gold-catalyzed cycloisomerizations and sequential transfor-mations

, Authors: Nikolaos Tzouras, Leandros Zorba, Entzy Kaplanai, Nikolaos Tsoureas, David Nelson, Steven Nolan, Georgios Vougioukalakis
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-9pdgb
 
Subject: Chemistry
,
Working Paper
, Title:

[4.3.1] Bicyclic FKBP ligands inhibit Legionella pneumophila infection by LpMip-dependent and LpMip independent mechanisms

, Authors: Robin Deutscher, Safa Karagöz, Patrick Purder, Jürgen Kolos, Christian Meyners, Wisely Sugiarto, Patryk Krajczy, Frederike Tebbe, Thomas Geiger, Can Ünal, Ute Hellmich, Michael Steinert, Felix Hausch
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-vfssm
 
Subject: Chemistry
,
Review
, Title:

Electrochemical wastewater refining: a vision for circular chemical manufacturing

, Authors: Dean Miller, Kristen Abels, Jinyu Guo, Kindle Williams, Matthew Liu, William Tarpeh
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-1tdxx
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical Investigation of the Mechanism of the Hock rearrangement with InCl3 as Catalyst

, Authors: Agathe Fayet, Sophie Bourcier, Nicolas Casaretto, Bastien Nay, Gilles Frison
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-5hzrp-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Guided Diffusion for Inverse Molecular Design

, Authors: Tomer Weiss, Luca Cosmo, Eduardo Mayo Yanes, Sabyasachi Chakraborty, Alex M. Bronstein, Renana Gershoni-Poranne
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-z8ltp
 
Subject: Chemistry
,
Working Paper
, Title:

Sonocrystallization Induced Thermally Activated Delayed Fluorescence via Distortion of Molecular Geometry

, Authors: Antonio Maggiore, YangYang Qu, Piotr Pander, Fernando B. Dias, Gilles Clavier, Regis Guillot, Pierre Audebert, Fabien Miomandre
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.26434/chemrxiv-2023-5d72m
 
Subject: Film, Media, Mass Communication
,
Working Paper
, Title:

Selling unsustainable: The influence of advertising in emissions via UK consumption

, Authors: Grace Kite, Leonardo Vanduynslager
Version undefined posted 05 April 2023
Posted
Apr 05, 2023
10.33774/coe-2023-v2j1b
 
Subject: Chemistry
,
Working Paper
, Title:

A “Common-Precursor” Protein Mimetic Approach to Rescue Aβ Aggregation-mediated Alzheimer’s Phenotypes

, Authors: Ryan Dohoney, Johnson Joseph, Charles Baysah, Alexandra Thomas, Apshara Siwakoti, Tyler Ball, Sunil Kumar
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-8lvbl
 
Subject: Life Sciences
,
Working Paper
, Title:

Long-term impacts of SARS-CoV-2 on gastrointestinal tract

, Authors: Kaiyue He, Liyuan Lu, Zhixiang Xu, Yongping Jian
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.33774/coe-2023-s7pnp
 
Subject: Chemistry
,
Working Paper
, Title:

Mass Transport Modifies the Interfacial Electrolyte to Influence Electrochemical Nitrate Reduction

, Authors: Jinyu Guo, Paige Brimley, Matthew Liu, Elizabeth Corson, Carolina Munoz, Wilson Smith, William Tarpeh
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-0vs6r
 
Subject: Chemistry
,
Working Paper
, Title:

Taming the Dichalcogenides: Isolation, Characterization, and Reactivity of Elusive Perselenide, Persulfide, Thioselenide, and Selenosulfide Anions

, Authors: Keyan Li, Lev Zakharov, Michael Pluth
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-bclq3
 
Subject: Chemistry
,
Working Paper
, Title:

Cu₂SiSe₃ as a promising solar absorber: harnessing cation dissimilarity to avoid killer antisites

, Authors: Adair Nicolson, Seán R. Kavanagh, Christopher N. Savory, Graeme W. Watson, David O. Scanlon
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-7454p
 
Subject: Chemistry
,
Working Paper
, Title:

Tribology of Copper Metal-Matrix Composites Reinforced with Fluorinated Graphene Oxide Nanosheets: Implications for Solid Lubricants in Mechanical Switches

, Authors: Nicky Savjani, Vicente Orts Mercadillo, Darren Hodgeman, George Paterakis, Yubao Deng, Cristina Valles, George Anagnostopoulos, Costas Galiotis, Mark Bissett, Ian Kinloch
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-mxb3q-v2
 
Subject: Chemistry
,
Review
, Title:

A Roadmap for Achieving Scalable, Safe, and Low-cost Direct Air Carbon Capture and Storage

, Authors: Lukas Küng, Silvan Aeschlimann, Charithea Charalambous, Fergus McIlwaine, John Young, Noah Shannon, Karen Strassel, Cara Maesano, Rudy Kahsar, Daniel Pike, Mijndert van der Spek, Susana Garcia
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-5f00r-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Multiscale Process Modeling of a Carbon Fiber/Epoxy Composite for Predicting Residual Stress and Strength

, Authors: Prathamesh Deshpande, Michael Olaya, Aaron Krieg, Sagar Patil, Sagar Shah, Julia King, Gregory Odegard, Marianna Maiaru
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-sc4mx
 
Subject: Chemistry
,
Working Paper
, Title:

Initial steps in the formation of the solid electrolyte interphase on alkaline metal anodes studied by ab initio simulations

, Authors: Daniel Stottmeister, Axel Gross
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-6m8s1
 
Subject: Chemistry
,
Working Paper
, Title:

Metadynamics simulations with Bohmian-style bias potential

, Authors: Denis Tikhonov
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-jd2m3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Models of Polaron Transport in Inorganic and Hybrid Organic-Inorganic Titanium Oxides

, Authors: Kazuki Morita, Matthias Golomb, Miguel Rivera, Aron Walsh
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-2lgv9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric Bipolar Membrane for High Current Density Electrodialysis Operation with Exceptional Stability

, Authors: Éowyn Lucas, Justin Bui, Monica Hwang, Kaiwen Wang, Alexis Bell, Adam Weber, Shane Ardo, Harry Atwater, Chengxiang Xiang
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-n4c6x
 
Subject: Chemistry
,
Working Paper
, Title:

Bubble Detection on the Cathode and Anode of a High-Performing Capillary-Fed Water Electrolysis Cell

, Authors: Gerhard Swiegers, Anh Linh Hoang, Rhodri E. Owen, George Tsekouras, Dan J. L. Brett
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-hqppl
 
Subject: Chemistry
,
Working Paper
, Title:

A simple, sustainable route to flexible microporous carbon cloth for energy storage applications

, Authors: Thria Alkhaldi, L. Scott Blankenship, Robert Mokaya
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-08z77
 
Subject: Chemistry
,
Working Paper
, Title:

Porphyrin-Fused Graphene Nanoribbons

, Authors: Qiang Chen, Alessandro Lodi, Heng Zhang, Alex Gee, Hai Wang, Fanmiao Kong, Michael Clarke, Matthew Edmondson, Jack Hart, James O’Shea, Wojciech Stawski, Jonathan Baugh, Akimitsu Narita, Alex Saywell, Mischa Bonn, Klaus Müllen, Lapo Bogani, Harry Anderson
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-ghvdb
 
Subject: Chemistry
,
Working Paper
, Title:

Guest-Induced Pore Breathing Controls Spin State in a Cyanido-Bridged Framework

, Authors: Michał Magott, Klaudia Płonka, Barbara Sieklucka, Katarzyna Dziedzic-Kocurek, Wataru Kosaka, Hotoshi Miyasaka, Dawid Pinkowicz
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-djh1h
 
Subject: Chemistry
,
Working Paper
, Title:

On the Automatic Optimization of Lipid Models in the Martini Force Field using SwarmCG

, Authors: Charly Empereur-mot, Kasper B. Pedersen, Riccardo Capelli, Martina Crippa, Cristina Caruso, Mattia Perrone, Paulo C.T. Souza, Siewert J. Marrink, Giovanni M. Pavan
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-q5rvm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ex situ Generation of Thiazyl Trifluoride (NSF₃) as a Gaseous SuFEx Hub

, Authors: Bing-Yu Li, Kexin Su, Luc Van Meervelt, Steven H.L. Verhelst, Ermal Ismalaj, Wim M. De Borggraeve, Joachim Demaerel
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-l4ztm
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer Reaction Engineering meets Explainable Machine Learning

, Authors: Jelena Fiosina, Philipp Sievers, Marco Drache, Sabine Beuermann
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-5vd8h
 
Subject: Chemistry
,
Working Paper
, Title:

Easy, robust, and repeatable online acid cleavage of proteins in mobile phase for fast quantitative LC-MS bottom-up proteomics – application for ricin detection

, Authors: Denis Naplekov, Siddharth Jadeja, Alena Fučíková, František Švec, Hana Sklenářová, Juraj Lenčo
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-jnc7v
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Neutral Synthesis of Sulfilimines through the S-Alkylation of Sulfenamides

, Authors: Xunbo Lu, Guoling Huang, Kaiyuan Yang, Xinyu Xu
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2023-253pv
 
Subject: Chemistry
,
Working Paper
, Title:

Dual Chalcogen-bonding interactions for the conformational control of urea

, Authors: Takumi Furuta, Takumi Inoue, Moe Ota, Yui Amijima, Haru Takahashi, Shohei Hamada, Yusuke Kobayashi, Takahiro Sasamori
Version undefined posted 06 April 2023
Posted
Apr 06, 2023
10.26434/chemrxiv-2022-dt0lk-v2
 
Subject: Chemistry
,
Review
, Title:

Basic principle from electrospray ionization to soft ionization mass spectrometry and development of ion source: part Ⅱ

, Authors: Jiehong Luo
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2022-n13d1-v8
 
Subject: Chemistry
,
Review
, Title:

The Catcher in the Water: Magnetic Biochar for the Treatment of Wastewater

, Authors: Amelia Carolina Sparavigna
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-rg552
 
Subject: Chemistry
,
Working Paper
, Title:

Lipidic drug delivery systems: is the microbiome a cause for concern?

, Authors: Jonathan Caukwell, Salvatore Assenza, Karl Hassan, Brett Neilan, Livia Salvati Manni, Wye-Khay Fong
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-w8c40
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding the Scope of Hypervalent Iodine Reagents in the Synthesis of Sulfinamides from Sulfenamides

, Authors: Xunbo Lu, Guoling Huang, Jianlin Ye, Muhammad Adnan Bashir, Yuetong Chen, Wenjing Chen
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-b0d6x
 
Subject: Chemistry
,
Review
, Title:

Antibacterial Nanomaterials for Dental Implants: From Coatings to Surface Modifications

, Authors: Tarun Mateti, Venkat Tummala, Aditya T G, Likhith K, Goutam Thakur, Seeram Ramakrishna, Anindita Laha
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-fnnvp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A hybrid off-lattice kinetic Monte Carlo/molecular dynamics method for amorphous thin film growth

, Authors: Stavros Ntioudis, James Patrick Ewen, Daniele Dini, Christoffer Heath Turner
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-9fl0k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating Trivalent Ion Adsorption at Floating Carboxylic Acid Monolayers: Charge Reversal or Water Reorganization?

, Authors: Srikanth Nayak, Raju R. Kumal, Seung Eun Lee, Ahmet Uysal
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-n278x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Substrate driven Spin Crossover in a Fe(II) scorpionate complex.

, Authors: Margaux Pénicaud, Edoardo Martinez, Giulia Serrano, Brunetto Cortigiani, Lorenzo Squillantini, Juan González-Estefan, Emilio Velez-Fort, Mathieu Duttine, Mathieu Gonidec, Patrick Rosa, Matteo Mannini, Lorenzo Poggini
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-vxngn
 
Subject: Chemistry
,
Working Paper
, Title:

Curing-Induced Residual Stress and Strain in Thermoset Composites

, Authors: Manish Nagaraj, Marianna Maiaru
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-qg7zx
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries

, Authors: Evan Walter Clark Spotte-Smith, Samuel M. Blau, Daniel Barter, Noel J. Leon, Nathan T. Hahn, Nikita S. Redkar, Kevin R. Zavadil, Chen Liao, Kristin A. Persson
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-tntkg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Solvation of furfural at metal|water interfaces: Implications for aqueous phase hydrogenation reactions

, Authors: Sihang Liu, Sudarshan Vijay, Mianle Xu, Ang Cao, Hector Prats, Georg Kastlunger, Hendrik Heenen, Nitish Govindarajan
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-b9mtd
 
Subject: Chemistry
,
Working Paper
, Title:

DockSurf: A molecular modeling software for the prediction of protein/surface adhesion.

, Authors: Florent Barbault, Eric Bremond, Julien Rey, Pierre Tuffery, François Maurel
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-5jml9
 
Subject: Chemistry
,
Working Paper
, Title:

Photoactive yellow protein adsorption at hydrated polyethyleneimine and poly-L-glutamic acid interfaces

, Authors: Szilvia Krekic, Mark Mero, Michel Kuhl, Kannan Balasubramanian, Andras Der, Zsuzsanna Heiner
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-zmtk4
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the catalytic active sites of crystalline CoSb2O6 for electrochemical chlorine evolution

, Authors: Heng Dong, Xiaohan Shao, Sean McBeath, William Tarpeh, Michael Hoffmann
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-09z3f
 
Subject: Chemistry
,
Working Paper
, Title:

A community effort to discover small molecule SARS-CoV-2 inhibitors

, Authors: Johannes Schimunek, Philipp Seidl, Katarina Elez, Tim Hempel, Tuan Le, Frank Noé, Simon Olsson, Lluís Raich, Robin Winter, Hatice Gokcan, Filipp Gusev, Evgeny M. Gutkin, Olexandr Isayev, Maria G. Kurnikova, Chamali H. Narangoda, Roman Zubatyuk, Ivan P. Bosko, Konstantin V. Furs, Anna D. Karpenko, Yury V. Kornoushenko, Mikita Shuldau, Artsemi Yushkevich, Mohammed B. Benabderrahmane, Patrick Bousquet-Melou, Ronan Bureau, Beatrice Charton, Bertrand C. Cirou, Gérard Gil, William J. Allen, Suman Sirimulla, Stanley Watowich, Nick A. Antonopoulos, Nikolaos E. Epitropakis, Agamemnon K. Krasoulis, Vassilis P. Pitsikalis, Stavros T. Theodorakis, Igor Kozlovskii, Anton Maliutin, Alexander Medvedev, Petr Popov, Mark Zaretckii, Hamid Eghbal-zadeh, Christina Halmich, Sepp Hochreiter, Andreas Mayr, Peter Ruch, Michael Widrich, Francois Berenger, Ashutosh Kumar, Yoshihiro Yamanishi, Kam Y.J. Zhang, Emmanuel Bengio, Yoshua Bengio, Moksh J. Jain, Maksym Korablyov, Cheng-Hao Liu, Gilles Marcou, Enrico Glaab, Kelly Barnsley, Suhasini M. Iyengar, Mary Jo Ondrechen, V. Joachim Haupt, Florian Kaiser, Michael Schroeder, Luisa Pugliese, Simone Albani, Christina Athanasiou, Andrea Beccari, Paolo Carloni, Giulia D'Arrigo, Eleonora Gianquinto, Jonas Goßen, Anton Hanke, Benjamin P. Joseph, Daria B. Kokh, Sandra Kovachka, Candida Manelfi, Goutam Mukherjee, Abraham Muñiz-Chicharro, Francesco Musiani, Ariane Nunes-Alves, Giulia Paiardi, Giulia Rossetti, S. Kashif Sadiq, Francesca Spyrakis, Carmine Talarico, Alexandros Tsengenes, Rebecca C. Wade, Conner Copeland, Jeremiah Gaiser, Daniel R. Olson, Amitava Roy, Vishwesh Venkatraman, Travis J. Wheeler, Haribabu Arthanari, Klara Blaschitz, Marco Cespugli, Vedat Durmaz, Konstantin Fackeldey, Patrick D. Fischer, Christoph Gorgulla, Christian Gruber, Karl Gruber, Michael Hetmann, Jamie E. Kinney, Krishna M. Padmanabha Das, Shreya Pandita, Amit Singh, Georg Steinkellner, Guilhem Tesseyre, Gerhard Wagner, Zi-Fu Wang, Ryan J. Yust, Dmitry S. Druzhilovskiy, Dmitry A. Filimonov, Pavel V. Pogodin, Vladimir Poroikov, Anastassia V. Rudik, Leonid A. Stolbov, Alexander V. Veselovsky, Maria De Rosa, Giada De Simone, Maria R. Gulotta, Jessica Lombino, Nedra Mekni, Ugo Perricone, Arturo Casini, Amanda Embree, D. Benjamin Gordon, David Lei, Katelin Pratt, Christopher A. Voigt, Kuang-Yu Chen, Yves Jacob, Tim Krischuns, Pierre Lafaye, Agnès Zettor, M. Luis Rodríguez, Kris M. White, Daren Fearon, Frank Von Delft, Martin A. Walsh, Dragos Horvath, Charles L. Brooks III, Babak Falsafi, Bryan Ford, Adolfo García-Sastre, Sang Yup Lee, Nadia Naffakh, Alexandre Varnek, Günter Klambauer, Thomas M. Hermans
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-1d5w8
 
Subject: Chemistry
,
Working Paper
, Title:

ChatGPT Needs a Chemistry Tutor Too

, Authors: Alfredo Leon, Dinesh Vidhani
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-qpzx3
 
Subject: Chemistry
,
Working Paper
, Title:

Ring Opening of Aziridines by Pendant Silanols Allows for Stereospecific Preparations of 1’-Amino-Tetrahydrofurans

, Authors: Shyam Sathyamoorthi, Appasaheb Nirpal, Someshwar Nagamalla, Joel Mague
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-nn6b3
 
Subject: Chemistry
,
Working Paper
, Title:

Ionic Blockades Control the Efficiency of Energy Recovery in Forward Bias Bipolar Membranes

, Authors: Wei Lun Toh, Hieu Dinh, An Chu, Ethan Sauvé, Yogesh Surendranath
Version undefined posted 07 April 2023
Posted
Apr 07, 2023
10.26434/chemrxiv-2023-wkjmm
 
Subject: Chemistry
,
Review
, Title:

Paper-Based Biosensors for the Point-of-Care detection of human serum albumins – A Mini Review

, Authors: Wei Wong
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-7sqw0
 
Subject: Chemistry
,
Working Paper
, Title:

Coupled cluster finite temperature simulations of periodic materials via machine learning

, Authors: Basile Herzog, Alejandro Gallo, Felix Hummel, Michael Badawi, Tomáš Bučko, Sébastien Lebègue, Andreas Grüneis, Dario Rocca
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-mvsxn
 
Subject: Chemistry
,
Working Paper
, Title:

Ballistic Brownian motion of nanoconfined DNA

, Authors: Ignacio Madrid, Zhiyong Zheng, Cedric Gerbelot, Akira Fujiwara, Shuo Li, Simon Grall, Katsuhiko Nishiguchi, Soo-Heon Kim, Arnaud Chovin, Christophe Demaille, Nicolas Clement
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-0k6z5
 
Subject: Chemistry
,
Working Paper
, Title:

Complex formation of Cucurbit[6]uril with DABCO and DABCO derivatives: An experimental and DFT study

, Authors: Andreas Wego, Achim Zielesny
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-cz438
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of fiber-based super-bridging agents on contaminant removal via settling and screening: microplastics, textile fibers, and turbidity

, Authors: Walid Alioua, Mathieu Lapointe
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-wpvhf
 
Subject: Chemistry
,
Working Paper
, Title:

Rate Equations for Reversible Disproportionation Reactions and Fitting to Timecourse Data

, Authors: James Gerken, Alexios Stamoulis, Shannon Stahl
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-ns82p
 
Subject: Chemistry
,
Working Paper
, Title:

De Novo Design of Molecules Towards Biased Properties via a Deep Generative Framework and Iterative Transfer Learning

, Authors: Kianoosh Sattari, Dawei Li, Yunchao Xie, Olexandr Isayev, Jian Lin
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-0zv2f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reimagining Hair Science: A New Approach to Classify Curly Hair Phenotypes via New Quantitative Geometrical & Structural Mechanical Parameters

, Authors: Michelle Gaines, Imani Page, Nolan Miller, Benjamin Greenvall, Josh Medina, Duncan Irschick, Adeline Southard, Alexander Ribbe, Gregory Grason, Alfred Crosby
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2022-35bt7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Shrinkage Characterization during Curing through Three-Dimensional Digital Image Correlation

, Authors: Kalima Bukenya, Sagar Shah, Alessandro Sabato, Marianna Maiaru
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-6xg1d
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Formation of C-S Bonds from CO2 and Small Molecule Sulfur Species

, Authors: Junnan Li, Hasan Al-Mahayni, Daniel Chartrand, Ali Seifitokaldani, Nikolay Kornienko
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2022-cn3qd-v3
 
Subject: Chemistry
,
Working Paper
, Title:

N-heteroacenes as an organic gain medium for room temperature masers

, Authors: Max Attwood, Xiaotian Xu, Michael Newns, Zhu Meng, Rebecca Ingle, Hao Wu, Xi Chen, Weidong Xu, Wern Ng, Temitope Abiola, Vasilos Stavros, Mark Oxborrow
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-j0rj6-v2
 
Subject: Chemistry
,
Review
, Title:

Non-Native Site-Selective Enzyme Catalysis

, Authors: Dibyendu Mondal, Harrison M. Snodgrass, Christian A. Gomez, Jared C. Lewis
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-sq85v
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative image analysis of microplastics in bottled water using Artificial Intelligence

, Authors: Clementina Vitali, Ruud J. B. Peters, Hans-Gerd Janssen, Anna K. Undas, Sandra Munniks, Francesco Simone Ruggeri, Michel W. F. Nielen
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2022-cr5ws-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Multicopper Clusters Catalyze the Oxidative Phenol Macrocyclization (OxPM) of Linear Peptides

, Authors: Anna Libman, Mor Ben-Lulu, Eden Gaster, Ratnadeep Bera, Alexander I. Shames, Omer Shaashua, Vlada Vershinin, Yury Torubaev, Doron Pappo
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-4rn9b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Catalyst Self-Assembly Accelerates Bimetallic Light-Driven Electrocatalytic H2 Evolution in Water

, Authors: Isaac Cloward, Tianfei Liu, Jamie Rose, Annabell Bonn, Tamara Jurado, Matthew Chambers, Catherine Pitman, Marc ter Horst, Alexander Miller
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-kf54s
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Access to Free Phenols by Photocatalytic Acceptorless Dehydrogenation of Cyclohexanones at Room Temperature

, Authors: Wei Shu, Lin Min, Jia-Ni Lin
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-wrq5d
 
Subject: Chemistry
,
Working Paper
, Title:

Low-Spin to Low-Spin Valence Tautomeric Transition in Cobalt Dioxolenes

, Authors: Max Mörtel, Johannes Oschwald, Andreas Scheurer, Thomas Drewello, Marat Khusniyarov
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-wljnv
 
Subject: Chemistry
,
Working Paper
, Title:

Insight into the Amine-Assisted Metal-free Chemoselctive Reductive Amination of Carbonyl Compounds Under Mild Conditions

, Authors: Arup Mukherjee, Deep Chowdhury
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-n9n1l
 
Subject: Chemistry
,
Working Paper
, Title:

From Single-Particle to Collective Dynamics in Supercooled Liquids

, Authors: Dmitry Matyushov, Ranko Richert
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-6t18f
 
Subject: Earth and Environmental Sciences
,
Poster
, Title:

Indoor heat stress mitigation in low-income Kenyan homes with mosquito prevention intervention

, Authors: Ronita Bardhan, Haiwei Li, Bernard Abong’o, Haima Raman, Yongling Zhao
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.33774/coe-2023-vs1gp
 
Subject: Mathematics
,
Working Paper
, Title:

Review on the Gamma Function and Error Correction

, Authors: Chinnaraji Annamalai
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.33774/coe-2023-b3xsg
 
Subject: General Science
,
Working Paper
, Title:

Building Strong Health and Career Trajectories Through Translational Research

, Authors: M Elizabeth O'Leary, Marina White, Julie Nihouarn Sigurdardottir, Hailey Scott, Angela Marcela Jaramillo-Ospina, Shameena Bake, Kristin Connor
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.33774/coe-2023-2xhph
 
Subject: Chemistry
,
Working Paper
, Title:

Si-Cr alloy anodes for Lithium-ion batteries Synthesized by a High-energy Ball-milling method: Microstructure, Carbon Coating, and Electrochemistry

, Authors: Xingyu Zhang, Luqi Wang, Tianye Zheng, Kwok-ho Lam
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-btx4n
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Neural Network Models of Chemical Kinetics Using a Latent asinh Rate Transformation

, Authors: Felix Döppel, Martin Votsmeier
Version undefined posted 10 April 2023
Posted
Apr 10, 2023
10.26434/chemrxiv-2023-439sp
 
Subject: Chemistry
,
Working Paper
, Title:

Robust Chemoenzymatic Synthesis of the Keratinimicin Aglycone Facilitated by the Structure and Selectivity of OxyB

, Authors: Nicole Hauser, Kendra Ireland, Vasiliki Chioti, Katherine Davis, Mohammad Seyedsayamdost
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-dklsp
 
Subject: Chemistry
,
Working Paper
, Title:

Graph Neural Network Guided Evolutionary Search of Grain Boundaries in 2D Materials

, Authors: Jianan Zhang, Aditya Koneru, Subramanian Sankaranarayanan, Carmen Lilley
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-2h5r8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

DeepDelta: Predicting Pharmacokinetic Improvements of Molecular Derivatives with Deep Learning

, Authors: Zachary Fralish, Ashley Chen, Paul Skaluba, Daniel Reker
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-gbchq
 
Subject: Chemistry
,
Working Paper
, Title:

Electrically Conductive [Fe4S4]-based Organometallic Polymers

, Authors: Kentaro Kadota, Tianyang Chen, Eoghan Gormley, Christopher Hendon, Mircea Dinca, Carl Brozek
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-p8jvp
 
Subject: Chemistry
,
Working Paper
, Title:

Growth and Passivation of Individual Carbon Nanoparticles by C2H2 addition at High Temperatures: Dependence of Growth Rate and Evolution on Material and Size

, Authors: Chris Lau, Daniel Rodriguez, Abigail Friese, Scott Anderson
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-g9sm2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of potent antileukemic quinazoline-thiohydantoin fused heterocycles enabled by metal-free domino reaction

, Authors: Lena Kersting, Christoph Zippel, Lars Herrmann, Ean-Jeong Seo, Mohamed E.M. Saeed, Angelika Gaube, Dhanir Tailor, Arpit Dheeraj, Sanjay V. Malhotra, Susanne Muehlich, Thomas Efferth, Svetlana B. Tsogoeva
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-27xgq
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling intramolecular and intermolecular electronic coupling of radical ligands in a series of cobaltoviologen complexes

, Authors: Brice J. O. Kessler, Iram F. Mansoor, Derek I. Wozniak, Thomas J. Emge, Mark C. Lipke
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-gcwqn
 
Subject: Chemistry
,
Working Paper
, Title:

Inverse Design of ZIFs through Artificial Intelligence Methods

, Authors: Panagiotis Krokidas, Michael Kainourgiakis, Theodore Steriotis, George Giannakopoulos
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-s726s
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Dearomatizing Spirolactonization and Spiroetherification of Free Arenols

, Authors: Somayyeh Sarvi Beigbaghlou, Robert S. Yafele, Marcin Kalek
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-69wcr
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of precursor structure on the formation of tungsten oxide polymorphs

, Authors: Mikkel Juelsholt, Olivia Aalling-Frederiksen, Troels Lindahl Christiansen, Emil T. S. Kjær, Niels Lefeld, Andrea Kirsch, Kirsten M. Ø. Jensen
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-vtfq8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Redox Transmetalation Step in Nickel-Catalyzed C-C Coupling Reactions

, Authors: Kerry-Ann Green, Aaron Honeycutt, Sierra Ciccone, Kyle Grice, Andreas Baur, Jeffrey Petersen, Jessica Hoover
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2022-sbqrt-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Digitisation of a Modular Plug and Play 3D Printed Continuous Flow System for Chemical Synthesis

, Authors: Mireia Montaner, Matthew Penny, Stephen Hilton
Version undefined posted 11 April 2023
Posted
Apr 11, 2023
10.26434/chemrxiv-2023-cv5f0
 
Subject: Chemistry
,
Working Paper
, Title:

Advancements in the synthesis of diaryliodonium salts: Updated protocols

, Authors: Erika Linde, Shobhan Mondal, Berit Olofsson
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-q88sc
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative benchtop 19F NMR spectroscopy: a robust and economical tool for rapid reaction optimization

, Authors: Gregor Heinrich, Mykhailo Kondratiuk, Lukas J. Gooßen, Mario P. Wiesenfeldt
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-1w0rs
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis of nanopore data: classification strategies for an unbiased curation of single-molecule events from DNA nanostructures

, Authors: Zachary Roelen, Kyle Briggs, Vincent Tabard-Cossa
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-09wgb
 
Subject: Chemistry
,
Working Paper
, Title:

Cobalt(III)-Catalyzed Free Amine Directed Site-Selective Allylation in 2-Aminobiaryls with Vinyl Cyclopropanes

, Authors: Deepan Chowdhury, Suman Ghosh, K.S.S.V. Prasad Reddy, Sharma S.R.K.C. Yamijala, Mahiuddin Baidya
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-82fqp
 
Subject: Chemistry
,
Working Paper
, Title:

SPSiPs, A New Class of Biphosphine Ligands Based on SPSiOL with a Large Dihedral Angle

, Authors: Hao Li, Peng-Gang Zhao, Cai-Yun Wang, Ruo-Yu Zhang, Jian-Jun Li, Yichen Wu, Peng Wang
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-8k18l
 
Subject: Chemistry
,
Working Paper
, Title:

Click'n lock: Rapid exchange between asymmetric tetrazines and thiols enables reversible, chemoselective clicking and on demand locking

, Authors: Katerina Gavriel, Dustin van Doeselaar, Daniëlle Geers, Kevin Neumann
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-q6vlj
 
Subject: Chemistry
,
Working Paper
, Title:

Merging Boron and Carbonyl based MR-TADF Emitter Designs to Achieve High Performance Deep Blue OLEDs

, Authors: Sen Wu, Le Zhang, Jingxiang Wang, Abhishek Kumar Gupta, Ifor Samuel, Eli Zysman-Colman
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-gbtx9
 
Subject: Chemistry
,
Working Paper
, Title:

Design Principles for Grain Boundaries in Solid-State Lithium-Ion Conductors

, Authors: James Dawson, James Quirk
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2022-0jghq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Light-mediated synthesis of aliphatic anhydrides by Cu-catalyzed carbonylation of alkyl halides

, Authors: Pinku Tung, Neal Mankad
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2022-gthrk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrical detection of RNA cancer biomarkers at the single-molecule level

, Authors: Keshani Pattiya Arachchillage, Subrata Chandra, Ajoke Williams, Patrick Piscitelli, Jennifer Pham, Aderlyn Castillo, Lily Florence, Srijith Rangan, Juan Artes Vivancos
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-67pvr
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking chloride sensing in the red at physiological pH with a fluorescent rhodopsin-based host

, Authors: Shelby Phelps, Jasmine Tutol, Deeya Advani, Weicheng Peng, Sheel Dodani
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-3d7w3
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic, Sulfur-Free Chain Transfer Agents that Alter the Mechanical Properties of Crosslinked Photopolymers

, Authors: Nicholas Bagnall, Meredith Jones, G. Cole Jernigan, Chase Routt, Lisa Dar, Brady Worrell
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-tq12l
 
Subject: Chemistry
,
Working Paper
, Title:

Antioxidant Activity via Free Radical Scavenging of Pitavastatin and Its Hydroxylated Metabolites. A Quantum Chemical Attempt Aiming to Assist Drug Development

, Authors: Ioan Baldea
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-g5kwc
 
Subject: Chemistry
,
Working Paper
, Title:

Radium Revisited: Revitalization of the Coordination Chemistry of Nature’s Largest 2+ Cation

, Authors: Zhuanling Bai, Jacob Brannon, Cristian Celis-Barros, Nicholas Beck, Joseph Sperling, Brian Rotermund, Daniela Martinez, Hannah Wineinger, Thomas Albrecht-Schönzart
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-dpcc5
 
Subject: Chemistry
,
Review
, Title:

Recent advances in Carbon Nanotube Based Field-Effect Transistor Biosensors for Established Biomarkers for the Diagnosis of Alzheimer's Disease

, Authors: Yu Shen
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-d9d92
 
Subject: Sociology
,
Working Paper
, Title:

S M Nazmuz Sakib's Toxic Comparative Theory: An Analysis of Sakibphobia

, Authors: S M Nazmuz Sakib
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.33774/coe-2023-r069s
 
Subject: Chemistry
,
Working Paper
, Title:

Bicyclic Bioisosteres of Piperidine: Version 2.0

, Authors: Alexander Kirichok, Hennadii Tkachuk, Yevhenii Kozyriev, Oleh Shablykin, Oleksandr Datsenko, Dmitry Granat, Tetyana Yegorova, Yuliya Bas, Vitalii Semirenko, Iryna Pishel, Vladimir Kubyshkin, Dmytro Lesyk, Oleksii Klymenko-Ulianov, Pavel Mykhailiuk
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-rpjld
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Natural Product Optimization Strategy for inhibitors against the cell wall synthesis enzyme MraY, a promising antibacterial target

, Authors: Kazuki Yamamoto, Toyotaka Sato, Aili Hao, Kenta Asao, Rintaro Kaguchi, Shintaro Kusaka, Ruddarraju Radhakrishnam Raju, Daichi Kazamori, Kiki Seo, Satoshi Takahashi, Motohiro Horiuchi, Shin-ichi Yokota, Seok-Yong Lee, Satochi Ichikawa
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-2w41l
 
Subject: Chemistry
,
Working Paper
, Title:

Adaptive Language Model Training for Molecular Design

, Authors: Andrew Blanchard, Debsindhu Bhowmik, Zachary Fox, John Gounley, Jens Glaser, Belinda S Akpa, Stephan Irle
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2022-lh8kl-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Catalyst or Catalyst System? Nonlinear Behaviour and the Limits of Mechanistic Understanding in Proline-Based Asymmetric Catalysis.

, Authors: Thibault THIERRY, Yannick GEIGER, Stephane BELLEMIN-LAPONNAZ
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-qgm7t
 
Subject: Chemistry
,
Working Paper
, Title:

Functional Dithienopyrazines – Structure-Property Relationships

, Authors: Peter Baeuerle, Elena Mena-Osteritz, Franziska Kreuzer
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-bx28l
 
Subject: Chemistry
,
Working Paper
, Title:

Angstrom-scale interface modification extensively tunes thermodynamic ordering of strongly correlated protons in ice

, Authors: Norihiro Aiga, Toshiki Sugimoto
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-psqq6
 
Subject: Chemistry
,
Working Paper
, Title:

Unexpected Electrophiles in the Atmosphere - Anhydride Nucleophile Reactions and Uptake to Biomass Burning Emissions

, Authors: Max Loebel Roson, Maya Abou-Ghanem, Erica Kim, Shuang Wu, Dylan Long, Sarah Styler, Ran Zhao
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-tfxr4
 
Subject: Chemistry
,
Review
, Title:

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

, Authors: Giovanni Li Manni, Ignacio Fernández Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J. Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I. Bokarev, Ria Broer, Roberto Cacciari, Paul B. Calio, Rebecca K. Carlson, Rafael Carvalho Couto, Luis Cerdán, Liviu F. Chibotaru, Nicolas F. Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E. Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G. Delcey, Luca De Vico, Werner Dobrautz, Sijia S. Dong, Rulin Feng, Nicolas Ferré, Michael Filatov(Gulak), Laura Gagliardi, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R. Hennefarth, Matthew R. Hermes, Chad E. Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S. Kaliakin, Marjan Khamesian, Daniel S. King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst D. Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C. D. Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S. Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M. Sand, Igor Schapiro, Thais R. Scott, Javier Segarra-Martí, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K. Staab, Tjerk P. Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G. Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David Yarkony, Chen Zhou, J. Patrick Zobel, Roland Lindh
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-b7f0j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A simple yet stable molybdenum(0) carbonyl complex for upconver-sion and photoredox catalysis

, Authors: Winald R. Kitzmann, Maria-Sophie Bertrams, Pit Boden, Alexander C. Fischer, René Klauer, Johannes Sutter, Robert Naumann, Christoph Förster, Gereon Niedner-Schatteburg, Nicolas H. Bings, Johannes Hunger, Christoph Kerzig, Katja Heinze
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-f28lg
 
Subject: Chemistry
,
Working Paper
, Title:

Planar Chiral Copper(I) Complexes Realize Efficient Circularly Polarized Electroluminescence

, Authors: Ao Ying, Lisi Zhan, Yao Tan, Xiaosong Cao, Chuluo Yang, Shaolong Gong
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-z9jpp
 
Subject: Chemistry
,
Working Paper
, Title:

Saddles as rotational locks within shape-assisted self-assembled nanosheets

, Authors: Joseph F. Woods, Lucía Gallego, Amira Maisch, Dominik Renggli, Corrado Cuocci, Olivier Blacque, Gunther Steinfeld, Andres Kaech, Bernhard Spingler, Andreas Vargas Jentzsch, Michel Rickhaus
Version undefined posted 12 April 2023
Posted
Apr 12, 2023
10.26434/chemrxiv-2023-whjkw
 
Subject: Chemistry
,
Review
, Title:

Basic principle from electrospray ionization to soft ionization mass spectrometry and development of ion source:part Ⅰ

, Authors: jiehong luo
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-tdfnq
 
Subject: Chemistry
,
Working Paper
, Title:

Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules

, Authors: Jun Xia, Chengshuai Zhao, Bozhen Hu, Zhangyang Gao, Cheng Tan, Yue Liu, Siyuan Li, Stan Z. Li
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-dngg4
 
Subject: Chemistry
,
Working Paper
, Title:

One-Center Corrected Two-Electron Integrals in Inner Projection based Integral Evaluation

, Authors: Danjo De Chavez, Roland Lindh
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-mw5ht-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoscale porosity in microellipsoids cloaks interparticle capillary attraction at fluid interfaces

, Authors: Samuel Trevenen, Md Anisur Rahman, Heather S.C. Hamilton, Alexander E. Ribbe, Laura C. Bradley, Peter J. Beltramo
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2022-0g593-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Dissociation of Polar Molecules in a Confined Infrared Vacuum

, Authors: Johan F. Triana, Felipe Herrera
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-x82w3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying interfacial energetics of 2D semiconductor electrodes using in situ spectroelectrochemistry and many-body theory

, Authors: Rafael Almaraz, Thomas Sayer, Justin Toole, Rachelle Austin, Yusef Farah, Nicholas Trainor, Joan M. Redwing, Amber Krummel, Andrés Montoya-Castillo, Justin Sambur
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-kl1cv
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer Architecture Alters Tissue Distribution and Enhances Cytotoxicity Profiles in Orthotopic Models of Triple Negative Breast Cancers

, Authors: Cara Moloney, Fatemeh Mehradnia, Robert J Cavanagh, Asmaa Ibrahim, Amanda K Pearce, Alison Ritchie, Philip Clarke, Ruman Rahman, Anna Grabowska, Cameron Alexander
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-8f0lk
 
Subject: Chemistry
,
Working Paper
, Title:

Stereoretentive enantioconvergent reactions

, Authors: Steven H. Bennett, Jacob S. Bestwick, Vera P. Demertzidou, David J. Jones, Helen E. Jones, François Richard, Joshua A. Homer, Rosie Street-Jeakings, Andrew F. Tiberia, Andrew L. Lawrence
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-07jvx
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding Orbitrap collision cross section measurements to native protein applications through kinetic energy and signal decay analysis

, Authors: Virginia K. James, James D. Sanders, Kyle L Fort, Konstantin Aizikov, Dmitry Grinfeld, Alexander Makarov, Jennifer S. Brodbelt
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2022-xq73s-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetometer-detected Nuclear Magnetic Resonance of Photochemically Hyperpolarized Molecules

, Authors: Liubov Chuchkova, Sven Bodenstedt, Román Picazo-Frutos, James Eills, Oleg Tretiak, Yinan Hu, Danila Barskiy, Jacopo de Santis, Michael Tayler, Dmitry Budker, Kirill Sheberstov
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-zhcvp
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing the nucleophilicity of benzylic boronates enables the divergent formation of C−C and C−X bonds

, Authors: Liuzhou Gao, Xinyi Liang, Linke He, Guoao Li, Shengda Chen, Jia Cao, Jing Ma, Guoqiang Wang, Shuhua Li
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-mfjth
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back

, Authors: Brent Koscher, Richard B. Canty, Matthew A. McDonald, Kevin P. Greenman, Charles J. McGill, Camille L. Bilodeau, Wengong Jin, Haoyang Wu, Florence H. Vermeire, Brooke Jin, Travis Hart, Timothy Kulesza, Shih-Cheng Li, Tommi S. Jaakkola, Regina Barzilay, Rafael Gómez-Bombarelli, William H. Green, Klavs F Jensen
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-r7b01
 
Subject: Chemistry
,
Working Paper
, Title:

Towards a Realistic Surface State of Ru in Aqueous and Gaseous Environments

, Authors: Muhammad Akif Ramzan, Raphaël Wischert, Stephan N. Steinmann, Carine Michel
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-1q64v
 
Subject: Chemistry
,
Working Paper
, Title:

Correlation of binding site properties with chemistries used for generation of ultra-large virtual libraries.

, Authors: Robert Song, Marc Nicklaus, Nadya Tarasova
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-hs7ql
 
Subject: Chemistry
,
Working Paper
, Title:

Multimodal investigation of electronic transport in PTMA: Impact on organic radical battery performance

, Authors: Davis Thomas Daniel, Steffen Oevermann, Souvik Mitra, Katharina Rudolf, Andreas Heuer, Rüdiger-A. Eichel, Martin Winter, Diddo Diddens, Gunther Brunklaus, Josef Granwehr
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-jnq5d
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Prototyping of Lab-scale Electrolysis Cells Using Stereolithography and Electroless Plating

, Authors: Gage Wright, Benjamin Charnay, Joshua Rabinowitz, Ruperto Mariano, Matthew Kanan
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-p200m
 
Subject: Chemistry
,
Working Paper
, Title:

The Structure and Bonding of a Radium Coordination Compound in the Solid-State

, Authors: Frankie White, Nikki Thiele, Megan Simms, Samantha Cary
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-lx8c1
 
Subject: Chemistry
,
Working Paper
, Title:

Rational design and development of selective BRD7 bromodomain inhibitors and their activity in prostate cancer

, Authors: Sandra Ordonez, Chad Maschinot, Sijie Wang, Surbhi Sood, Brayden Strohmier, Alexander McQuade, Brian Smith, Emily Dykhuizen
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-phgwf
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the effects of three different antimicrobial agents on E. coli biofilms by using Soft-Probe Scanning Electrochemical Microscopy

, Authors: Sorour Darvishi, Hubert Girault
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-5qkkp
 
Subject: Chemistry
,
Working Paper
, Title:

Analytic First-Order Derivatives of CASPT2 with IPEA shift

, Authors: Yoshio Nishimoto
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-gl5w4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A2Bn-1PbnI3n+1 (A = BA, PEA; B = MA, n = 1, 2): Engineering Quantum-well Crystals for High Density and Fast Scintillators

, Authors: Md Abdul Kuddus-Sheikh, Dominik Kowal, Muhammad Haris Mahyuddin, Roberto Cala, Etiennette Auffray, Marcin Witkowski, Michal Makowski, Winicjusz Drozdowski, Hong Wang, Christophe Dujardin, Daniele Cortecchia, Muhammad Danang Birowosuto
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-40b5z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidative decarboxylation of fatty acids to terminal alkenes by a membrane-bound metalloenzyme, UndB

, Authors: Tabish Iqbal, Subhashini Murugan, Kalpana Rajendran, Jagpreet Singh Sidhu, Debasis Das
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-d9f4c
 
Subject: Chemistry
,
Review
, Title:

Limonene as natural product extraction solvent

, Authors: Mario Pagliaro, Anne-Sylvie Fabiano-Tixier, Rosaria Ciriminna
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-xm1h3
 
Subject: Chemistry
,
Working Paper
, Title:

Peptide-EBXs: Enabling Peptide Functionalization and Macrocyclization

, Authors: Xingyu Liu, Xinjian Ji, Christian Heinis, Jerome Waser
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-jskfd
 
Subject: Chemistry
,
Working Paper
, Title:

Room-temperature quantum coherence of entangled multiexcitons in a metal-organic framework

, Authors: Akio Yamauchi, Kentaro Tanaka, Masaaki Fuki, Saiya Fujiwara, Nobuo Kimizuka, Tomohiro Ryu, Masaki Saigo, Ken Onda, Yasuhiro Kobori, Kiyoshi Miyata, Nobuhiro Yanai
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-nz6rz
 
Subject: Chemistry
,
Working Paper
, Title:

Thermally Ultra-Robust S = ½ Tetrazolinyl Radicals: Synthesis, Electronic Structure, Magnetism, and Nanoneedle Assemblies on Silicon Surface.

, Authors: Zhimin Yang, Maren Pink, Ewa Malgorzata Nowik-Boltyk, Shutian Lu, Tobias Junghoefer, Suchada Rajca, Stefan Stoll, Maria Benedetta Casu, Andrzej Rajca
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.26434/chemrxiv-2023-7njqc
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Does the Criticism of Constitutional Experts Shape Public Attitude toward a Government’s Security Policy? - Reconsidering the Image of “Influential Constitutional Legal Scholars” in Japan

, Authors: Tatsuya Iseki, Sou Shinomoto
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.33774/apsa-2023-bz2m4-v3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Governing the underworld: How organised crime governs other criminals

, Authors: Reynell Badillo-Sarmiento, Luis Fernando Trejos-Rosero
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.33774/apsa-2023-f80pb
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Sustaining criminal governance with horror: The use of extra-lethal violence to regulate community life

, Authors: Reynell Badillo-Sarmiento, Luis Fernando Trejos-Rosero
Version undefined posted 13 April 2023
Posted
Apr 13, 2023
10.33774/apsa-2023-msc2m
 
Subject: Chemistry
,
Working Paper
, Title:

Facet-Dependent Formation and Adhesion of Au Oxide and Nanoporous Au on Poly-Oriented Au Single Crystals

, Authors: Evelyn Artmann, Tobias Schmider, Timo Jacob, Albert K. Engstfeld
Version undefined posted 14 April 2023
Posted
Apr 14, 2023
10.26434/chemrxiv-2023-nf7v3
 
Subject: Chemistry
,
Working Paper
, Title:

Teaching Old Presumptive Tests New Digital Tricks with Computer Vision for Forensic Applications

, Authors: Nathalie Bugeja, Cameron Oliver, Nicole McGrath, Jake McGuire, Chunhui Yan, Felicity Carlysle-Davies, Marc Reid
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-04d1g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

H2-Mediated Copper Catalyzed C–C Coupling Reactions – Selective Formation of Skipped Dienes

, Authors: Lea Brechmann, Teichert Johannes
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-3w2cn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Olefin Transpositions Facilitated by Ruthenium N,N,N-Pincer Complexes

, Authors: Alex Davies, Kara Greene, Anthony Allen, Corey Stephenson, Nathaniel Szymczak
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2022-3c5vp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Magnetic Coupling and Spin-Polarization Energy in Triangulene Analogues

, Authors: Hongde Yu, Jianwei Sun, Thomas Heine
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-fcl8s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Insights into the Inhibition Mechanism of Xanthine Oxidoreductase by Oxipurinol

, Authors: Yazdan Maghsoud, Chao Dong, G. Andrés Cisneros
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-bbq0j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Time-frequency signatures of electronic coherence of colloidal CdSe quantum dot dimer assemblies probed at room temperature by 2-dimensional electronic spectroscopy

, Authors: James Hamilton, Edoardo Amarotti, Carlo Dibenedetto, Marinella Striccoli, Raphael Levine, Elisabetta Collini, Francoise Remacle
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-sc931-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Top-Down Analysis of Supercharged Proteins Using Collision-, Electron-, and Photon-Based Activation Methods

, Authors: Kyle Juetten, Jennifer Brodbelt
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-9cx05
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure

, Authors: Mario Motta, Kevin J. Sung, K. Birgitta Whaley, Martin Head-Gordon, James Shee
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-d1b3l
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the frontiers of chemistry with a general reactive machine learning potential

, Authors: SHUHAO ZHANG, Małgorzata Makoś, Ryan Jadrich, Elfi Kraka, Kipton Barros, Benjamin Nebgen, Sergei Tretiak, Olexandr Isayev, Nicholas Lubbers, Richard Messerly, Justin Smith
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2022-15ct6-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Mannich base PIP-199 is a chemically unstable pan-assay interference compound

, Authors: Xinyi Wu, Haritha Sudhakar, Lisa Alcock, Yu Heng Lau
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-60glz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Angstrom-confined electrochemical synthesis of sub-unit cell non van der Waals 2D metal oxides

, Authors: Dali Ji, Yunah Lee, Yuta Nishina, Kazuhide Kamiya, Rahman Daiyan, Xinyue Wen, Dewei Chu, Masamichi Yoshimura, Priyank Kumar, Daria Andreeva, Kostya Novoselov, Gwan-Hyoung Lee, Rakesh Joshi, Tobias Foller
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2022-1q6gb-v4
 
Subject: Chemistry
,
Working Paper
, Title:

On-Surface Synthesis of a Doubly Anti-Aromatic Carbon Allotrope: Cyclo[16]carbon

, Authors: Yueze Gao, Florian Albrecht, Igor Rončević, Isaac Ettedgui, Paramveer Kumar, Lorel Scriven, Kirsten Christensen, Shantanu Mishra, Luca Righetti, Max Rossmannek, Ivano Tavernelli, Harry Anderson, Leo Gross
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-w124b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A multiconfigurational wavefunction implementation of the Frenkel exciton model for molecular aggregates

, Authors: Andy Kaiser, Razan Daoud, Francesco Aquilante, Oliver Kühn, Luca De Vico, Sergey Bokarev
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-6gjdn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On the non-bonding valence band and the electronic properties of poly(triazine imide), a graphitic carbon nitride

, Authors: David Burmeister, Michael Janus Bojdys, Alberto Eljarrat, Michele Guerrini, Eva Röck, Julian Plaickner, Christoph T. Koch, Natalie Banerji, Caterina Cocchi, Emil List-Kratochvil
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-dt7vk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Flexible Topology: A new method for dynamic drug design

, Authors: Nazanin Donyapour, Fatemeh Fathi Niazi, Nicole Roussey, Samik Bose, Alex Dickson
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2022-g7src-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Rhodium(I)-Catalyzed Annulative Cleavage of Bicy-clo[1.1.0]butyl Dihydroquinolines and Dihydropyridines

, Authors: Matteo Borgini, Peter Wipf
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-rnqhm
 
Subject: Chemistry
,
Working Paper
, Title:

Correlation evaluation of ion adsorption-based rare earth leaching performance based on zeta potential drop leaching

, Authors: Xunhe Li, Yongxiu Li, Xuezhen Zhou, Huajiao Zhou, Kang Wang
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-tf3r8
 
Subject: Chemistry
,
Working Paper
, Title:

Thermochromic behavior of polydiacetylene nanomaterials driven by charged peptide amphiphiles

, Authors: Sujeung Lim, Dmitri Leo Cordova, Alicia Robang, Yuyao Kuang, Anant Paravastu, Maxx Arguilla, Herdeline Ann Ardoña
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-4mh7l
 
Subject: Chemistry
,
Working Paper
, Title:

Two algorithms for excited-states quantum solvers: Theory and application to EOM-UCCSD

, Authors: Yongbin Kim, Anna Krylov
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-fml2k
 
Subject: Chemistry
,
Working Paper
, Title:

Building Block-Based Binding Predictions for DNA-Encoded Libraries

, Authors: Chris Zhang, Mary Pitman, Anjali Dixit, Sumudu Leelananda, Henri Palacci, Meghan Lawler, Svetlana Belyanskaya, LaShadric Grady, Joe Franklin, Nicolas Tilmans, David Mobley
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-pq197
 
Subject: Chemistry
,
Working Paper
, Title:

MHAT-initiated redox radical cyclization of alkenylsilane enables concise syntheses of (–)-habiterpenol and (+)-2,3-epi-habiterpenol

, Authors: Haruki Taguchi, Mayuko Kawaguchi, Tohru Nagamitsu, Masaki Ohtawa
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-c4w8x
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing the Performance of Docking, FEP, and MM/GBSA Methods on a Series of KLK6 Inhibitors

, Authors: Wemenes José Lima Silva, Renato Ferreira de Freitas
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-vl26d
 
Subject: Chemistry
,
Working Paper
, Title:

Same Day Access to Proteins Enabled by Folding Selections

, Authors: Alex J. Callahan, Aurélie Rondon, Lia Lozano Salazar, Satish Gandhesiri, Jacob Rodriguez, Andrei Loas, Bradley Pentelute
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-b3m9b
 
Subject: Chemistry
,
Working Paper
, Title:

cis-Selective Acyclic Diene Metathesis Polymerization of α, ω-Dienes

, Authors: Samuel J. Kempel, Ting-Wei Hsu, Jake L. Nicholson, Quentin Michaudel
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-x02qw
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Insights into the Interaction of Water with the UiO-66 Metal-Organic Framework and Its Functionalized Derivatives

, Authors: Jierui Zhang, Francesco Paesani, Martina Lessio
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-rk8xp
 
Subject: Chemistry
,
Working Paper
, Title:

Excited State Deactivation via Solvent to Chromophore Proton Transfer in Isolated 1:1 Molecular Complex: Experimental Validation by Measuring the Energy Barrier and Kinetic Isotope Effect

, Authors: Saurabh Khodia, Ramesh Jarupula, Simran Baweja, Md Shabeeb, Bhavika Kalal, Surajit Maity
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-fj1vv
 
Subject: Chemistry
,
Working Paper
, Title:

Excited-state singlet-triplet inversion in hexagonal aromatic and heteroaromatic compounds

, Authors: Andrzej L. Sobolewski, Wolfgang Domcke
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-chzq3
 
Subject: Chemistry
,
Working Paper
, Title:

Structuring liquids through solvent-assisted interfacial association of oppositely charged polyelectrolytes and amphiphiles

, Authors: Robert Meszaros, Monika Bak, Istvan Szalai, Imre Varga, Gergo Gyulai, Judith Mihály
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-d4lvc
 
Subject: Chemistry
,
Working Paper
, Title:

Structure elucidation of olanzapine molecular salts by combining mechanochemistry and MicroED

, Authors: Diptajyoti Gogoi, Toshiyuki Sasaki, Takanori Nakane, Akihiro Kawamoto, Hironobu Hojo, Genji Kurisu, Ranjit Thakuria
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-l0fz9
 
Subject: Chemistry
,
Working Paper
, Title:

2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water

, Authors: Iumzhana Bolotova, Alexander Ustyuzhanin, Ekaterina Sergeeva, Anna Faizdrakhmanova, Yu Hai, Andrey Stepanov, Igor Ushakov, Konstantin Lyssenko, Lei You, Andrey Lvov
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-l3sjk
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing water sensing via aggregation-induced emission (AIE) and solvatofluorochromic studies using two new dansyl derivatives containing a disulfide bound: Pollutant metal ions detection and preparation of water-soluble fluorescent polymeric particles

, Authors: Frederico Duarte, Georgi Dobrikov, Atanas Kurutos, Hugo M Santos, Javier Fernández-Lodeiro, Jose Luis Capelo-Martínez, Elisabete Oliveira, Carlos Lodeiro
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-rpdcg
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen production by a fully de novo enzyme

, Authors: Sigrid Berglund, Clara Bassy, Ibrahim Kaya, Per Andrén, Vitalii Shtender, Ann Magnuson, Starla Glover
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-07bt9
 
Subject: Chemistry
,
Working Paper
, Title:

Development of an Affinity-Based Probe to profile endogenous Human Adenosine A3 Receptor Expression

, Authors: Bert Beerkens, Inge Snijders, Joep Snoeck, Rongfang Liu, Anton Tool, Sylvia Le Dévédec, Willem Jespers, Taco Kuijpers, Gerard van Westen, Laura Heitman, Adriaan IJzerman, Daan van der Es
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-6g59z
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Geometries and Vibrational Contributions to Reaction Thermochemistry Are Surprisingly Insensitive to Choice of Basis Set

, Authors: Xinlan He, Minzhi Wang, Wanutcha Lorpaiboon, Haedam Mun, Mackenzie Taylor, Junming Ho
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-r0phz
 
Subject: Chemistry
,
Working Paper
, Title:

A Hybrid Graphene-Reinforced Copper Matrix/Multilayer Composite Coating System for High-Load Solid Lubrication

, Authors: Nicky Savjani, Vicente Orts Mercadillo, Su Zhao, Lorenzo Fabbri, Erik Johansson, Emanuele Piciollo, Gabrielle Bartolini, Francesco Bertocchi, Anna Andersson, Mark Bissett, Ian Kinloch
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-q0mx5
 
Subject: Chemistry
,
Working Paper
, Title:

Design Rules for Two-Dimensional Organic Semiconductor-Incorporated Perovskites (OSiP) Gleaned from Thousands of Simulated Structures

, Authors: Zih-Yu Lin, Jiaonan Sun, Stephen Shiring, Letian Dou, Brett Savoie
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.26434/chemrxiv-2023-fzj5t
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Review and comparison of US, EU, and UK regulations on cyber risk/security of the current Blockchain Technologies - viewpoint from 2023

, Authors: Petar Radanliev
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.33774/apsa-2023-frpd6-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Beyond the Societal: the Actoral Multiplicity and Explaining World Politics

, Authors: Aleksandra Spalińska
Version undefined posted 17 April 2023
Posted
Apr 17, 2023
10.33774/apsa-2023-gxx1s
 
Subject: Chemistry
,
Review
, Title:

Paper-Based Electrical Sensors for Aqueous Heavy Metal Ion Detections

, Authors: Su Sun, Jing Chen, Wei Wong
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-qk8zn
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Coherence by Coupling Spins through a Delocalized π-System: Vanadyl Porphyrin Dimers

, Authors: Iago Pozo, Zhijie Huang, Federico Lombardi, Dimitris Alexandropoulos, Fanmiao Kong, Michael Slota, Jie-Ren Deng, Wojciech Stawski, Peter Horton, Simon Coles, William Myers, Lapo Bogani, Harry Anderson
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2022-1v5b4-v2
 
Subject: Statistics and Probability
,
Presentation
, Title:

Statistical Analysis in Research

, Authors: Nikolaos Tzenios
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.33774/coe-2023-k71h2
 
Subject: Mathematics
,
Working Paper
, Title:

Factorial Theorem for Computation of Factorials to Positive Real Numbers

, Authors: Chinnaraji Annamalai
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.33774/coe-2023-7p472-v2
 
Subject: Economics
,
Presentation
, Title:

Sustainable finance and our modes of distribution

, Authors: Irene Sotiropoulou
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.33774/coe-2023-fz9k9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Advantages and Limitations of Hydrogen Peroxide for Direct Oxidation of Methane to Methanol at Mono-Copper Active Sites in Cu-Exchanged Zeolites

, Authors: Lu Cheng, Xuning Chen, P. Hu, Xiaoming Cao
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2022-scm3x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Highly Functionalized Diarylamines through an N-, C-Cascade Reaction via Ammonium Salts

, Authors: Erika Linde, Berit Olofsson
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-5pzhz
 
Subject: Chemistry
,
Working Paper
, Title:

A step towards correct interpretation of XPS results in metal oxides: a case study aided by first-principles method in ZnO

, Authors: Jin Li, Michael Nolan, Christophe Detavernier
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-thnhv
 
Subject: Chemistry
,
Working Paper
, Title:

Construction of order-independent molecular fragments space with vector quantised graph autoencoder

, Authors: Tagir Akhmetshin, Arkadii Lin, Timur Madzhidov, Alexandre Varnek
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-5zmvw
 
Subject: Chemistry
,
Working Paper
, Title:

Surfactant Assisted Exfoliation of Near Infrared Fluorescent Silicate Nanosheets

, Authors: Bjoern Hill, Smitha Abraham, Anas Akhtar, Gabriele Selvaggio, Kristina Tschulik, Sebastian Kruss
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-w3fgw
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model

, Authors: Kristina M. Herman, Anthony J. Stone, Sotiris S. Xantheas
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-ft6wd
 
Subject: Chemistry
,
Working Paper
, Title:

Process Development for the Manufacture of the Antimalarial Amodiaquine Dihydrochloride Dihydrate

, Authors: Mukut Gohain, Modibo S Malefo, Phaladi Kunyane, Chantal Scholtz, Sangeeta Baruah, Andile Zitha, Gerrit van der Klashorst, Hannes Malan
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-5sw1f
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging Field Theory and Ion Pairing in the Theory of Polymer Complex Coacervation

, Authors: Charles Sing, Jian Qin
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-v6x4f
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-Light-Driven C−H Imidation of Arenes and Heteroarenes by a Phosphonium Ylide Organophotoredox Catalyst: Application to C−H Functionalization of Alkenes

, Authors: Yasunori Toda, Toya Kobayashi, Fumiya Hirai, Takamichi Yano, Makoto Oikawa, Kimiya Sukegawa, Masahiro Shimizu, Fuyuki Ito, Hiroyuki Suga
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-f9p7h
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemically Driven Nickel-Catalyzed Carboxylative Buchwald Hartwig Amination: Scope and Mechanism

, Authors: Seifallah Abid, Kevin P. Quirion, Yi Yang, Renhe Tang, Binh Khanh Mai, Peng Liu, Anis Tlili
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-5h6pr
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering methylation effects on S2(pp*) internal conversion in the simplest linear alpha,beta-unsaturated carbonyl

, Authors: Pratip Chakraborty, Rafael Couto, Nanna Holmgaard List
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-7jk3m
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous crystal fluctuation in hydrocarbon polymer–coated monolayer MoS2, MoSe2, WS2, and WSe2 with strong photoluminescence enhancement

, Authors: Takahiro Nakahara, Takashi Kobayashi, Tetsuji Dohi, Takeshi Yoshimura, Norifumi Fujimura, Daisuke Kiriya
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-gxzqw
 
Subject: Chemistry
,
Working Paper
, Title:

Graphene oxide in palladium nanoparticle (GrafeoPlad): a new class of catalytic materials for heterogeneous catalysis

, Authors: Matteo Formenti, Mario Pagliaro, Cristina Della Pina, Rosaria Ciriminna
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-hw1tj
 
Subject: Chemistry
,
Working Paper
, Title:

Improving efficiency and sustainability of chitin bioconversion through a combination of Streptomyces secretomes and mechanical-milling

, Authors: Lal Duhsaki, Saumashish Mukherjee, Jogi Madhuprakash
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-l4jb4
 
Subject: Chemistry
,
Working Paper
, Title:

Development of MoS2 doping strategy for ehanced SO2 detection at room temperature

, Authors: Emilia Piosik, Maciej Jan Szary
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-wj0cs
 
Subject: Chemistry
,
Working Paper
, Title:

Smolyak scheme for solving Schrödinger equation: application to malonaldehyde in full dimensionality

, Authors: David Lauvergnat, André Nauts
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-l7npc
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring CO2 Hydrogenation to Methanol at a CuZn--ZrO2 Interface via DFT Calculation

, Authors: Aku Lempelto, Lars Gell, Toni Kiljunen, Karoliina Honkala
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-h3wdj
 
Subject: Chemistry
,
Working Paper
, Title:

Binding Pocket Response of EDTA Complexes with Alkaline Earth Dications to Stepwise Hydration – Structural Insight from Infrared Spectra

, Authors: Madison M. Foreman, Lane M. Terry, J. Mathias Weber
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-2ckbx
 
Subject: Chemistry
,
Working Paper
, Title:

Improving Deep Neural Network in Predicting Electron Ionization Mass Spectra by Molecular Similarity-wise Sampling

, Authors: Ryohei Yamaguchi, Shigenori Takeda, Masatsugu Yamada, Toshifumi Kakiuchi, Yutaka Imamura
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-54f89
 
Subject: Chemistry
,
Working Paper
, Title:

Role of the energy offset on the charge photogeneration and voltage loss of nonfullerene acceptor-based organic solar cells

, Authors: Yasunari Tamai, Rei Shirouchi, Toshiharu Saito, Kazuki Kohzuki, Shin-ichiro Natsuda
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-z2gg3
 
Subject: Chemistry
,
Review
, Title:

Novel Electrochemical Biosensing Strategy for Antibody IgG detections

, Authors: Amit Patel, Rahul Sharma
Version undefined posted 18 April 2023
Posted
Apr 18, 2023
10.26434/chemrxiv-2023-h1xbs
 
Subject: Chemistry
,
Working Paper
, Title:

Highly reversible Ti/Sn oxide nanocomposite electrodes for lithium ion batteries obtained by oxidation of MAX Ti3AlxSn1-xC2 phases

, Authors: Irene Ostroman, Chiara Ferrara, Marchionna Stefano, Antonio Gentile, Nicholas Vallana, Denis Sheptyakov, Roberto Lorenzi, Riccardo Ruffo
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-16wxl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Interpretable attribution assignment for octanol-water partition coefficient

, Authors: Daisuke Yokogawa, Kayo Suda
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-2lwsh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Targeted Discovery of Cryptic Enediyne Natural Products via FRET-coupled High-Throughput Elicitor Screening

, Authors: Esther Han, Seoung Rak Lee, Craig Townsend, Mohammad Seyedsayamdost
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-xg1g4
 
Subject: Chemistry
,
Working Paper
, Title:

Spatiotemporally tuned colloidal phoretic leap in an altering multivalent interaction field

, Authors: Ekta Shandilya, Bhargav Rallabandi, Subhabrata Maiti
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-r1djt
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling the self-assembly and material properties of β-sheet peptide hydrogels by modulating intermolecular interactions

, Authors: James Warren, Matthew Culbert, Danielle Miles, Steven Maude, Ruth Wilcox, Paul Beales
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-h2ngk
 
Subject: Chemistry
,
Working Paper
, Title:

On the binding energy of atoms in crystals and the speed of sound

, Authors: Aldo Dall'Osso
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2022-hx3d8-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancement of the Solar Water Splitting Efficiency Mediated by Surface Segregation in Ti-doped Hematite Nanorods

, Authors: Stefan Stanescu, Théo Alun, Yannick J. Dappe, Dris Ihiawakrim, Ovidiu Ersen, Dana Stanescu
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-sxnbn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric synthesis of sulfoximines, sulfonimidoyl fluorides, and sulfonimidamides enabled by an enantiopure bifunctional S(VI) reagent

, Authors: Shun Teng, Zachary Shultz, Chuan Shan, Lukasz Wojtas, Justin Lopchuk
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-lfn77
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerating Reaction Network Explorations with Automated Reaction Template Extraction and Application

, Authors: Jan Patrick Unsleber
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-lgnrm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pharmacophore-based ML model to predict ligand selectivity for E3 ligase binders

, Authors: Reagon Karki, Yojana Gadiya, Philip Gribbon, Andrea Zaliani
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-08cj4
 
Subject: Chemistry
,
Working Paper
, Title:

Micro-thermography for imaging ice crystal growth and nucleation inside non-transparent materials

, Authors: Martin Zalazar, Fredy Zypman, Ran Drori
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-h64j8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

BF3-Catalyzed Intramolecular Fluorocarbamoylation of Alkynes via Halide Recycling

, Authors: E. Ali McKnight, Ramon Arora, Ekadashi Pradhan, Yuriko H. Fujisato, Ayonitemi J. Ajayi, Mark Lautens, Tao Zeng, Christine M. Le
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2022-464nx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cu(II)-Catalyzed Aerobic Synthesis of Sulfinamidines from Sulfenamides

, Authors: Xunbo Lu, Guoling Huang, Jianlin Ye, Yuetong Chen, Minxi Tan
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-31393-v2
 
Subject: Chemistry
,
Working Paper
, Title:

DNA Origami Characterized via Solid-State Nanopore: Insights into Nanostructure Dimensions, Rigidity and Yield

, Authors: Liqun He, Martin Charron, Philipp Karau, Kyle Briggs, Jonathan Adams, Hendrick de Haan, Vincent Tabard-Cossa
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-s0vmn
 
Subject: Chemistry
,
Working Paper
, Title:

The Materials Experiment Knowledge Graph

, Authors: Michael Statt, Brian Rohr, Dan Guevarra, Ja'Nya Breeden, Santosh Suram, John Gregoire
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-md55t
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Phosphinate-Containing Rhodamines for Turn-On Photoacoustic Imaging Applications

, Authors: Frederik Brøndsted, Yuan Fang, Xinqi Zhou, Cliff Stains
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-w8x3c
 
Subject: Chemistry
,
Working Paper
, Title:

Linear Free Energy Relationships and Transition State Analysis of CO2 Reduction Catalysts Bearing Second Coordination Spheres with Tunable Acidity

, Authors: Kaeden Teindl, Brian Patrick, Eva Nichols
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-wf0g1
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering Complexity in Pd–Catalyzed Cross-Couplings

, Authors: George Clarke, Lyndsay Ledingham, James Firth, Christopher Horbaczewskyj, Richard Bourne, Joshua Bray, Poppy Martin, Rebecca Campbell, Alex Pagett, Duncan MacQuarrie, John Slattery, Jason Lynam, Adrian Whitwood, Jessica Milani, Sam Hart, Julie Wilson, Ian James Stewart Fairlamb
Version undefined posted 19 April 2023
Posted
Apr 19, 2023
10.26434/chemrxiv-2023-096lm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

High pressure-driven batch distillation optimal control for methyl acetate-methanol separation

, Authors: Marija Stojkovic
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-t000n
 
Subject: Chemistry
,
Review
, Title:

INSPIRE: Development of an Interdisciplinary Summer Program in Research and Entrepreneurship

, Authors: Abootaleb Sedighi, Tudor Radu, Qirat Ashraf, Balmiki Kumar, Erica Quilates, Rima Rahmatullah, Joshua N. Milstein
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-h05hr
 
Subject: Chemistry
,
Working Paper
, Title:

High-performing All-solid-state Sodium-ion Batteries Enabled by the Presodiation of Hard Carbon

, Authors: Jin An Sam Oh, Grayson Deysher, Phillip Ridley, Yu-Ting Chen, Diyi Cheng, Ashley Cronk, So-Yeon Ham, Darren H. S. Tan, Jihyun Jang, Long Hoang Bao Nguyen, Shirley Y. Meng
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-sdj66
 
Subject: Chemistry
,
Working Paper
, Title:

Comparison of click-capable oxaliplatin and cisplatin derivatives to better understand Pt(II)-induced nucleolar stress

, Authors: Andres Guerrero, Paul O'Dowd, Hannah Pigg, Katelyn Alley, Darren Griffith, Victoria DeRose
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-rfc7q
 
Subject: Chemistry
,
Working Paper
, Title:

Zwitterionic Carbazole Ligands Enhance the Stability and Performance of Perovskite Nanocrystals in Light Emitting Diodes

, Authors: Christopher Kirsch, Tassilo Naujoks, Philipp Haizmann, Philipp Frech, Heiko Peisert, Thomas Chassé, Wolfgang Brütting, Marcus Scheele
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-wjd4r
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Patterns for Polymerization of Interlocked Molecular Cages

, Authors: Zhenghong Chen, Weihao Wang, Shaodong Zhang
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-brx8k
 
Subject: Economics
,
Working Paper
, Title:

International Trade and Global Value Chain: An Overview

, Authors: Supriyo Mondal
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.33774/coe-2023-b6vkh
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular dynamics studies of Ho(III) aqua-tris(dibenzoylmethane) complex: Role of water dynamics

, Authors: Takahiro Ohkubo, Nao Komiyama, Hyuma Masu, Keiki Kishikawa, Michinari Kohri
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-lfz9p
 
Subject: Chemistry
,
Working Paper
, Title:

Long Aliphatic Chain Derivatives of Trigonal Lanthanide Complexes

, Authors: Yiwei Zhou, Christian Dirk Buch, Steen Hansgaard Hansen, Stergios Piligkos
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2022-x48n6-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Charge transport in perovskite solar cells – a material interface study of transition metal chalcogenides with MAPbX3

, Authors: Sri K M, Aijun Du, Salvy P. Russo
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-52t9s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

High-throughput screening of cationic lipidoids reveals how molecular conformation affects membrane-targeting antimicrobial activity

, Authors: James Jennings, Dunja Ašćerić, Enrico Semeraro, Karl Lohner, Nermina Malanovic, Georg Pabst
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-j1rj6
 
Subject: Chemistry
,
Working Paper
, Title:

A Hammett’s analysis of the Substituent Effect in Functionalized Diketopyrrolopyrrole (DPP) Systems: optoelectronic properties and intramolecular charge transfer effects

, Authors: Gabriel Monteiro-de-Castro, Itamar Borges Jr.
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-0gzts
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate computation of thermodynamic activation parameters in the chorismate mutase reaction from empirical valence bond simulations

, Authors: Ryan S Wilkins, Bjarte A Lund, Geir V Isaksen, Johan Åqvist, Bjørn O Brandsdal
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-gww7q
 
Subject: Chemistry
,
Working Paper
, Title:

Remote Electrostatic Repulsion Trigged by Excited State Antiaromaticity Relief as Origin of Photoacidity in an Organic Dye

, Authors: Leandro Cid Gomes, Domenic Pace, Maria Zubiria-Ulacia, David Casanova, Thanh Vinh Nguyen, Henrik Ottosson
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-wps77
 
Subject: Chemistry
,
Working Paper
, Title:

Ingenious Dual Pulse Photoacoustic Tomography in Drug-Responsive Clinical Imaging Perspectives

, Authors: Diyasha Sen, Arijit Bag
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2022-xmjqd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Plane waves versus correlation-consistent basis sets: A comparison of MP2 non-covalent interaction energies in the complete basis set limit

, Authors: Justin Villard, Martin Peter Bircher, Ursula Rothlisberger
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-203z9
 
Subject: Chemistry
,
Working Paper
, Title:

Switching Lead for Tin in the ‘De-Leadification’ of PbHfO3: Noncubic Structure of SnHfO3

, Authors: Eric Gabilondo, Ryan Newell, Rachel Broughton, Aylin Koldemir, Rainer Pottgen, Jacob Jones, Paul Maggard
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-ct3jj
 
Subject: Chemistry
,
Working Paper
, Title:

Formation of Highly Stable 1,2-Dicarbonyl Organic Radicals from Cyclic (Alkyl)(amino)carbenes

, Authors: Solhye Choe, Hayoung Song, Hyeonjeong Choi, Seunghyuk Yoo, Jaelim Kim, Young Ho Ko, Eunsung Lee
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-ltb8q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Water-based synthesis and nitrate release properties of a ZrIV-based metal-organic framework derived from L-aspartic acid

, Authors: Temitope Olabisi Abodunrin, Matous Kloda, Jan Demel, Marco Taddei
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-z282s
 
Subject: Chemistry
,
Working Paper
, Title:

Total organic halogen (TOX) in treated wastewaters: Method development and comparison with target analysis

, Authors: Chad Verwold, Chris Tremblay, Miriam Patron, Susana Y. Kimura
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-w0j0n
 
Subject: Chemistry
,
Working Paper
, Title:

Sequential bond dissociation energies of (Th(CO)x)+,x = 1-6: Quantum computational studies alternative approach. The capabilities of mass-spectrometry in the determination of molecule geometry

, Authors: Adel iakubov
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-pxb4v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Simple and Cost-Effective Nanopore Fabrication Platform with Microcontroller Technology

, Authors: Y.M. Nuwan D.Y. Bandara, Buddini Karawdeniya, Shankar Dutt, Patrick Kluth, Antonio Tricoli
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-4twl8
 
Subject: Chemistry
,
Working Paper
, Title:

Single Quasi-1D Chains of Sb2Se3 Encapsulated Within Carbon Nanotubes

, Authors: Griffin Milligan, Dmitri Cordova, Zefan Yao, Baixin Tong, Maxx Arguilla
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-4w336
 
Subject: Chemistry
,
Working Paper
, Title:

A Combined Spectroscopic and Computational Investigation on the Solvent-to-Chromophore Excited-State Proton Transfer in the 2,2’-Pyridylbenzimidazole-Methanol Complex

, Authors: surajit maity, Ramesh Jarupula, saurabh khodia, Shabeeb Md.
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-47vhg
 
Subject: Chemistry
,
Working Paper
, Title:

Solvent Mediated Excited State Hydrogen Transfer in 6-Azaindole - S3,4 and 2,6-Diazaindole - S3,4 Clusters (S= H2O, NH3)

, Authors: Simran Baweja, Bhavika Kalal, Prajoy Kumar Mitra, surajit Maity
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-qkmpc
 
Subject: Chemistry
,
Review
, Title:

Advanced microflow manipulation strategy in paper-based microfluidics towards smart analytical chemistry: A concise review

, Authors: Siting Liu, Gong Chen, An Mei, Xunjie Lu, Fuyao Zhao, Zihan Li, Jiayi Wang
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-t422x
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing Utilization Boundaries for Pt-based Catalysts in an Operating PEMFC

, Authors: Michal Ronovský, Lujin Pan, Malte Klingenhof, Isaac Martens, Raphael Chattot, Lukáš Fusek, Peter Kúš, Marta Mirolo, Fabio Dionigi, Harriet Burdett, Jonathan Sharman, Peter Strasser, Alex Martinez Bonastre, Jakub Drnec
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-5l0sj
 
Subject: Chemistry
,
Working Paper
, Title:

Probing achiral benzene-1,3,5-tricarboxamide monomers as inducers of homochirality in supramolecular helical catalysts

, Authors: Huanjun Kong, Yan Li, Ahmad Hammoud, Ludovic Dubreucq, Claire Troufflard, Régina Maruchenko, Laurent Bouteiller, Matthieu Raynal
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-n7m58
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamic Stability and Anion Ordering of Perovskite Oxynitrides

, Authors: Samuel Young, Jiadong Chen, Wenhao Sun, Bryan Goldsmith, Ghanshyam Pilania
Version undefined posted 20 April 2023
Posted
Apr 20, 2023
10.26434/chemrxiv-2023-d2ccz
 
Subject: Chemistry
,
Review
, Title:

Essential and fundamental surgical suture techniques for aseptic rodent surgery

, Authors: Revathi R Nair, Sharabu Lokeswara Achari, Roma Sharma, Peter Thomas, Pragadeeshwara Rao R
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-ch7wt
 
Subject: Chemistry
,
Working Paper
, Title:

Insight into the effect of contact ion pairs on C-H bond activation for the synthesis of Ru(III)-NHC complexes: A combined experimental and computational study

, Authors: Navdeep Srivastava, Nida Shahid, Amrendra K. Singh
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-fld0x
 
Subject: Chemistry
,
Working Paper
, Title:

Lowering the energetic landscape for negative thermal expansion in 3DL-MOFs

, Authors: Lauren Macreadie, Jack Evans, Cameron Kepert, Celia Chen, Helen Maynard-Casely, Samuel Duyker, Ravichandar Babarao
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-d1s8w
 
Subject: Chemistry
,
Review
, Title:

Practical aspects concerning catalysis with molecularly doped metals

, Authors: Rosaria Ciriminna, Matteo Formenti, Mario Pagliaro, Cristina Della Pina
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-2g0d8
 
Subject: Chemistry
,
Working Paper
, Title:

Viscosity-sensitive membrane dyes as tools to estimate the crystalline structure of lipid bilayers

, Authors: Miguel Paez-Perez, Michael R. Dent, Nicholas J. Brooks, Marina K. Kuimova
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-nz4bt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation on the Correlation of Stability, Reactivity, and Struc-tural Properties of C/C2-doped Neutral and Charged Aln (n=2-7) Clusters

, Authors: RAMESH JARUPULA, surajit Maity
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-0d5wj
 
Subject: Chemistry
,
Working Paper
, Title:

Simulating fluorine K-edge resonant inelastic X-ray scattering of sulfur hexafluoride and the effect of dissociative dynamics

, Authors: Ambar Banerjee, Vinícius Vaz da Cruz, Victor Ekholm, Conny Såthe, Jan-Erik Rubensson, Nina Ignatova, Faris Gel’mukhanov, Michael Odelius
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-865lt
 
Subject: Chemistry
,
Working Paper
, Title:

Fragments quantum descriptors in classification of bio-accumulative compounds

, Authors: Bartłomiej Fliszkiewicz, Marcin Sajdak
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2022-9h79w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Coupled reaction equilibria enable the light-driven formation of metal-functionalized molecular vanadium oxides

, Authors: Stefan Repp, Moritz Remmers, Alexandra Stefanie Jessica Rein, Dieter Sorsche, Luca M. Carrella, Eva Rentschler, Carsten Streb
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-bjr33
 
Subject: Chemistry
,
Working Paper
, Title:

Straightforward Pentafluorosulfanylation for Molecular Design

, Authors: Tim Gatzenmeier, Yue Liu, Misato Akamatsu, Takashi Okazoe, Kyoko Nozaki
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-jzn11
 
Subject: Chemistry
,
Working Paper
, Title:

N-Heterocyclic Carbenes - the Design Concept for Densely Packed and Thermally Ultra-Stable Aromatic Self-Assembled Monolayers

, Authors: Mateusz Wróbel, Daria Cegiełka, Andika Asyuda,, Krzysztof Kozieł, Michael Zharnikov, Piotr Cyganik
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-xctsg
 
Subject: Chemistry
,
Working Paper
, Title:

Combined Homogeneous and Heterogeneous Hydrogenation with Parahydrogen to Yield Catalyst-Free Solutions of Hyperpolarized [1-13C]Succinate

, Authors: James Eills, Román Picazo-Frutos, Dudari Burueva, Larisa Kovtunova, Marc Azagra, Irene Marco Rius, Dmitry Budker, Igor Koptyug
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-lvv6m
 
Subject: Chemistry
,
Working Paper
, Title:

High-Spin Blatter’s Triradicals

, Authors: Rishu Khurana, Ashima Bajaj, K.R. Shamasundar, Md. Ehesan Ali
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-clcrj
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Neutral Decarboxylative and Desulfonylative C(sp3) Trifluoromethylation: Method Development and Mechanistic Inquiry

, Authors: Chris Seong, Courtney Roberts
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-8rgnp
 
Subject: Chemistry
,
Review
, Title:

What’s the Defect? Using Mass Defects to Study Oligomerization of Membrane Proteins and Peptides in Nanodiscs with Native Mass Spectrometry

, Authors: Julia Townsend, Michael Marty
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-s5c7s
 
Subject: Chemistry
,
Working Paper
, Title:

High Throughput FTIR Analysis of Macro and Microplastics with Plate Readers

, Authors: Win Cowger, Lisa Roscher, Ali Chamas, Benjamin Maurer, Lukas Gehrke, Hannah Jebens, Gunnar Gerdts, Sebastian Primpke
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-x88ss
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorosulfide La2+xSr1−xF4+xS2 with Triple-fluorite Layer Enabling Interstitial Fluoride-ion Conduction

, Authors: Shintaro Tachibana, Chengchao Zhong, Kazuto Ide, Hisatsugu Yamasaki, Takeshi Tojigamori, Hidenori Miki, Takashi Saito, Takashi Kamiyama, Keiji Shimoda, Yuki Orikasa
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-kjrcr
 
Subject: History
,
Presentation
, Title:

Tracing the inheritance line of Subak, a traditional martial art

, Authors: junho song
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.33774/coe-2023-rg8ml
 
Subject: Chemistry
,
Working Paper
, Title:

Substituting fossil-based with bio-based chemicals: The case of limonene as a greener pore expander for micellar templated silica

, Authors: Umair Sultan, Katrin Städtke, Andreas Göpfert, Daniel Lemmen, Ezzeldin Metwali, Santanu Maiti, Carola Schlumberger, Tadahiro Yokosawa, Benjamin Apeleo Zubiri, Erdmann Spiecker, Nicolas Vogel, Tobias Unruh, Matthias Thommes, Alexandra Inayat
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-s6117
 
Subject: Chemistry
,
Working Paper
, Title:

Discovering life’s directed metabolic (sub)paths to interpret biochemical markers using the DSMN

, Authors: Denise Slenter, M. Kutmon, Chris T. Evelo, Egon L. Willighagen
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2022-q1fv1-v2
 
Subject: Chemistry
,
Review
, Title:

Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials

, Authors: Akshay Krishna Ammothum Kandy, Kevin Rossi, Alexis Raulin-Foissac, Ga ́etan Laurens, Julien Lam
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2022-r9n57-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Sensitizer-free photochemical regeneration of benzimidazoline organohydride

, Authors: Ryosuke Matsubara, Tatsuhiro Harada, Weibin Xie, Tatsushi Yabuta, Jiasheng Xu, Masahiko Hayashi
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-1ngg4
 
Subject: Chemistry
,
Working Paper
, Title:

Styrene Aziridination with [Co^III(TAML^red)]– in Water; Understanding and Preventing Epoxidation via Nitrene Hydrolysis

, Authors: Eva J. Meeus, Max T.G.M. Derks, Nicolaas P. van Leest, Caroline J. Verhoef, Jana Roithova, Joost N. H. Reek, Bas de Bruin
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2022-0rw6q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable all-inorganic halide perovskite photoanodes with >100 h operational stability containing Earth-abundant materials

, Authors: Matyas Daboczi, Junyi Cui, Filipp Temerov, Salvador Eslava
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-cl4m5
 
Subject: Chemistry
,
Working Paper
, Title:

DFT studies of proton transfer of 2, 4-dihydroxybenzoic acid derivatives

, Authors: Chelsea Bridgmohan, Lichang Wang
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-3wmtp
 
Subject: Chemistry
,
Working Paper
, Title:

Antibody-based Imaging of Bioreductive Prodrug Release in Hypoxia

, Authors: Cagla Tosun, Maxim Mallerman, Antoine Wallabregue, Sarah Phillips, Claire Edwards, Stuart Conway, Ester Hammond
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-9n5s0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Band Gap Tuning Through Cation and Halide Alloying in Mechanochemical Synthesized Cs3(Sb1-xBix)2Br9 and Cs3Sb2(I1-xBrx)9 Solid Solutions

, Authors: Lorenzo Malavasi, Pietro Galinetto, Benedetta Albini, Giulia Giovilli, Marco Moroni, Edoardo Mosconi, Filippo De Angelis, Waldemar Kaiser, Virginia Grisci
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-62vzx
 
Subject: Chemistry
,
Working Paper
, Title:

Agave Sisalana for distributed production of absorbent media for menstrual pads in semi-arid regions

, Authors: Anton Molina, Anesta Kothari, Alex Odundo, Manu Prakash
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-p40cc
 
Subject: Chemistry
,
Working Paper
, Title:

High throughput proteomics enabled by a fully automated dual-column liquid chromatography system coupled with mass spectrometry

, Authors: Liang Chen, Ziwei Zhang, Yu Gao
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-8lnlk
 
Subject: Law
,
Working Paper
, Title:

The Future of Arbitration in Intellectual Property Disputes- An Opportunity for India's Growth and Resilience

, Authors: Arnold Stanley, Lochana V Khatri
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.33774/coe-2023-cdncs
 
Subject: Chemistry
,
Working Paper
, Title:

Covalent adduct formation as strategy for efficient CO2 fixation in crotonyl-CoA carboxylases/reductases

, Authors: Rodrigo Recabarren, Matthias Tinzl, David Saez, Aharon Gomez, Tobias Erb, Esteban Vöhringer-Martinez
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2022-j8nwb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pharmacology and Therapeutic Potential of Benzothiazole Analogues for Cocaine Use Disorder

, Authors: Comfort A. Boateng, Ashley N. Nilson, Rebekah Placide, Mimi L. Pham, Franziska M. Jakobs, Noelia Boldizsar, Scot McIntosh, Leia S. Stallings, Ivana V. Korankyi, Shreya Kelshikar, Nisha Shah, Diandra Panasis, Abigail Muccilli, Maria Ladik, Brianna Maslonka, Connor McBride, Moises Ximello Sanchez, Ebrar Akca, Mohammad Alkhatib, Julianna Saez, Catherine Nguyen, Emily Kurtyan, Jacquelyn DePierro, Raymond Crowthers, Dylan Brunt, Alessandro Bonifazi, Amy H. Newman, Rana Rais, Barbara S. Slusher, R. Benjamin Free, David R. Sibley, Kent D. Stewart, Chun Wu, Scott E. Hemby, Thomas M. Keck
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2022-1vmjt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Liquid-liquid phase separation and viscosity in biomass burning organic aerosol and climatic impacts

, Authors: Florence K. A. Gregson, Nealan G. A. Gerrebos, Meredith Schervish, Sepehr Nikkho, Elijah G. Schnitzler, Carley Schwartz, Christopher Carlsten, Jonathan P. D. Abbatt, Saeid Kamal, Manabu Shiraiwa, Allan K. Bertram
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-bjp79
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs

, Authors: Christian Steinebach, Izidor Sosič, Aleša Bricelj, Arunima Murgai, Luca Bischof, Yuen Lam Dora Ng, Christopher Heim, Samuel Maiwald, Matic Proj, Rabea Voget, Felix Feller, Janez Košmrlj, Annika Schmidt, Patricia Lemnitzer, Finn K. Hansen, Michael Gütschow, Jan Krönke, Marcus D. Hartmann
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-zshqp
 
Subject: Chemistry
,
Working Paper
, Title:

Optimized design and protocols eliminate power density gap between microbial fuel cells at different scales

, Authors: Nastaran Khodaparastasgarabad, Jayesh Sonowane, Lingling Gong, Linlin Liu, Jesse Greener
Version undefined posted 21 April 2023
Posted
Apr 21, 2023
10.26434/chemrxiv-2023-g5brl
 
Subject: Chemistry
,
Working Paper
, Title:

Inkjet Printed CNT-Antibody Bioink for Detecting HBV Surface Antigen

, Authors: Feng Yuan, Wei Wong
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-md4ww
 
Subject: Chemistry
,
Working Paper
, Title:

Umbrella-like helical structure of alpha-synuclein at the air-water interface observed with experimental and theoretical sum frequency generation spectroscopy

, Authors: Kris Strunge, Tucker Burgin, Thaddeus Golbek, Steven Roeters, Jim Pfaendtner, Tobias Weidner
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-lzc04
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient automatic construction of atom-economical QM regions with point-charge variation analysis

, Authors: Felix Brandt, Christoph Jacob
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-4p00l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of FEC electrolyte additive on the electrochemical performance of nickel-rich NCM ternary cathode

, Authors: Shengxian She, Yangfan Zhou, Zijian Hong, Yuhui Huang, Yongjun Wu
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-v3rx4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Magnesium(I) Reduction of Aluminum(III) Hydride Complexes: Generation of Mixed Valence Aluminum (AlI/Al0) Hydride Cluster Compounds, [Al6H8(NR3)2{Mg(-diketiminate)}4]

, Authors: Sneha Mullassery, K. Yuvaraj, Deepak Dange, Dafydd Jones, Iker del Rosal, Ross Piltz, Alison Edwards, Laurent Maron, Cameron Jones
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-l84np-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Stereoselective Two-Carbon Ring Expansion of Allylic Amines via Electronic Control of Palladium-Promoted Equilibria

, Authors: Jonathan Knowles, Charles Mikan, Aidan Matthews, Daniel Harris, Charlotte McIvor, Paul Waddell, Mark Sims
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-5l255-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Role of Cyclopentyl methyl ether co-solvent in Improving SEI layer stability in Hard Carbon Anode for Sodium-ion Batteries

, Authors: Nagmani ., Dhrubajyoti Das, Sreeraj Puravankara
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-z1hq1
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into the Mechanism and Regioselectivity of Palladium-Catalyzed Arylation of α,β-Unsaturated Ketones

, Authors: Jinbo Luo, Xiaoxi Su, Zhizheng Chen, Shuanglin Qu
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-97kbq
 
Subject: Chemistry
,
Working Paper
, Title:

Source to taps investigation of natural organic matter in non-disinfected drinking water distribution systems

, Authors: Marco Gabrielli, Fabio Pulcini, Giacomo Barbesti, Manuela Antonelli
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-9w64x
 
Subject: Chemistry
,
Working Paper
, Title:

Inhibitors of the Elastase LasB for the treatment of Pseudomonas aeruginosa lung infections

, Authors: Jelena Konstantinovic, Andreas M. Kany, Alaa Alhayek, Ahmed S. Abdelsamie, Asfandyar Sikandar, Katrin Voos, Yiwen Yao, Anastasia Andreas, Roya Shafiei, Brigitta Loretz, Esther Schönauer, Robert Bals, Hans Brandstetter, Rolf W. Hartmann, Christian Ducho, Claus-Michael Lehr, Christoph Beisswenger, Rolf Müller, Katharina Rox, Jörg Haupenthal, Anna Katharina Herta Hirsch
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-bszcb
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Click Chemistry for Disulfide Formation from Thiols

, Authors: Hengzhao Li, Mengqi Peng, Junyu Li, Hainam Do, Ke Ni, Minlong Wang, Zhankui Yuan, Lijun Wang, Tianxiao Zhao, Xiaohe Zhang, Yixuan Li, Ran Wang, Pengjie Wang, Xiaoxu Zhang, Ting Gao, Shoujuan Yu, Kangjia Qiao, Dongjie Li, Fazheng Ren, Jie An
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-s3mv7
 
Subject: Chemistry
,
Working Paper
, Title:

b,b-Directly Linked Porphyrin Rings: Synthesis, Photophysical Properties and Fullerene Binding

, Authors: Qiang Chen, Amber Thompson, Kirsten Christensen, Peter Horton, Simon Coles, Harry Anderson
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-wsrp7
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

THE DOUBLE CHARGE ON THE SURFACE OF THE SUN

, Authors: Yeldos Svanbayev
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.33774/coe-2023-psczd
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of α-tertiary primary amines and 1,2-amino alcohols from vinyl azides by light induced denitrogenative alkylarylation/dialkylation

, Authors: Wei Shu, Sifan Li, Hai-Wu Du, Paul W. Davies
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-z1fq5
 
Subject: Chemistry
,
Working Paper
, Title:

AL4GAP: Active Learning Workflow for generating DFT-SCAN Accurate Machine-Learning Potentials for Combinatorial Molten Salt Mixtures

, Authors: Jicheng Guo, Vanessa Woo, David Andersson, Nathaniel Hoyt, Mark Williamson, Ian Foster, Chris Benmore, Nicholas Jackson, Ganesh Sivaraman
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-wzv3q
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular Enhancement of Electrochemical Nitrate Reduction Catalyzed by Cobalt Porphyrin Organic Cages for Ammonia Electrosynthesis in Water

, Authors: Lun An, Mina Narouz, Peter Smith, Patricia De La Torre, Christopher Chang
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2022-09q8t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Nonenzymatic anaerobic ammonium oxidation through a hydrazine intermediate

, Authors: Daoping He, Kiyohiro Adachi, Daisuke Hashizume, ryuhei nakamura
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-rjkf6
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Stable Bio-templated InP/ZnSe/ZnS Quantum Dots for Specific Monitoring of Bacterial Membrane Proteins

, Authors: Hanie Yousefi, Laxmi Kishore Sagar, Armin Geraili, Dingran Chang, F. Pelayo García de Arquer, Connor D. Flynn, Seungjin Lee, Edward H. Sargent, Shana O. Kelley
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-155nf
 
Subject: Chemistry
,
Working Paper
, Title:

PBCNet：Computing Relative Binding Affinity of Ligands to a Receptor Based on a Pairwise Binding Comparison Network for Lead Optimization

, Authors: Jie Yu, Zhaojun Li, Geng Chen, Xiangtai Kong, Jie Hu, Dingyan Wang, Duanhua Cao, Yanbei Li, Xiaohong Liu, Gang Wang, Hualiang Jiang, Xutong Li, Xiaomin Luo, Mingyue Zheng
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-tbmtf
 
Subject: Chemistry
,
Working Paper
, Title:

Modification of 3D-printed PLA structures using Photo-iniferter RAFT Polymerization: Toward on-demand antimicrobial water filters

, Authors: Anne-Catherine Lehnen, Sebastian Hanke, Matthias Schneider, Charlotte Radelof, Joana Perestrelo, Stefan Reinicke, Martin Reifarth, Andreas Taubert, Katja M. Arndt, Matthias Hartlieb
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-fgrbd
 
Subject: Chemistry
,
Working Paper
, Title:

Point-of-care applicable metabotyping using biofluid-specific electrospun MetaSAMP®s directly amenable to ambient ionization mass spectrometry

, Authors: Margot De Spiegeleer, Vera Plekhova, Jozefien Geltmeyer, Ella Schoolaert, Beata Pomian, Varoon Singh, Kathleen Wijnant, Kimberly Dewindt, Volter Paukku, Alexander De Loof, Inge Gies, Nathalie Michels, Stefaan De Henauw, Marilyn De Graeve, Karen De Clerck, Lynn Vanhaecke
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-lthxl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Selective oxidation of methane to methanol over Au/H-MOR

, Authors: Wangyang Wang, Wei Zhou, Yuchen Tang, Weicheng Cao, Scott R. Docherty, Fangwei Wu, Kang Cheng, Qinghong Zhang, Christophe Copéret, Ye Wang
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-q4bfm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

UTILE-Gen: Automated Image Analysis in Nanoscience Using Synthetic Dataset Generator and Deep Learning

, Authors: André Colliard-Granero, Jenia Jitsev, Michael Eikerling, Kourosh Malek, Mohammad J. Eslamibidgoli
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-rwn79
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Pre-Electoral Coalitions and the Distribution of Political Power

, Authors: Rafael Hortala-Vallve, Jaakko Meriläinen, Janne Tukiainen
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.33774/apsa-2021-h9cln-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of Non-Classical Self-Assembly in Janus Particle-Based Surfactants and the Field-Triggered Breakdown of Surface Activity and Amphiphilic Properties

, Authors: Cornelia Lanz, Yasar Krysiak, Xu Liu, Manuel Hohgardt, Peter Jomo Walla, Sebastian Polarz
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-p8mb4
 
Subject: Chemistry
,
Working Paper
, Title:

Mapping the Frontier Orbital Energies of Imidazolium-based Cations Using Machine Learning

, Authors: Pratik Dhakal, Wyatt Gassaway, Jindal Shah
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-jg5l5
 
Subject: Chemistry
,
Working Paper
, Title:

Microbubbles as Self-Propelling Motors

, Authors: Palash Dhara, Niyati Shah, Arnab Maiti, Md Moinuddin, Kaustubh Rane, Krishna Kanti Dey
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-sd1l1
 
Subject: Chemistry
,
Working Paper
, Title:

Rotational transitions of COH+ and He: New interaction potential, bound states, scattering and pressure broadening cross-sections

, Authors: Ritika ., Apoorv Kushwaha, T. J. Dhilip Kumar
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-svc4t
 
Subject: Chemistry
,
Working Paper
, Title:

Coordinatively Unsaturated Metallates of Cobalt(II), Nickel(II), and Zinc(II) Gated by a Rigid and Narrow Void

, Authors: Christopher Hastings, Lucy Huffman, Chandan Tiwari, Jolaine Galindo Betancourth, William Brennessel, Brandon Barnett
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-v55b5
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective NiH-Catalyzed Syn-Hydrometalative Cyclization of Alkyne-tethered Ketoamides to α-Hydroxy-γ-Lactams

, Authors: Hai-Xiang Zeng, Xiao-Wen Zhang, Qi-Yang Li, Wen-Bo Liu
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-f5mcr
 
Subject: Chemistry
,
Working Paper
, Title:

Copper Phosphinate Complexes as Molecular Precursors for Ethanol Dehydrogenation Catalysts

, Authors: Tomas Pokorny, Iaroslav Doroshenko, Petr Machac, Lucie Simonikova, Zdenek Moravec, Jiri Pinkas, Ales Styskalik
Version undefined posted 24 April 2023
Posted
Apr 24, 2023
10.26434/chemrxiv-2023-bkcrr
 
Subject: Chemistry
,
Working Paper
, Title:

Recital Vector Dot Operations for Chemistry Students

, Authors: Jixin Chen
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-55c68
 
Subject: Chemistry
,
Review
, Title:

A tutorial mini-review on nanoporous carbons from biosourced building blocks: ordered hierarchical nanoarchitectures through benign methodologies

, Authors: Laszlo Szabo, Wim Thielemans, Jin Won Seo, Frank Buysschaert, Dionysios D. Dionysiou, Veerle Vandeginste
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-nrhcf
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemistry-Amended Barbier Reaction as an Expedient Alternative to Grignard Synthesis

, Authors: Jagadeesh Varma Nallaparaju, Tatsiana Nikonovich, Tatsiana Jarg, Danylo Merzhyievskyi, Riina Aav, Dzmitry Kananovich
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-3dx4c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Inverse design of metal-organic frameworks for direct air capture of CO2 via deep reinforcement learning

, Authors: Hyunsoo Park, Sauradeep Majumdar, Xiaoqi Zhang, Jihan Kim, Berend Smit
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-71mjq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Functionalizable Analog of the Yariv Reagent for AGP Imaging using Fluorescence Microscopy

, Authors: Sebastian Rueda, Tyler McCubbin, Meg Shieh, Raghuraj Hoshing, David Braun, Amit Basu
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-s2mm9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Halogen Bonding to Carbon: a Directional Interaction for the Reliable Design of Supramolecular Architectures Based on Non-derivatized Aromatic Carbon Systems

, Authors: Jogirdas Vainauskas, Tristan Borchers, Mihails Arhangelskis, Laura McCormick, Toni Spilfogel, Ehsan Hamzehpoor, Filip Topic, Simon Coles, Dmitrii Perepichka, Christopher Barrett, Tomislav Friscic
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-wnhrf
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating the reaction pathway of glucose electrooxidation to its valuable products: the Influence of mass transport and electrode potential on the product distribution

, Authors: Matthias Arenz, Nicolas Schlegel, Alexander Bagger, Jan Rossmeisl
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-5ml1l
 
Subject: Chemistry
,
Working Paper
, Title:

Sequence Patterning, Topology, and Morphology in Single-chain Nanoparticles: Insights from Graph Theory and Machine Learning

, Authors: Roshan Patel, Sophia Colmenares, Michael Webb
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-ss7f4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Concerted local and nonlocal effects on tip-enhanced nonlinear plasmonics

, Authors: Shota Takahashi, Atsunori Sakurai, Tatsuto Mochizuki, Toshiki Sugimoto
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-7phst-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism of Particle-Mediated Inhibition of Demetalation for Single-Atom Catalytic Sites in Acidic Electrochemical Environments

, Authors: Yu-Cheng Wang, Xiao-bing Gao, Wei Cheng Xu, Huan Huang, Kuang-min Zhao, Hong Ye, Zhiyou Zhou, Nan-Feng Zheng, Shigang Sun
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-cfqdg-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Couplings for Singlet Fission Processes Based on The Fragment Particle-Hole Densities

, Authors: Yu-Chen Wang, Shishi Feng, Yi Kong, Xunkun Huang, WanZhen Liang, Yi Zhao
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-42rq1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Screen printed carbon nanotube chemiresistive pH sensor on paper-based microfluidics

, Authors: Rahul Sharma, Amit Patel
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-j51kq
 
Subject: Chemistry
,
Review
, Title:

Recent Advances in Graphene-Based Electrical Glucose Monitoring

, Authors: Zihan Li, Siting Liu
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-vpsmr
 
Subject: Chemistry
,
Working Paper
, Title:

A Wearable Electrochemical Biosensor for Lactate Monitoring in Sweat

, Authors: Mohammed Hassan Ali, Ahmed Tariq Mahmoud, Karim Hisham Abdullah
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-kqqtt
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Investigations of the Water Structure at α-Al2O3(0001)-Water Interfaces

, Authors: Xiaoliu Zhang, Christopher Arges, Revati Kumar
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-11691
 
Subject: Chemistry
,
Working Paper
, Title:

New star-shaped ligands generated by evolutionary fitting the Omicron spike inner-cavity

, Authors: julio coll
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-v8gqj
 
Subject: Chemistry
,
Working Paper
, Title:

Sublimation Thermodynamics of 5,10,15,20–Tetraphenyl-21-X, 23-Y-Heteroporphyrins (X=O or S; Y= N or S). The Molecular structure of 5,10,15,20-Tetraphenyl-21-thiaporphyrin

, Authors: Ilya Kuzmin, Sergey Shlykov, Alexander Krasnov, Svetlana Pukhovskaya, Sergey Syrbu, Yulia Ivanova
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-g56rp
 
Subject: Chemistry
,
Working Paper
, Title:

How Effective Are Indicators for Individuals with Colour Vision Deficiency?

, Authors: Nicholas J. Roberts, Toren Hynes, Devon Stacey, Jennifer L. MacDonald
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-6g77r
 
Subject: Chemistry
,
Working Paper
, Title:

Preparation of Resilient Organic Electrochemical Transistors Based on Blend Films with Flexible Crosslinkers

, Authors: Shuhei Kindaichi, Ryosuke Matsubara, Atsushi Kubono, Shunsuke Yamamoto, Masaya Mitsuishi
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-zztqm
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial bonding between a crystalline metal-organic framework and an inorganic glass

, Authors: Celia Castillo, Ashleigh Chester, Ronan P. Cosquer, Adam Sapnik, Lucia Corti, Roman Sajzew, Bruno Poletto Rodrigues, Georgina Robertson, Daniel Irving, Lauren McHugh, Lothar Wondraczek, Frédéric Blanc, David A. Keen, Thomas D Bennett
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.26434/chemrxiv-2023-4czjx
 
Subject: Materials Science
,
Working Paper
, Title:

On the pressureless sintering of ZrB2-20 vol% MoSi2 composites

, Authors: Mainak Saha
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.33774/coe-2023-f538k
 
Subject: Mathematics
,
Working Paper
, Title:

Hilbert mathematics versus Gödel mathematics III. Hilbert mathematics by itself, and Gödel mathematics versus the physical world within it: both as its particular cases

, Authors: Vasil Penchev
Version undefined posted 25 April 2023
Posted
Apr 25, 2023
10.33774/coe-2023-fl6vn
 
Subject: Chemistry
,
Working Paper
, Title:

LabInform ELN: A lightweight and flexible electronic laboratory notebook for academic research based on the open-source software DokuWiki

, Authors: Mirjam Schröder, Till Biskup
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-2tvct
 
Subject: Chemistry
,
Working Paper
, Title:

A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture

, Authors: Elias Moubarak, Seyed Mohamad Moosavi, Charithea Charalambous, Susana Garcia, Berend Smit
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-hd568
 
Subject: Chemistry
,
Working Paper
, Title:

Lipophilic modification of Salirasib modulate the antiproliferative and antimigratory activity.

, Authors: María Sol Ballari, Exequiel O. J. Porta, Evelyn Arel Zalazar, Carla M. Borini Etichetti, José M. Padrón, Javier Girardini, Guillermo R. Labadie
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2021-gkff1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Low-temperature electrochemical ammonia synthesis: measurement reliability and comparison to Haber-Bosch in terms of energy efficiency

, Authors: Fateme Rezai, Søren Læsaa, Nihat Ege Sahin, Jacopo Catalano, Emil Dražević
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2022-mw2lr-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen Generation by Hydrolysis of Magnesium Hydride in Organic Acids Solutions

, Authors: Mykhaylo Lototskyy, Moegamat Wafeeq Davids, Tshepo Kgokane Sekgobela, Artem Arbuzov, Sergey Mozhzhukhin, Yongyang Zhu, Renheng Tang, Boris Tarasov
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-s6mp3
 
Subject: Chemistry
,
Working Paper
, Title:

Oxa-TriQuinoline: A New Entry to Aza-Oxa-Crown Architectures

, Authors: Naoya Kumagai, Toi Kobayashi
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-hl2vr
 
Subject: Chemistry
,
Working Paper
, Title:

Techno-economic analysis of a CO2 direct air capture-cooling tower hybrid process at a geothermal facility

, Authors: Fabian Rosner, Alexandre Schamberger, Hanna Breunig
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-whjvj
 
Subject: Chemistry
,
Working Paper
, Title:

CO2 permeation through fusion-bonded epoxy coating in humid environments

, Authors: Hossein Zargarnezhad, Kashif Mairaj Deen, Dennis Wong, C. N. Catherine Lam, Edouard Asselin
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-mv05n
 
Subject: Chemistry
,
Working Paper
, Title:

Time-resolved in-situ nanoparticle size evolution during magnetron sputtering onto liquids

, Authors: Pinar Eneren, Anastasiya Sergievskaya, Yunus Tansu AKSOY, Polona Umek, Stephanos Konstantinidis, Maria Rosaria Vetrano
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-tv7rp
 
Subject: Chemistry
,
Working Paper
, Title:

Multiplexed deconvolution of enzyme function in a PLP-dependent protein family

, Authors: Anna Zmich, Lydia Perkins, Craig Bingman, Justin Acheson, Andrew Buller
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-xrs1z
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Zeno Effect: Irreversible and Quantum Thermodynamic considerations

, Authors: Umberto Lucia
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-zms13
 
Subject: Chemistry
,
Working Paper
, Title:

Nanodroplet-based reagent delivery into water-in-fluorinated-oil droplets

, Authors: Bo Zhu, Zhe Du, Yancen Dai, Tetsuya Kitguchi, Sebastian Behrens, Burckhard Seelig
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-mkw7h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The engineered hexosaminidase TtOGA-D120N is an efficient O-/N-/S-glycoligase that also catalyzes formation and release of oxazoline donors for cascade syntheses with glycosynthases or transglycosylases

, Authors: Agnes Beenfeldt Petersen, Seyed Hossein Mirbarati, Birte Svensson, Jens Ø Duus, David Teze
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-h7r0c
 
Subject: Chemistry
,
Working Paper
, Title:

1,2-Redox Transpositions of Tertiary Amides

, Authors: Benjamin Shennan, Sergio Sánchez Alonso, Darren Dixon
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-rchb2
 
Subject: Chemistry
,
Working Paper
, Title:

Enzymatic Synthesis of L-Methionine Analogues and Application in a Methyltransferase Catalysed Alkylation Cascade

, Authors: Michael Mohr, Raspudin Saleem-Batcha, Nicolas Cornelissen, Jennifer Andexer
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-jk4h5
 
Subject: Chemistry
,
Working Paper
, Title:

Inferring the nominal molecular mass of an analyte from its electron ionization mass spectrum

, Authors: Arun Moorthy, Anthony Kearsley, William Mallard, William Wallace, Stephen Stein
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-wpff0
 
Subject: Chemistry
,
Working Paper
, Title:

Resolving the structural complexity of gamma-Al2O3: the nature of vacancy ordering and the structure of complex antiphase boundaries

, Authors: Libor Kovarik, Mark Bowden, Konstantin Khivantsev, Ja Hun Kwak, Janos Szanyi
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-dcch9
 
Subject: Chemistry
,
Working Paper
, Title:

Substrate effect on the structure and properties of Cu clusters supported on ZnO

, Authors: Chasity Love-Nkansah, Peshala Jayamaha, Lichang Wang
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-s27dw
 
Subject: Chemistry
,
Working Paper
, Title:

Triplet-Sensitized Bidirectional Isomerization of Bridged Azobenzene

, Authors: Jussi Isokuortti, Thomas Griebenow, Jan-Simon von Glasenapp, Tim Raeker, Mihail A. Filatov, Timo Laaksonen, Rainer Herges, Nikita A. Durandin
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-nq0w0
 
Subject: Chemistry
,
Working Paper
, Title:

Zero- to Low-field Relaxometry of Chemical and Biological Fluids

, Authors: Seyma Alcicek, Piotr Put, Adam Kubrak, Fatih Celal Alcicek, Danila Barskiy, Stefan Gloeggler, Jakub Dybas, Szymon Pustelny
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-rsb4t
 
Subject: Chemistry
,
Working Paper
, Title:

Solvent-Free Chemical Recycling of Polymers made by ATRP and RAFT polymerization: High-Yielding Depolymerization at Low Temperatures

, Authors: Richard Whitfield, Glen Jones, Nghia Truong, Lewis Manring, Athina Anastasaki
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-sc9qp
 
Subject: Chemistry
,
Working Paper
, Title:

Ageing of High Energy Density Automotive Li-ion Batteries: The Effect of Temperature and State-of-Charge

, Authors: Anastasiia Mikheenkova, Alexander J. Smith, Kristian B. Frenander, Yonas Tesfamhret, Niladri Roy Chowdhury, Cheuk-Wai Tai, Torbjörn Thiringer, Rakel Wreland Lindström, Maria Hahlin, Matthew J. Lacey
Version undefined posted 26 April 2023
Posted
Apr 26, 2023
10.26434/chemrxiv-2023-n4cd9
 
Subject: Chemistry
,
Review
, Title:

Memory unlocks the future of biomolecular dynamics: Transformative tools to uncover physical insights accurately and efficiently

, Authors: Anthony Dominic III, Siqin Cao, Andres Montoya-Castillo, Xuhui Huang
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-920jj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

EVOLVE: An Evolutionary Toolbox for the Design of Peptides and Proteins

, Authors: Nicholas J. Browning, Marta A.S. Perez, Elizabeth Brunk, Ursula Rothlisberger
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-gb366
 
Subject: Chemistry
,
Working Paper
, Title:

Neutron Diffraction and DFT Studies of Oxygen Defect and Transport in Higher-Order Ruddlesden-Popper Phase Materials

, Authors: Mudasir Yatoo, Ieuan Seymour, Stephen Skinner
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-qzf96
 
Subject: Chemistry
,
Working Paper
, Title:

Design rules for optimization of photophysical and kinetic properties of azoarene photoswitches

, Authors: Daniel Adrion, Steven Lopez
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-gz995
 
Subject: Chemistry
,
Working Paper
, Title:

Cation Coordination Polyhedra Lead to Multiple Lengthscale Organization in Aqueous Electrolytes

, Authors: Yihui Wei, Emily Nienhuis, Sebastian Mergelsberg, Trent Graham, Qing Guo, Gregory Schenter, Carolyn Pearce, Aurora Clark
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-r4x57
 
Subject: Chemistry
,
Working Paper
, Title:

Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection Optimization

, Authors: Ignacio Fdez. Galván, Roland Lindh
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-2cl67-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Thermofluorimetric Analysis (TFA) using Probes with Flexible Spacers: Application to Direct Antibody Sensing and to Antibody-Oligonucleotide (AbO) Conjugate Valency Monitoring

, Authors: Amanda S.N. Kurian, Asanka Gurukandure, Igor Dovgan, Sergii Kolodych, Christopher J. Easley
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-lm9td-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging the persistent radical effect in the synthesis of trans-2,3-diaryl-dihydrobenzofurans

, Authors: Bec Roldan, Travis Hammerstad, Matthew Galliher, Mitchell Keylor, Derek Pratt, Corey Stephenson
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2022-2bmrf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Regio- and stereospecific thiol-thioalkyne reaction facilitated by organic base

, Authors: shengtao ding, Yunxin Sun, Ningning Song, Yanchen Han
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-q3983
 
Subject: Chemistry
,
Working Paper
, Title:

Parametrically Managed Activation Function for a Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential

, Authors: Farideh Badichi Akher, Yinan Shu, Zoltan Varga, Suman Bhaumik, Donald Truhlar
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-0cwdz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Phase Behavior, Mechanical Stability, and Protein Reconstitution Properties of Polymer-Lipid Hybrid Vesicles

, Authors: Wagner Muller, Paul Beales, André Muniz, Lars Jeuken
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-t4swt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled Chitosan Molecular Weight Reduction by Mechanochemical and Aging-based Phosphoric Acid Hydrolysis

, Authors: Audrey Moores, Galen Yang, Edmond Lam
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-h4m00-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Catalyst Design to Address Nylon Plastics Recycling

, Authors: Liwei Ye, Xiaoyang Liu, Kristen Beckett, Jacob O. Rothbaum, Clarissa Lincoln, Linda J. Broadbelt, Yosi Kratish, Tobin J. Marks
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-h91np
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetics and Mechanism of Heterogeneous Voltage-Driven Water-Dissociation Catalysis

, Authors: Lihaokun Chen, Qiucheng Xu, Shannon Boettcher
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-jrw9w
 
Subject: Chemistry
,
Working Paper
, Title:

Levels of symmetry adapted perturbation theory (SAPT). II. Convergence of interaction energy components

, Authors: Jeffrey Schriber, Daniel Cheney, C. David Sherrill
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-ftt1v
 
Subject: Chemistry
,
Working Paper
, Title:

GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit

, Authors: Joao Aires-de-Sousa
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-h1gqd
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Structural and Property Differences Between Highly Similar Chiral and Racemic Crystals Composed of Analogous Molecules

, Authors: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-5jlzx
 
Subject: Chemistry
,
Working Paper
, Title:

Identifying Coarse-Grained Representations for Electronic Predictions

, Authors: Chun-I Wang, Charlie Maier, Nicholas Jackson
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-lnfq8
 
Subject: Chemistry
,
Working Paper
, Title:

Nonlocal functionals inspired by the strongly interacting limit of DFT: exact constraints and implementation

, Authors: Stefan Vuckovic, Hilke Bahmann
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-dlbcj
 
Subject: Chemistry
,
Working Paper
, Title:

PMTransformer: Universal Transfer Learning and Cross-material Few-shot Learning in Porous Materials

, Authors: Hyunsoo Park, Yeonghun Kang, Jihan Kim
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-979mt
 
Subject: Chemistry
,
Working Paper
, Title:

Chloromethyl boryl-N-tosylhydrazone as a versatile synthetic building block

, Authors: Ryuya Miyazaki, Kei Muto, Junichiro Yamaguchi
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-5htqb
 
Subject: Chemistry
,
Working Paper
, Title:

Covalently introducing sulfur in a thiol-rich metal-organic framework toward advanced lithium-sulfur batteries

, Authors: Shangjun Lin, Hujing Zhou, Ruwei Chen, Xuanhe Hu, Jun He
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-fjlzv
 
Subject: Chemistry
,
Working Paper
, Title:

1H NMR Shift of Single Molecular Water and Its Ligand Interactions in Organic Solvents

, Authors: Liuqun Gu
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-s1tf1
 
Subject: Chemistry
,
Working Paper
, Title:

Life cycle assessment of comparing different nutrient recovery systems from municipal wastewater: A path towards self-reliance and sustainability

, Authors: Sarath C. Gowd, Pradeep Ramesh, Vigneswaran V S, Selvaraj Barathi, Jintae Lee, Karthik Rajendran
Version undefined posted 27 April 2023
Posted
Apr 27, 2023
10.26434/chemrxiv-2023-r8560
 
Subject: Chemistry
,
Working Paper
, Title:

Vision-driven Autocharacterization of Perovskite Semiconductors

, Authors: Alexander E. Siemenn, Eunice Aissi, Fang Sheng, Armi Tiihonen, Hamide Kavak, Basita Das, Tonio Buonassisi
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-7qzhw
 
Subject: Chemistry
,
Working Paper
, Title:

Electromigration forces on atoms on graphene nanoribbons: The role of adsorbate-surface bonding

, Authors: Susanne Leitherer, Mads Brandbyge, Gemma C. Solomon
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-09z1h
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Stable Neutral Homoaromatic Hydrocarbons

, Authors: Trung Tran Ngoc, Jasper van der Welle, Tobias Rüffer, Teichert Johannes
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-kbtbm
 
Subject: Chemistry
,
Working Paper
, Title:

Flexible Backbone Effects on the Redox Properties of Perylene Diimide-Based Polymers

, Authors: Jaehwan Kim, Yogita Shirke, Phillip Milner
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-j5fks
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable Extraction of Information from Spatio-Temporal Patterns of Chemoresponsive Liquid Crystals Using Topological Data Analysis

, Authors: Shengli Jiang, Nanqi Bao, Alexander D. Smith, Shraddha Byndoor, Reid C. Van Lehn, Manos Mavrikakis, Nicholas L. Abbott, Victor M. Zavala
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-fjcxd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding hydrogen electrocatalysis by probing the hydrogen-bond network of water at the electrified Pt/solution interface

, Authors: Qiang Sun, Nicholas Oliveira, Sergiy Tyukhtenko, Jason Guo, Nathalie Myrthil, Steven Lopez, Ian Kendrick, Sanjeev Mukerjee, Lu Ma, Steven Ehrlich, Jingkun Li, Yushan Yan, Qingying Jia, William A. Goddard III, Soonho Kwon
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2021-gks2k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Studies on Rh-Catalyzed Ligand-Controlled Chemoselective Hydrothiolation of Cyclopropenes

, Authors: Dingyi Tang, Zhizheng Chen, Xiaoxi Su, Shuanglin Qu
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-8w6tf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computer-assisted discovery and rational synthesis of ternary oxides

, Authors: Joseph Montoya, Carolyn Grimley, Muratahan Aykol, Colin Ophus, Hadas Sternlicht, Benjamin H. Savitzky, Andrew M. Minor, Steven Torrisi, Jackson Goedjen, Ching-Chang Chung, Andrew Comstock, Shijing Sun
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-n4pz9
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Sensitive and Selective Electrochemical Detection of Dopamine and Uric Acid Using Sea Urchin-like Tungsten Oxide Nanostructure Modified SPCE

, Authors: Merve Oğuz, Ahmet Aykaç, Mustafa Şen
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-gjj50
 
Subject: Chemistry
,
Review
, Title:

Spatial Transcriptomics: Emerging Technologies in Tissue Gene Expression Profiling

, Authors: Agustín Robles-Remacho*, Rosario M. Sanchez-Martin, Juan J. Diaz-Mochon*
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-n20f0
 
Subject: Chemistry
,
Working Paper
, Title:

Rationalizing the Formation of Porosity in Mechanochemically-Synthesized Polymers

, Authors: Annika Krusenbaum, Steffi Krause Hinojosa, Sven Fabig, Valentin Becker, Sven Graetz, Lars Borchardt
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-hsg0j
 
Subject: Chemistry
,
Working Paper
, Title:

Copper(II) and copper(I) complexes with a bidentate hydrazinic dithiocarbazate: synthesis and crystal structures

, Authors: Michele Di Palma, Nicola Salvarese, Carolina Gobbi, Alessandro Dolmella, Cristina Bolzati
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-gxkj5
 
Subject: Chemistry
,
Working Paper
, Title:

Adenosine Monophosphate as Shape-inducing Agent: The Case of Gold Nanostars

, Authors: Carlos Fernández-Lodeiro, Javier Fernández-Lodeiro, Adrián Fernández-Lodeiro, Silvia Nuti, Carlos Lodeiro, Alec P. LaGrow, Ignacio Pérez-Juste, Jorge Pérez-Juste, Isabel Isabel Pastoriza-Santos
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-qd0kj
 
Subject: Chemistry
,
Working Paper
, Title:

Improving the molecular spin qubit performance in multivariate zirconium MOF hybrids by mechanochemical dilution and fullerene encapsulation

, Authors: Lucija Vujević, Bahar Karadeniz, Nikola Cindro, Andraž Krajnc, Gregor Mali, Stanislav M. Avdoshenko, Alexey A. Popov, Dijana Žilić, Krunoslav Užarević, Marina Kveder
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-0p9jh
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid and effective method of laser metallization of dielectric materials using deep eutectic solvents with copper acetate

, Authors: Evgeniia Khairullina, Andrey Shishov, Dmitry Gordeychuk, Lev Logunov, Aleksandra Levshakova, Vladimir Sosnovsky, Aleksandra Koroleva, Vladimir Mikhailovsky, Evgeny Gurevich, Ivan Chernyshov, Maxim Panov, Ilya Tumkin
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-xmmw4
 
Subject: Chemistry
,
Working Paper
, Title:

DNA-based Signaling Networks for Transient Colloidal Co-Assemblies

, Authors: Charu Sharma, Avik Samanta, Ricarda Schmidt, Andreas Walther
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-t82zv
 
Subject: Chemistry
,
Working Paper
, Title:

Fe-Promoted C-F Activation of Aryl Fluorides Enables Heck-Type Coupling with Alkenes and One-Pot Synthesis of Indenes

, Authors: Maxim Radzhabov, Neal Mankad
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-0phkg
 
Subject: Chemistry
,
Working Paper
, Title:

High Temperature Reaction of Individual Graphite Nanoparticles with N2O: Etching, Passivation, Sublimation, and Comparison to O2

, Authors: Chris Lau, Abigail Friese, Scott Anderson
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-6894f
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidative instability of ionomers in hydroxide-exchange-membrane electrolyzers

, Authors: Grace Lindquist, Jamie Gaitor, Willow Thompson, Valerie Brogden, Kevin Noonan, Shannon Boettcher
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-7w3rz
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorescent Ligand Enables Target Engagement Studies for the Intracellular Allosteric Binding Site of the Chemokine Receptor CXCR2

, Authors: Max Huber, Silas Wurnig, Lara Toy, Corinna Weiler, Nicole Merten, Evi Kostenis, Finn Hansen, Matthias Schiedel
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-d9d87-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid mapping of alloy surface phase diagrams via Bayesian evolutionary multitasking

, Authors: Shuang Han, Steen Lysgaard, Tejs Vegge, Heine Anton Hansen
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2022-fdv1r-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Transition Metal Azahemiporphycenes as Singlet Oxygen Sensitizers

, Authors: Abraham Alemayehu, Kevin J. Gagnon, Yoann Rousselin, Max Schmallegger, Sergey Borisov, Abhik Ghosh
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-6sc5t
 
Subject: Chemistry
,
Working Paper
, Title:

A route to potent, selective and biased salvinorin chemical space

, Authors: Sarah Hill, Nathan Dao, Vuong Dang, Edward Stahl, Laura Bohn, Ryan Shenvi
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-h7h38
 
Subject: Chemistry
,
Working Paper
, Title:

A Theoretical Search for Terminal Carbides and d-Block–p-Block Quadruple Bonds

, Authors: Abhik Ghosh, Jeanet Conradie
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-jvk2x
 
Subject: Chemistry
,
Working Paper
, Title:

A comparison among bio-derived acids as selective eco-friendly leaching agents for cobalt: the case study of hard metals waste enhancement

, Authors: Amadou Oumarou Amadou, Martina Cera, Stefano Trudu, Martina Piredda, Stefano Cara, Gian Pietro De Gaudenzi, Avtar Singh Matharu, Luciano Marchiò, Matteo Tegoni, Aldo Muntoni, Giorgia De Gioannis, ANGELA SERPE
Version undefined posted 28 April 2023
Posted
Apr 28, 2023
10.26434/chemrxiv-2023-9l4mp-v2
 
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