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Subject: Law
,
Working Paper
, Title:

NEGLIGENCE AND DRUGS IN MEDICAL LAW

, Authors: HARSH BANSAL
Version undefined posted 02 July 2023
Posted
Jul 02, 2023
10.33774/coe-2023-cvw6c
 
Subject: Chemistry
,
Working Paper
, Title:

Merged molecular switches excel as optoacoustic dyes: azobenzene-cyanines are loud and photostable NIR imaging agents

, Authors: Markus Müller, Nian Liu, Vipul Gujrati, Abha Valavalkar, Sean Hartmann, Andras Telek, Benjamin Dietzek-Ivanšić, Achim Hartschuh, Vasilis Ntziachristos, Oliver Thorn-Seshold
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-kdg9p
 
Subject: Chemistry
,
Working Paper
, Title:

One- and two-electron reductions of a bulky BODIPY compound

, Authors: Liam Pascoe, Li Feng Lim, Fabian Kallmeier, Nicholas Cox, Penelope Brothers, Jamie Hicks
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-r2wtp
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating Mass Transfer Around Spatially-Decoupled Electrolytic Bubbles

, Authors: Akash Raman, Carla Corina dos Santos Porto, Han Gardeniers, Cíntia Soares, David Fernández Rivas, Natan Padoin
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-ml4jd
 
Subject: Chemistry
,
Working Paper
, Title:

Excited-state odd-even effect in through-space interactions

, Authors: Zuping Xiong, Jianyu Zhang, Jing Zhi Sun, Haoke Zhang, Ben Zhong Tang
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-jd9sk
 
Subject: Chemistry
,
Working Paper
, Title:

Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron Density Acceptors

, Authors: Miriam Calabrese, Rosa Gomila, Andrea Pizzi, Antonio Frontera, Giuseppe Resnati
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-czgfb
 
Subject: Chemistry
,
Working Paper
, Title:

Crystallographic and geometrical dependence of water oxidation activity in Co-based layered hydroxides

, Authors: Roger Sanchis-Gual, Diego Hunt, Camilo Jaramillo-Hernandez, Álvaro Seijas-Da Silva, Martín Mizrahi, Carlo Marini, Víctor Oestreicher, Gonzalo Abellán
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2022-rcq28-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A modular approach to tuning the charge transfer properties of photoluminescent quinine analogues.

, Authors: Joseph Watson, Ruth Pollard, Marc Etherington, Jonathan Knowles
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-pn532-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Inelastic Scattering of Formaldehyde on Au(111) surface

, Authors: Rupayan Biswas, Upakarasamy Lourderaj
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-bm5qc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Determinants of the Binding and Activation of Estrogen Receptor alpha by Phenolic Thieno[2,3-d]pyrimidines

, Authors: Vamshi Sammeta, Brian Anderson, John Norris, Chad Torrice, Carstyn Joiner, Shubin Liu, Haoxi Li, Konstantin Popov, Sean Fanning, Donald McDonnell, Timothy Willson
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-wrzhc
 
Subject: Chemistry
,
Working Paper
, Title:

Generative Organic Electronic Molecular Design via Reinforcement Learning Integration with Quantum Chemistry: Tuning Singlet and Triplet Energy Levels

, Authors: Cheng-Han Li, Daniel P. Tabor
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-bgcjg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The UniDec Processing Pipeline for Rapid Analysis of Biotherapeutic Mass Spectrometry Data

, Authors: Wilson Phung, Corey Bakalarski, Trent Hinkle, Wendy Sandoval, Michael Marty
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-tbh20-v2
 
Subject: Chemistry
,
Working Paper
, Title:

In Situ Transmission Electron Microscopy of Temperature-dependent Carbon Nanofiber and Carbon Nanotube Growth from Ethanol Vapor

, Authors: Myeonggi Choe, Handolsam Chung, Wonjun Kim, Younggeun Jang, Zhaoying Wang, Zonghoon Lee
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-d4m21-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Double-layer distribution of hydronium and hydroxide ions in the air-water interface

, Authors: Pengchao Zhang, Muye Feng, Xuefei Xu
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-5l2wf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cu-releasing nanoparticles induce the catalytic transamination of amino acids and GSSG under tumor microenvironment conditions

, Authors: Javier Bonet-Aleta, Juan V Alegre-Requena, Javier Martin-Martin, Miguel Encinas-Gimenez, Ana Martin-Pardillos, Pilar Martin-Duque, Jose L Hueso, Jesus Santamaria
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-9ckg2
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Polyolefin Plastics Hydrogenolysis Mediated by Single-Site Heterogeneous Electrophilic/Cationic Organo-Group IV Catalysts

, Authors: Wilson C. Edenfield, Alexander H. Mason, Qingheng Lai, Amol Agarwal, Takeshi Kobayashi, Yosi Kratish, Tobin J. Marks
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-vsnd5
 
Subject: Chemistry
,
Working Paper
, Title:

DFT Studies of Interaction between Methane and Single Metal Atoms: Co, Rh, Ir, Ni, Pd, and Pt

, Authors: Christian Mason, Lichang Wang
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-jt7jh
 
Subject: Chemistry
,
Working Paper
, Title:

De Novo Catalyst Discovery: Fast Identification of New Catalyst Candidates

, Authors: Maria Harris Rasmussen, Julius Seumer, Jan Halborg Jensen
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-lchmv
 
Subject: Chemistry
,
Working Paper
, Title:

Organophotocatalyzed Synthesis of Vinyl-SCF3 and Benzoyl-SCF3 Using a New Shelf-Stable PhPh-N-(SCF3)(CF3) Reagent.

, Authors: Yi Yang, renhe tang, Seifallah Abid, Lhoussain Khrouz, JULIEN VANTOUROUT, Anis Tlili
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-p11b2
 
Subject: Mathematics
,
Working Paper
, Title:

Electromagnetic Shielding Effectiveness of Coated Textiles

, Authors: Mark McGuinness
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.33774/miir-2023-sh7tk
 
Subject: Chemistry
,
Working Paper
, Title:

Why Deep Models Often Cannot Beat Non-deep Counterparts on Molecular Property Prediction?

, Authors: Jun Xia, Lecheng Zhang, Xiao Zhu, Stan Z. Li
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-xl49v-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Commercially Available Organolithium Compounds as Effective, Simple Precatalysts for Silicon–Nitrogen Heterodehydrocoupling

, Authors: Matthew Reuter, Claire Bushey, Diego Javier-Jimenez, Rory Waterman
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-xgzqj
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Structure and Excited State Dynamics of the NIR-II Emissive Molybdenum(III) Analog to the Molecular Ruby

, Authors: Winald Kitzmann, David Hunger, Antti-Pekka Reponen, Christoph Förster, Roland Schoch, Matthias Bauer, Sascha Feldmann, Joris van Slageren, Katja Heinze
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-pm760
 
Subject: Chemistry
,
Working Paper
, Title:

Unified Metal-Free Intermolecular Heck-Type Sulfonylation, Cyanation, Amination, Amidation of Alkenes by Thianthrenation

, Authors: Wei Shu, Ming-Shang Liu, Huan Meng
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-xsgh1
 
Subject: Chemistry
,
Working Paper
, Title:

One-pot synthesis of CRBN PROTACs via photoinduced C(sp2)–C(sp3) cross coupling and amide formation for PROTAC library synthesis

, Authors: Christine Marie Arndt, Jacqueline Bitai, Jessica Brunner, Till Opatz, Paola Martinelli, Andreas Gollner, Kevin R Sokol, Matthias Krumb
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-64h6v
 
Subject: Chemistry
,
Working Paper
, Title:

Loop opening and closing dynamics in enzymes: activated or friction-limited? The case of protein tyrosine phosphatases

, Authors: Kirill Zinovjev, Paul Guénon, Carlos A. Ramos-Guzmán, J. Javier Ruiz-Pernía, Damien Laage, Iñaki Tuñón
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-m8v8x
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Adverse Outcome Pathways for Nanomaterials with semantic web technologies

, Authors: Jeaphianne van Rijn, Marvin Martens, Ammar Ammar, Mihaela-Roxana Cimpan, Valerie Fessard, Peter Hoet, Nina Jeliazkova, Sivakumar Murugadoss, Ivana Vinković Vrček, Egon Willighagen
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-kjcl6
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of Kdo-8-N3 Incorporation into Lipopolysaccharides of Various Escherichia coli Strains

, Authors: Zeynep Su Ziylan, Geert-Jan de Putter, Meike Roelofs, Jan Maarten van Dijl, Dirk-Jan Scheffers, Marthe Walvoort
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-qsgcq
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning

, Authors: Clemens Isert, Kenneth Atz, Sereina Riniker, Gisbert Schneider
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-585vf
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid, solvent-minimized and sustainable access to various types of ferroelectric-fluid molecules by harnessing mechano-chemical technology

, Authors: Hiroya Nishikawa, Motonobu Kuwayama, Atsuko Nihonyanagi, Barun Dhara, Fumito Araoka
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-c9rv3
 
Subject: Chemistry
,
Working Paper
, Title:

Multiscale Mechanochemical Modeling of Spiropyran-Merocyanine Isomerization in Linear PMMA Polymers

, Authors: Sourabh Kumar, Baris Demir, Lucio Colombi Ciacchi, Tim Neudecker
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-6p49m
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Recovery of Rare Earth Elements by Smelting of Magnets

, Authors: Venkata Lakshmi Borra, Prasanta Jana, P P Sahoo, Prakash Venkatesan, Mehmet Ali Recai Önal, Chenna Rao Borra
Version undefined posted 03 July 2023
Posted
Jul 03, 2023
10.26434/chemrxiv-2023-zlb7d
 
Subject: Chemistry
,
Working Paper
, Title:

Dip Coating of Water-Resistant PEDOT:PSS Films Based on Physical Crosslinking

, Authors: Shunsuke Yamamoto, Ryusei Miyako, Ryota Maeda, Yuya Ishizaki, Masaya Mitsuishi
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-x7qmd
 
Subject: Chemistry
,
Working Paper
, Title:

Rhombohedral (R-3) Prussian White as cathode material: An ab-initio study

, Authors: Sebastian Baumgart, Mohsen Sotoudeh, Axel Groß
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-qqmqm
 
Subject: Chemistry
,
Working Paper
, Title:

Transmittance modulation by gold nanoparticle mediated wet chemical etching of silica

, Authors: Neethu Thomas, Parasuraman Swaminathan
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-m6279
 
Subject: Chemistry
,
Review
, Title:

Insights into the Influence of Geochemistry on Kerogen and Organic-rich Mudrocks

, Authors: Mohammad alaqib
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-lfmtp
 
Subject: Chemistry
,
Working Paper
, Title:

Zirconocene-Mediated Radical Hydrophosphination

, Authors: Diego Javier-Jiménez, Bryan Novas, Rory Waterman
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-vdj01-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On the role of charge transfer in many-body non-covalent interactions

, Authors: Jan Řezáč, Aurélien de la Lande
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-lh8vr-v3
 
Subject: Chemistry
,
Working Paper
, Title:

In situ Synthesis of Metal Selenide Nanoparticles by Selenium Nanoparticle Disproportionation

, Authors: Kanda Borgognoni, Zach Nilsson, Christopher Ackerson
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-vrbdb
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Diamonds at the Beach: Chemical insights into silica growth on nanoscale diamond using multimodal characterization and simulation

, Authors: Perla J. Sandoval, Karen Lopez, Andres Arreola, Anida Len, Pomaikaimaikalani Yamaguchi, Rina Kawamura, Camron X. Stokes, Cynthia Melendrez, Davida Simpson, Sang-Jun Lee, Charles Titus, Virginia Altoe, Sami Sainio, Dennis Nordlund, Kent Irwin, Abraham Wolcott
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-5b4hl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Medicinal Chemistry applications to cure Asian-prevalent strain of Hepatitis C Virus

, Authors: rashid hussain, Zulkarnain Haider, Hira Khalid, M.Qaiser Fatmi, Simone Carradori, Amelia Cataldi, Susi Zara
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-6vnvt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating Phenotypic and Chemoproteomic Approaches to Identify Covalent Targets of Dietary Electrophiles in Platelets

, Authors: Ivy Guan, Joanna Liu, Renata Sawyer, Xiang Li, Wanting Jiao, Yannasittha Jiramongkol, Mark White, Lejla Hagimola, Freda Passam, Denise Tran, Xiaoming Liu, Simone Schoenwaelder, Shaun Jackson, Richard Payne, Xuyu Liu
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-97zxk
 
Subject: Chemistry
,
Working Paper
, Title:

The Influence of Nitrogen Doping of the Acceptor in Orange–Red Thermally Activated Delayed Fluorescence Emitters and OLEDs

, Authors: Changfeng Si, Yan-Nan Hou, Dianming Sun, Kai Wang, Xiao-hong Zhang, Eli Zysman-Colman
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-dlzrb
 
Subject: Chemistry
,
Working Paper
, Title:

Vendi Sampling For Molecular Simulations: Diversity As A Force For Faster Convergence And Better Exploration

, Authors: Amey Pasarkar, Gianluca Bencomo, Simon Olsson, Adji Bousso Dieng
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-crmpg
 
Subject: Chemistry
,
Working Paper
, Title:

Through-Space Transmission of Unidirectional Rotary Motion in a Molecular Photogear

, Authors: Enrique M. Arpa, Sven Stafström, Bo Durbeej
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-9362l
 
Subject: Chemistry
,
Working Paper
, Title:

High-Fidelity Templated Ligation of RNA via 2′,3′-cyclic Phosphate

, Authors: Adriana Calaça Serrão, Sreekar Wunnava, Avinash Vicholous Dass, Lennard Ufer, Philipp Schwintek, Christof B. Mast, Dieter Braun
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-m261p
 
Subject: Chemistry
,
Working Paper
, Title:

Supporting Sustainability of Chemistry by Linking Research Data with Physically Preserved Research Materials

, Authors: Chia-Lin Lin, Pei-Chi Huang, Simone Graessle, Christoph Grathwol, Pierre Tremouilhac, Sylvia Vanderheiden, Patrick Hodapp, Sonja Herres-Pawlis, Alexander Hoffmann, Fabian Fink, Georg Manolikakes, Till Opatz, Andreas Link, M. Manuel B. Marques, Lena J. Daumann, Manuel Tsotsalas, Frank Biedermann, Hatice Mutlu, Eric Täuscher, Felix Bach, Tim Drees, Steffen Neumann, Nicole Jung, Stefan Bräse
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-2dd4c
 
Subject: Chemistry
,
Working Paper
, Title:

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

, Authors: Marc H. Garner, J. Terence Blaskovits, Clemence Corminboeuf
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-568ks
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Dynamics Simulations of the 2D Spectroscopy for Exciton Polaritons

, Authors: Elious Mondal, Eric Koessler, Justin Provazza, Nickolas Vamivakas, Steven Cundiff, Todd Krauss, Pengfei Huo
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-s1kp3
 
Subject: Chemistry
,
Working Paper
, Title:

Stepwise Tuning the Mechanical Flexibility of 1D Coordination Polymer Single Crystals

, Authors: Biswajit Bhattacharya, Adam Michalchuk, Dorothee Silbernagel, Heinz Sturm, Franziska Emmerling
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-nshlt
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating mass transfer relationships in stereolithography 3D printed electrodes for redox flow batteries

, Authors: Maxime van der Heijden, Marit Kroese, Zandrie Borneman, Antoni Forner-Cuenca
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-kpd8x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cloneable Selenium Nanoparticles As Multi-modal Bio-imaging Contrast Agents

, Authors: Kanda Borgognoni, Bradley Guilliams, Rachel Cohen, Christopher Ackerson
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-7sm53
 
Subject: Chemistry
,
Working Paper
, Title:

CO2/13CO2 Dynamic Exchange in the Formate Complex [(2,9-(tBu)2-phen)Cu(O2CH)] and its Catalytic Activity in the Dehydrogenation of Formic Ac-id

, Authors: Jean-Claude BERTHET, Kieu Phung, Pierre Thuéry, Thibault Cantat
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-pvkgc
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneous geraniol and citronellol transesterification using Pseudomonas fluorescens lipase for the production of fragrance, flavour and pharmaceutical esters: a kinetic study

, Authors: Alisa Wikaputri, Parimala Shivaprasad
Version undefined posted 04 July 2023
Posted
Jul 04, 2023
10.26434/chemrxiv-2023-p2qzz
 
Subject: Chemistry
,
Review
, Title:

PFAS science and regulation should be reconsidered using fluorine-specific physical chemistry

, Authors: Takeshi Hasegawa, Shoji Nakayama
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-r42hj
 
Subject: Chemistry
,
Working Paper
, Title:

Air-stable Copolymer Exhibiting Near-Infrared Long-Persistent Luminescence

, Authors: Zesen Lin, Maosheng Li, Ryota Kabe
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-t5bnk
 
Subject: Chemistry
,
Working Paper
, Title:

Low Apparent Activation Energy of Ammonia Synthesis over Ru Catalyst Supported by Hydrogen Storage Material

, Authors: Ryusei Morimoto, Takaya Ogawa, Kazuma Torii, Tetsu Seno, Hideyuki Okumura, Keiichi N. Ishihara
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-ng4n7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Copper(I) Clusters for Photo-Induced Oxidation of Biological Thiols in Living Cells

, Authors: Lisa Gourdon-Grünewaldt, Olivier Blacque, Gilles Gasser, Kevin Cariou
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-qxlgg
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Biocatalysts for the C-H Activation of Fatty Acids using Ancestral Sequence Reconstruction

, Authors: Bethan S. Jones, Connie M. Ross, Gabriel Foley, Nico Kress, Raine E. S. Thomson, Yosephine Gumulya, Martin A. Hayes, Elizabeth M. J. Gillam, Sabine L. Flitsch
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-qn9gj
 
Subject: Chemistry
,
Working Paper
, Title:

Specifications Grading at Scale: Improved Letter Grades and Grading-Related Interactions in a Course with over 1,000 Students

, Authors: Kate J. McKnelly, William J. Howitz, Taylor A. Thane, Renée D. Link
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2022-77wr7-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Water proton magnetisation lifetimes in the Earth's magnetic field to follow free-radical formation in real time

, Authors: Alexandru Topor, Mihai Adrian Voda, Paul R. Vasos
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-1ptm6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unexpected metabolic rewiring of CO2 fixation in H2-mediated materials-biology hybrids

, Authors: Yongchao Xie, Sevcan Erşan, Xun Guan, Jingyu Wang, Jihui Sha, Shuangning Xu, James A. Wohlschlegel, Junyoung O. Park, Chong Liu
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-3fjl6
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrasensitive Ionophore-Based Liquid Sensors for Colorimetric Ion Measurements in Whole Blood

, Authors: Nasrin Ghanbari Ghalehjoughi, Renjie Wang, Savannah Kelley, Xuewei Wang
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-7s65b
 
Subject: Chemistry
,
Working Paper
, Title:

Discovering Molecular Coordination Environments for Selective Ion Binding Using Machine Learning

, Authors: Shuwen Yue, Aditya Nandy, Heather Kulik
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-r1n4m
 
Subject: Chemistry
,
Working Paper
, Title:

SPOTLIGHT: Structure-based Prediction and Optimization Tool for LIgand Generation on Hard-to-drug Targets - Combining Deep Reinforcement Learning with Physics-based de novo drug design

, Authors: Venkata Sai Sreyas Adury, Arnab Mukherjee
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-pnhc4
 
Subject: Chemistry
,
Working Paper
, Title:

Copper-Catalyzed Sulfimidations of Benzylic C(sp3)-H Bonds

, Authors: Xunbo Lu, Guoling Huang
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-4zjpd
 
Subject: Chemistry
,
Working Paper
, Title:

RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis

, Authors: Dimitar Georgiev, Simon Vilms Pedersen, Ruoxiao Xie, Álvaro Fernández-Galiana, Molly M. Stevens, Mauricio Barahona
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.26434/chemrxiv-2023-m3xlm
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Conditional Associations of Authoritarianism with Americans’ Responses to COVID-19: An Out-of-Sample Replication

, Authors: Trent Ollerenshaw
Version undefined posted 05 July 2023
Posted
Jul 05, 2023
10.33774/apsa-2023-g96f0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Evaluation on the Performance of Ferrofluid in Wastewater Treatment

, Authors: Gehad Ibrahim
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-t3mtm
 
Subject: Chemistry
,
Review
, Title:

Use of Emerging C–H Functionalization Methods to Implement Strategies for the Divergent Total Syntheses of Bridged Polycyclic Natural Products

, Authors: Goh Sennari, Richmond Sarpong
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-tphcd
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental and Theoretical Studies of Hyperthermal N + O2 Collisions

, Authors: Adriana Caracciolo, Juan Carlos San Vincente Veliz, Dandan Lu, Hua Guo, Markus Meuwly, TIMOTHY MINTON
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-cf93b
 
Subject: Chemistry
,
Working Paper
, Title:

Ortho O-Annulated AzaBenzannulated PeryleneDiimide and BisAzaCoroneneDiimide

, Authors: Arthur H. G. David, Daryna Shymon, Hayley Melville, Lou-Ann Accou, Adèle Gapin, Magali Allain, Olivier Alévêque, Maximilien Force, Alexis Grosjean, Pietrick Hudhomme, Laura Le Bras, Antoine Goujon
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-625fl
 
Subject: Chemistry
,
Working Paper
, Title:

A Genetic Algorithm for Automated Parameterization of Network Hamiltonian Models of Amyloid Fibril Formation

, Authors: Gianmarc Grazioli, Andy Tao, Inika Bhatia, Patrick Regan
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-pnfgx
 
Subject: Chemistry
,
Working Paper
, Title:

RepoRT: A comprehensive repository for small molecule retention times

, Authors: Fleming Kretschmer, Eva-Maria Harrieder, Martin Hoffmann, Sebastian Böcker, Michael Witting
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-1mq73-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Using ML to repurpose FDA drugs for the treatment of Diabetic Cardiomyopathy

, Authors: Vishnu Aravind, Alex Kumar
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-fsh24
 
Subject: Chemistry
,
Working Paper
, Title:

Filling the blank space: Branched 4-nonylphenols isomers are responsible for robust constitutive androstane receptor (CAR) activation by nonylphenol

, Authors: Azam Rashidian, Jan Dusek, Martin Drastik, Lucie Smutná, Kristin Fritsche, Albert Braeuning, Antti Poso, Thales Kronenberger, Petr Pavek
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-6jvnf
 
Subject: Chemistry
,
Review
, Title:

New strategies of Designing Nickel-based Multifunctional Materials for Various Catalytic Applications: New advances

, Authors: Mamadou Kalan DIALLO
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-gcxt4
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal-annealing Enhanced Room-temperature Phosphorescence of Polymer-based Organic Materials

, Authors: Peng Wang, Lu Qiu, Jintong Wu, Tao Wen
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-k7hn6
 
Subject: Chemistry
,
Working Paper
, Title:

Modification of kitchen blenders into controllable laboratory mixers for mechanochemical synthesis of atomically thin materials

, Authors: Diego Perez-Alvarez, Jacob Brown, Jason Stafford
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-xhj0v
 
Subject: Chemistry
,
Working Paper
, Title:

Room-Temperature Multiple Phosphorescence from Functionalized Corannulenes: Temperature Sensing and Afterglow Organic Light-Emitting Diode

, Authors: Changfeng Si, Tao Wang, Abhishek Kumar Gupta, David Cordes, Alexandra Slawin, Jay Siegel, Eli Zysman-Colman
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-j1n1p
 
Subject: Chemistry
,
Working Paper
, Title:

Nontrivial Impact of Relative Humidity on Organic New Particle Formation from Ozonolysis of cis-3-Hexenyl Acetate

, Authors: Austin Flueckiger, Christopher Snyder, Giuseppe Petrucci
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-21vt3
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Fluctuating Charge Model for Zinc Containing Metalloproteins

, Authors: Luke Landry, Pengfei Li
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-71bbj
 
Subject: Chemistry
,
Working Paper
, Title:

Revisiting the Clausius/Clapeyron Equation and the Cause of Linearity

, Authors: Jason Thompson, Andrew Paluch
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-b4hwx
 
Subject: Chemistry
,
Working Paper
, Title:

Schlenk-type Equilibria of Grignard-analogous Arylberyllium Complexes: Steric Effects

, Authors: Christoph Helling, Cameron Jones
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-fzk1h
 
Subject: Chemistry
,
Review
, Title:

Green Chemistry and Engineering for Our Future

, Authors: Justin Chalker, Rumana Hossain, Veena Sahajwalla
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-zmbcn
 
Subject: Chemistry
,
Working Paper
, Title:

A Prodigious Behavior of Cycloalkyl Carboxylic Acid to Access 2D Space from 3D Space via Multifold C-H Activation

, Authors: Debabrata Maiti, Tanay Pal, Premananda Ghosh, Minhajul Islam, Srimanta Guin, Suman Maji, Suparna Dutta, Jayabrata Das, Haibo Ge
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-97041
 
Subject: Chemistry
,
Working Paper
, Title:

Q-band EPR cryoprobe

, Authors: Vidmantas Kalendra, Justinas Turcak, Gediminas Usevicius, Hugo Karas, Miriam Hülsmann, Adelheid Godt, Gunnar Jeschke, Juras Banys, John J.L. Morton, Mantas Simenas
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-mghr2
 
Subject: Chemistry
,
Working Paper
, Title:

Real-time Electrochemical Sensor for Phosphate Sensing in Soil-Water

, Authors: Tarun Narayan, Mary-Kate Reidy, Sarah Heelan, Alan O'Riordan, Han Shao
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-zl4hz
 
Subject: Chemistry
,
Working Paper
, Title:

JELLYFISH: a modular code for wave function-based electron dynamics simulations and visualizations on traditional and quantum compute architectures

, Authors: Fabian Langkabel, Pascal Krause, Annika Bande
Version undefined posted 06 July 2023
Posted
Jul 06, 2023
10.26434/chemrxiv-2023-p8384
 
Subject: Chemistry
,
Review
, Title:

The multivalency game ruling the biology of immunity

, Authors: Lara Victoria Aiassa, Giuseppe Battaglia, Loris Rizzello
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-9l9dl
 
Subject: Chemistry
,
Working Paper
, Title:

Automatic Feature Engineering for Catalyst Design Using Small Data without Prior Knowledge of the Target Catalysis

, Authors: Toshiaki Taniike, Aya Fujiwara, Sunao Nakanowatari, Fernando Escobar, Keisuke Takahashi
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-q05d5
 
Subject: Chemistry
,
Working Paper
, Title:

Control of photoswitching kinetics with strong light-matter coupling in a cavity

, Authors: Hongfei Zeng, Pufan Liu, Christopher Eckdahl, Juan Pérez-Sánchez, Woo Je Chang, Emily Weiss, Julia Kalow, Joel Yuen-Zhou, Nathaniel Stern
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-m1pj0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Aligning Nanojunctions for Integrated Single-Molecule Circuits

, Authors: Bo Liu, Busra Demir, Caglanaz Akin Gultakti, Jonathan Marrs, Ersin Emre Oren, Joshua Hihath
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-tk0m2
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetic behavior of two-dimensional Manganese Telluride

, Authors: Chinmayee Chowde Gowda, Raphael Tromer, Prafull Pandey, Dharita Chandravanshi, Amreesh Chandra, Kamanio Chattopadhyay, Douglas Galvao, Chandra Sekhar Tiwary
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-l91c3
 
Subject: Chemistry
,
Working Paper
, Title:

Designing solvent systems in chemical processes using self-evolving solubility databases and graph neural networks

, Authors: Yeonjoon Kim, Hojin Jung, Sabari Kumar, Robert S. Paton, Seonah Kim
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2022-sq34x-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Descriptors for Predicting and Understanding the Structure-Activity Relationships of Michael Acceptor Warheads

, Authors: Ruibin Liu, Erik Vazquez-Montelongo, Shuhua Ma, Jana Shen
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-lh0qp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An Automated and Lightweight Framework for Electrolyte Diagnostics using Quantitative Microelectrode Voltammetry

, Authors: Alexis M. Fenton, Jr., Bertrand J. Neyhouse, Kevin M. Tenny, Yet-Ming Chiang, Fikile R. Brushett
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2022-w5b99-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pore-networked membrane for trace-level molecular separations in environmental water

, Authors: Zaoming Wang, Idaira Pacheco-Fernández, James E. Carpenter, Takuma Aoyama, Guoji Huang, Ali Pournaghshband Isfahani, Behnam Ghalei, Easan Sivaniah, Kenji Urayama, Yamil. J. Colón, Shuhei Furukawa
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-zpgrm
 
Subject: Chemistry
,
Working Paper
, Title:

Systems chemistry of aminoacyl phosphates: Spontaneous and selective peptide oligomerisation in water driven by phase changes

, Authors: Kun Dai, Mahesh Pol, Lenard Saile, Arti Sharma, Bin Liu, Ralf Thomann, Johanna Trefs, Danye Qiu, Sandra Moser, Stefan Wiesler, Bizan Balzer, Thorsten Hugel, Henning Jessen, charalampos Pappas
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-lg3cw
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-d-occupancy as an alternative definition for the double-d-shell effect

, Authors: Matheus Morato Ferreira de Moraes, Yuri Alexandre Aoto
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-1bnjh
 
Subject: Chemistry
,
Working Paper
, Title:

Conducting polymer nanoparticles with intrinsic aqueous dispersibility for conductive hydrogels

, Authors: Joshua Tropp, Caralyn P. Collins, Xinran Xie, Rachel E. Daso, Abijeet Singh Mehta, Shiv P. Patel, Manideep M. Reddy, Sophia E. Levin, Cheng Sun, Jonathan Rivnay
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-q6bc0
 
Subject: Chemistry
,
Working Paper
, Title:

Nontarget Screening of Disinfection Byproducts in Treated Municipal Wastewater using Passive Sampling, GC×GC- TOFMS, and Advanced Data Analysis Tools

, Authors: Muhammad Usman Siddiqui, Muhammad Sibtain, Farrukh Ahmad, Yasuyuki Zushi, Deedar Nabi
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-s0ws7
 
Subject: Chemistry
,
Working Paper
, Title:

Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding

, Authors: Shreya Verma, Abhishek Mitra, Yu Jin, Soumi Haldar, Christian Vorwerk, Matthew R. Hermes, Giulia Galli, Laura Gagliardi
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-z0vxs
 
Subject: Chemistry
,
Review
, Title:

Designing electrodes and electrolytes for batteries by leveraging deep learning

, Authors: Chenxi Sui, Ziyang Jiang, Genesis Higueros, David Carlson, Po-Chun Hsu
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-jvfqq
 
Subject: Chemistry
,
Working Paper
, Title:

On Rational Design of Stereodivergent Organocatalysis Controlled by Selective Hydration

, Authors: Liuqun Gu
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-6vbvn
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical synthesis of gold-N-heterocyclic carbene complexes

, Authors: Thomas P. Nicholls, Zhongfan Jia, Justin M. Chalker
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-4ln4x
 
Subject: Chemistry
,
Working Paper
, Title:

Unprecedented selective synthesis of imines by photo-oxidative coupling under N2O atmosphere

, Authors: Oriane DELAUNAY, Audrey Denicourt-Nowicki, Alain Roucoux
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-d2d3k
 
Subject: Chemistry
,
Review
, Title:

A Review of Emerging Photo-Induced Degradation Methods for Per- and Polyfluoroalkyl Substances (PFAS) in Water

, Authors: Zulfikhar Ali, Sharma Yamijala, Bryan Wong
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-9jgs9
 
Subject: Chemistry
,
Working Paper
, Title:

Methanol assisted water electrooxidation on noble metal free perovskite: RRDE insight into the catalyst’s behaviour

, Authors: Shikha Dhakar, Sanchayita Mukhopadhyay, Musthafa Ottakam Thotiyl, Sudhanshu Sharma
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-wg3ws
 
Subject: Chemistry
,
Working Paper
, Title:

Shape-Assisted Self-Assembly of Hexa-Substituted Carpyridines into 1D Supramolecular Polymers

, Authors: Lucía Gallego, Joseph F. Woods, Rachele Butti, Piotr Szwedziak, Andreas Vargas Jentzsch, Michel Rickhaus
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-fbpmf
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of a tetramine-appended MOF for post-combustion CO2 capture from natural gas combined cycle flue gas by steam-assisted temperature swing adsorption

, Authors: Yogashree Bharath, Arvind Rajendran
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-gs8tg
 
Subject: Chemistry
,
Working Paper
, Title:

Dual Modification of Amyloid- Peptides by a Mononuclear Cobalt Complex and O2

, Authors: Jong-Min Suh, Wooyeol Ryu, Eunju Nam, Nam Kwon, Kyungmin Kim, Dongwook Kim, Jaeheung Cho, Kiyoung Park, Mi Hee Lim
Version undefined posted 07 July 2023
Posted
Jul 07, 2023
10.26434/chemrxiv-2023-xd8cx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking diabetic acetone vapor detection by a portable metal-organic framework-based optical sensor device

, Authors: Samraj Mollick, Sujeet Rai, Louis Frentzel-Beyme, Vishal Kachwal, Lorenzo Donà, Bartolomeo Civalleri, Sebastian Henke, Jin-Chong Tan
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-tzg5l
 
Subject: Chemistry
,
Working Paper
, Title:

Tailored Broad-Spectrum Emission in Hybrid Aggregation Induced Emission (AIE)-MOFs: Boosting White Light Efficiency in Electrospun Janus Microfibers

, Authors: Vishal Kachwal, Samraj Mollick, Jin-Chong Tan
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-d1tsj
 
Subject: Chemistry
,
Working Paper
, Title:

Assessment of essential information in the Fourier domain to accelerate Raman hyperspectral microimaging

, Authors: Laureen Coic, Raffaele Vitale, Myriam Moreau, David Rousseau, José Henrique de Morais Goulart, Nicolas Dobigeon, Cyril Ruckebusch
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-0m36t-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Measuring Tryptophan Dynamics Using Fast Scan Cyclic Voltammetry at Carbon Fiber Microelectrodes with Improved Sensitivity and Selectivity

, Authors: Isabella Schapira, Maggie O'Neill, Lillian Russo-Savage, Terdha Narla, Kathryn Laprade, James Stafford, Yangguang Ou
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2022-tfdn8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On the interactions between RNA and titrateable lipid layers: Implications for RNA delivery with lipid nanoparticles

, Authors: Jennifer Gilbert, Inna Ermilova, Marco Fornasier, Maximilian Skoda, Giovanna Fragneto, Jan Swenson, Tommy Nylander
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-27ndz-v2
 
Subject: Chemistry
,
Review
, Title:

Human and environmental safety of carbon nanotubes across their life cycle

, Authors: Mijin Kim, Dana Goerzen, Prakrit Jena, Jia Zeng, Rachel Meidl, Daniel Heller
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-psth7
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling propylene oxide formation in alkali metal batteries

, Authors: Daniel Stottmeister, Leonie Wildersinn, Julia Maibach, Andreas Hofmann, Fabian Jeschull, Axel Gross
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-6tsq4
 
Subject: Chemistry
,
Working Paper
, Title:

Fast, Efficient, Narrowband Room-Temperature Phosphorescence from Metal-Free 1,2-Diketones: Rational Design and Mechanism

, Authors: Yosuke Tani, Kiyoshi Miyata, Erika Ou, Yuya Oshima, Mao Komura, Morihisa Terasaki, Shuji Kimura, Takumi Ehara, Koki Kubo, Ken Onda, Takuji Ogawa
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-h17m5
 
Subject: Chemistry
,
Working Paper
, Title:

Methanol on the rocks: Green rust transformation promotes the oxidation of methane

, Authors: Orion Farr, Nil Gaudu, Gregoire Danger, Michael Russell, Daniel Ferry, Wolfgang Nitschke, Simon Duval
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-4z4n0
 
Subject: Chemistry
,
Working Paper
, Title:

Deaminative ring contraction for the synthesis of polycyclic heteroaromatics: a concise total synthesis of toddaquinoline

, Authors: Emily Kirkeby, Zachary Schwartz, Myles Lovasz, Andrew Roberts
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-mbznv
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Synthesis of Microtubule-Associated Protein Tau 2N4R

, Authors: Wyatt Powell, Ruiheng Jing, Maciej Walczak
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-js9bp
 
Subject: Chemistry
,
Working Paper
, Title:

Integrated bacterial cell lysis and DNA extraction using paper-based isotachophoresis – towards a versatile sample preparation module for point-of-care diagnostics

, Authors: Shruti Soni, Bhushan Toley
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-x6psc
 
Subject: Chemistry
,
Working Paper
, Title:

Laser Spectroscopic Characterization of Supersonic Jet Cooled 2,7-Diazaindole (27DAI)

, Authors: Simran Baweja, Bhavika Kalal, surajit Maity
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-3gcmq
 
Subject: Chemistry
,
Working Paper
, Title:

A ‘glyco-fluorine’ code revealing differential recognition by glycan binding partners

, Authors: Kristian Hollingsworth, Antonio Di Maio, Sarah-Jane Richards, Jean-Baptiste Vendeville, David E. Wheatley, Claire E. Council, Tessa Keenan, Helene Ledru, Harriet Chidwick, Huang Kun, Fabio Parmeggiani, Andrea Marchesi, Wengang Chai, Ryan McBerney, Tomasz P. Kaminski, Matthew R. Balmforth, Alexandra Tamasanu, Simon Charnock, Stuart L. Warriner, Michael E. Webb, Martin A. Fascione, Sabine Flitsch, M. Carmen Galan, Ten Feizi, Matthew I. Gibson, Yan Liu, W. Bruce Turnbull, Bruno Linclau
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.26434/chemrxiv-2023-4hn6k
 
Subject: Sociology
,
Working Paper
, Title:

Cricket-based betting and University students: A new income source or a curse for university students in Bangladesh?

, Authors: Md. Masudul Islam Khan
Version undefined posted 10 July 2023
Posted
Jul 10, 2023
10.33774/coe-2023-mb6xv
 
Subject: Chemistry
,
Working Paper
, Title:

Detection and Characterization of Rapidly Equilibrating Glycosylation Reaction Intermediates Using Exchange NMR

, Authors: Frank de Kleijne, Floor ter Braak, Dimitrios Piperoudis, Peter Moons, Sam Moons, Hidde Elferink, Paul White, Thomas Boltje
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-g1b52
 
Subject: Chemistry
,
Working Paper
, Title:

Stereoselective Polar Radical Crossover for the Functionalization of Strained-Ring Systems

, Authors: Florian Trauner, Rahma Ghazali, Jan Rettig, Christina M. Thiele, Dorian Didier
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-gc2s8
 
Subject: Chemistry
,
Working Paper
, Title:

S-Trideuteromethylation of Sulfenamides: Redox-Neutral Synthesis of Trideuteromethyl Sulfilimines

, Authors: Guoling Huang, Xunbo Lu
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-p1732
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical study and wavefunction analysis of cyclo[18]carbon-benzene dimer

, Authors: Fu Peng
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-0pv8j
 
Subject: Chemistry
,
Working Paper
, Title:

Development of an Al-Zn-Bi alloy sacrificial anode for the protection of steel in artificial Seawater: An electrochemical analysis

, Authors: Muhammad Haris Qureshi, Ameeq Farooq, Muhammad Wasim, Kashif Mairaj Deen
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-tmq4b
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid and Scalable Photocatalytic C(sp2)–C(sp3) Suzuki−Miyaura Cross-Coupling of Aryl Bromides with Alkyl Boranes

, Authors: Ting Wan, Luca Capaldo, Jonas Djossou, Angela Staffa, Felix de Zwart, Bas de Bruin, Timothy Noel
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-4g3xz
 
Subject: Chemistry
,
Working Paper
, Title:

Silver-Catalyzed Dearomative [2π+2σ] Cycloadditions of Indoles with Bicyclobutanes: Expedient Access to Indoline Fused Bicy-clo[2.1.1]hexanes

, Authors: Lei Tang, Yuanjiu Xiao, Feng Wu, Jin-Lan Zhou, Tong-Tong Xu, Jian-Jun Feng
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-qkzmk
 
Subject: Chemistry
,
Working Paper
, Title:

The Role of Benzothiadiazole Unit in Organic Polymers on Photocatalytic Hydrogen Production

, Authors: Martin Axelsson, Ziyang Xia, Sicong Wang, Ming Cheng, Haining Tian
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-z6vd7
 
Subject: Chemistry
,
Working Paper
, Title:

Multivariate Metal-Organic Frameworks based pH-responsive dual-drug delivery system for chemotherapy and chemodynamic therapy

, Authors: Muhammad Usman Akbar, Arslan Akbar, Umair Ali Khan Saddozai, Malik Ihsan Ullah Khan, Muhammad Zaheer, Muhammad Badar
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-rwvcx
 
Subject: Chemistry
,
Working Paper
, Title:

Disclosing Environmental Ligands of hL-FABP and PPARγ: Should We Re-evaluate the Chemical Safety of Hydrocarbon Surfactants?

, Authors: Yufeng Gong, Diwen Yang, Jiabao Liu, Holly Barrett, Jianxian Sun, Hui Peng
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2022-zjkjw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Serum Amine Profiling through Fluorine-Labeled 19F NMR Analysis

, Authors: Quynh Huong Duong, Eun-Jeong Kwahk, Jumi Kim, Hahyoun Park, Heyjin Cho, Hyunwoo Kim
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-1vhsc
 
Subject: Chemistry
,
Working Paper
, Title:

A simple triangular multi-redox pseudo-[6]oxocarbon capable of accepting up to six electrons

, Authors: Paweł Pakulski, Michał Magott, Szymon Chorazy, Marcin Sarewicz, Monika Srebro-Hooper, Dominika Tabor, Łukasz Łapok, Dariusz Szczepanik, Selvan Demir, Dawid Pinkowicz
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-06xkc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Flavin-Cytochrome Complexes Transfer Electrons among Shewanella oneidensis MR-1 Cells

, Authors: Yoshihide Tokunou, Hiromasa Tongu, Akihiro Okamoto, Masanori Toyofuku, Nobuhiko Nomura
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-xf4mt
 
Subject: Chemistry
,
Working Paper
, Title:

Origin-Independent Dynamic Polarizability Density from Coupled Cluster Response Theory

, Authors: Francesco Ferdinando Summa, Josefine H. Andersen, Paolo Lazzeretti, Stephan P. A. Sauer, Guglielmo Monaco, Sonia Coriani, Riccardo Zanasi
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-gqwkz
 
Subject: Chemistry
,
Working Paper
, Title:

Calcium L-Malate and D-Tartarate Frameworks as Adjuvants for the Sustainable Delivery of Fungicide

, Authors: Nurul Farhana Ahmad Aljafree, Mohamad Firdaus Ahmad, Umar Abd Aziz, Mostafa Yousefzadeh Borzehandani, Adila Mohamad Jaafar, Norhayu Asib, Ha Lac Nguyen, Mohamed Ibrahim Mohamed Tahir, Muhammad Alif Mohammad Latif, Kyle Cordova, Mohd Basyaruddin Abdul Rahman
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-szfgf
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Neocaesalpin A, AA, and Nominal Neocaesalpin K

, Authors: Erick Carreira, Sven Michael Papidocha, Hendrik Helmut Bulthaupt
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-mcsk2
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Total Syntheses of Cassane Furanoditerpenoids and their Stimulation of Cellular Respiration in Brown Adipocytes

, Authors: Erick Carreira, Hendrik Helmut Bulthaupt, Fabian Glatz, Sven Michael Papidocha, Chunyan Wu, Shawn Teh, Susanne Wolfrum, Lucia Balazova, Christian Wolfrum
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-gc0mg
 
Subject: Chemistry
,
Working Paper
, Title:

Dearomatization of Pyridines: Photochemical Skeletal Enlargement for the Synthesis of 1,2-Diazepines

, Authors: Elise Boudry, Flavien Bourdreux, Jérôme Marrot, Xavier Moreau, Clément Ghiazza
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-jjf8h
 
Subject: Chemistry
,
Working Paper
, Title:

Unprecedented Sesterterpenoids Orientanoids A‒C: Discovery, Bioinspired Total Synthesis and Antitumor Immunity

, Authors: Cheng-Yu Zheng, Jin-Xin Zhao, Chang-Hao Yuan, Xia Peng, Meiyu Geng, Jing Ai, Yao-Yue Fan, Jian-Min Yue
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-tmfpm
 
Subject: Chemistry
,
Working Paper
, Title:

Fast determination of weak protein-ligand affinities by STD NMR: The Reduced Dataset STD NMR approach (rd-STD NMR)

, Authors: Gabriel Rocha, Jonathan Ramírez-Cárdenas, Samuel Walpole, Ridvan Nepravishta, Carmen Ortiz, Jesús Angulo, Juan C. Muñoz-García
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-n7j7d
 
Subject: Chemistry
,
Working Paper
, Title:

A Hybrid Machine-Learning Approach to Predict the Site Selectivity of Iridium-Catalyzed Arene Borylation

, Authors: Eike Caldeweyher, Masha Elkin, Golsa Gheibi, Magnus Johansson, Christian Sköld, Per-Ola Norrby, John Hartwig
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2022-7qw68-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of fungal onoceroid triterpenoids through domainless enzyme-targeted global genome mining

, Authors: Jia Tang, Yudai Matsuda
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-f0z8n
 
Subject: Chemistry
,
Working Paper
, Title:

Cyclic(Alkyl)(Amino)Carbene Stabilized Gold Nanoparticles: Efficient Catalyst for Selective Electrochemical Reduction of CO2 to CO

, Authors: Moushakhi Ghosh, Paramita Saha, Sumit Roy, Pramod Pillai, Abhishek Dey, Shabana Khan
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-bfhnh
 
Subject: Chemistry
,
Working Paper
, Title:

Protein network centralities as descriptor for QM region construction in QM/MM simulations of enzymes

, Authors: Felix Brandt, Christoph Jacob
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-bm8lv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Stereoselective Alder-ene Reactions of Bicyclo[1.1.0]butanes: Facile Synthesis of Cyclopropyl- and Aryl-substituted Cyclobutenes

, Authors: Ayan Dasgupta, Subrata Bhattacharjee, Zixuan Tong, Avishek Guin, Ryan McNamee, Kirsten Christensen, Akkattu Biju, Edward Anderson
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-mrp3k
 
Subject: Chemistry
,
Review
, Title:

Preparing chaperone—client protein complexes for biophysical and structural studies

, Authors: Iva Sučec, Paul Schanda
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-rpn28
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Hydration Enabling High-Rate Aqueous Li-ion Batteries

, Authors: Leiting Zhang, Franziska Kühling, Agnes-Matilda Mattsson, Xu Hou, Gustav Ek, Thomas Dufils, Chao Zhang, William R. Brant, Kristina Edström, Erik J. Berg
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-gbb9x
 
Subject: Chemistry
,
Working Paper
, Title:

Water-soluble ionic carbon nitride as unconventional stabilizer for highly catalytically active ultrafine gold nanoparticles

, Authors: Mohamed M. Elnagar, Johannes Liessem, Changbin Im, Dariusz Mitoraj, Ludwig A. Kibler, Christof Neumann, Andrey Turchanin, Robert Leiter, Ute Kaiser, Timo Jacob, Igor Krivtsov, Radim Beranek
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-53bfx
 
Subject: Chemistry
,
Working Paper
, Title:

Fast Quantitative Validation of 3D Models of Low-Affinity Protein-Ligand Complexes by STD NMR Spectroscopy

, Authors: Ridvan Nepravishta, Jonathan Ramírez-Cárdenas, Gabriel Rocha, Samuel Walpole, Thomas Hicks, Juan Carlos Muñoz-García, Jesus Angulo
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2022-b7s0x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Comparative Quantum-Classical Dynamics of Natural and Synthetic Molecular Rotors Show How Vibrational Synchronization Modulates the Photoisomerization Quantum Efficiency

, Authors: Alejandro Blanco-Gonzalez, Madushanka Manathunga, Xuchun Yang, Massimo Olivucci
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-mncbr
 
Subject: Chemistry
,
Working Paper
, Title:

OpenMSCG: A Software Tool for Bottom-up Coarse-graining

, Authors: Yuxing Peng, Alexander J. Pak, Aleksander E. P. Durumeric, Patrick G. Sahrmann, Sriramvignesh Mani, Jaehyeok Jin, Timothy D. Loose, Jeriann R. Beiter, Gregory A. Voth
Version undefined posted 11 July 2023
Posted
Jul 11, 2023
10.26434/chemrxiv-2023-w0h1p
 
Subject: Chemistry
,
Working Paper
, Title:

Computational study on the action of saturated, monounsaturated and polyunsaturated fatty acids against Echinococcus granulosus EgFABP1

, Authors: Margot Paco-Chipana, Karel Mena-Ulecia, Yoan Hidalgo Rosa, Maria Isabel Herrera, Luis Daniel Goyzueta-Mamani, Berly Cárdenas-Pillco, Miguel Angel Chavez-Fumagalli, Haruna L. Barazorda-Ccahuana
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-z157s
 
Subject: Chemistry
,
Working Paper
, Title:

Bioinspired Total Synthesis of Hyperireflexolides A and B

, Authors: Andreas zur Bonsen, Christopher Sumby, Jonathan George
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-rtm7d
 
Subject: Chemistry
,
Working Paper
, Title:

Deconstructive diversification through C-C single bond cleavage

, Authors: Wei Liu, Yahao Huang, Miao Wang, Qiang Wu, Peng Hu
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-9sq84
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic understanding of the correlation between structure and dynamics of liquid carbonate electrolytes: Impact of polarization

, Authors: Moumita Maiti, Anand Narayanan Krishnamoorthy, Youssef Mabrouk, Nataliia Mozhzhukhina, Aleksandar Matic, Diddo Diddens, Andreas Heuer
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-c7n6m
 
Subject: Chemistry
,
Working Paper
, Title:

The affinity of amphiphilic molecules to air/water surface

, Authors: Chi Phan
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-4m365
 
Subject: Chemistry
,
Review
, Title:

Fake it until you make it? Generative De Novo Design and Virtual Screening of Synthesizable Molecules

, Authors: Megan Stanley, Marwin Segler
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-xw0pq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Short, Scalable Access to Pyrrovobasine

, Authors: Longhui Yu, Hugh Nakamura
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-x78jt
 
Subject: Chemistry
,
Working Paper
, Title:

Morphology of Organic/Inorganic Aerosol with Varying Seed Particle Water Content

, Authors: Emma Tackman, Devon Higgins, Murray Johnston, Miriam Freedman
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-91mfg
 
Subject: Chemistry
,
Working Paper
, Title:

Combining thermal scanning probe lithography and dry etching for grayscale nanopattern amplification

, Authors: Berke Erbas, Ana Conde-Rubio, Xia Liu, Joffrey Pernollet, Zenyu Wang, Arnaud Bertsch, Marcos Penedo, Georg Fantner, Mitali Banerjee, Andras Kis, Giovanni Boero, Juergen Brugger
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-x0r76
 
Subject: Chemistry
,
Working Paper
, Title:

Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-Polarizable Force Fields

, Authors: Jorge Nochebuena, Jean-Philip Piquemal, Shubin Liu, G. Andrés Cisneros
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-cjjs6
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning structural coloration through evanescent wave absorption at microscale concave interfaces

, Authors: Krista Hirsch, Nathaniel Sturniolo, Caleb Meredith, Malak Rayes, Lauren Zarzar
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-xvd0q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Anisotropic Dynamics of an Interfacial Enzyme Active Site Observed Using Tethered Substrate Analogs and Ultrafast 2D IR Spectroscopy

, Authors: Tayler D. Hill, Sunil Basnet, Hannah H. Lepird, Blaze Rightnowar, Sean D. Moran
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2022-1r1b8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying the effect of Si/Al ratio on proton solvation and water diffusion in H-FAU using reactive neural network potential.

, Authors: Indranil Saha, Andreas Erlebach, Petr Nachtigall, Christopher J. Heard, Lukáš Grajciar
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2022-d1sj9-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Electrostatic tuning of transmission in NbS2/WSe2 2D Lateral Hetero-Structures: A computational study

, Authors: Poonam Kumari, Zahra Golsanamlou, Alexander Smogunov, Luca Sementa, Alessandro Fortunelli
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-kx7wh-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Curbing chlorine disinfection byproduct formation with a biomimetic iron oxidation catalyst

, Authors: James N. McPherson, Freja Troj Larsen, Maja Juncher Lind, Christopher J. Miller, T. David Waite, Christine J. McKenzie, Frants R. Lauritsen
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-5q5zf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Droplet Flow Platform with Multiple Process Analytics Facilitates Flexible Reaction Optimization

, Authors: Florian Wagner, Peter Sagmeister, Clemens E. Jusner, Thomas G. Tampone, Vidhyadhar Manee, Frederic G. Buono, Jason D. Williams, C. Oliver Kappe
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-gb117
 
Subject: Chemistry
,
Working Paper
, Title:

Metabolic Labelling of DNA in Cells by Means of the “Photoclick” Reaction Triggered by Visible Light

, Authors: Hans-Achim Wagenknecht, Lisa Rieger, Bastian Pfeuffer
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-vn6ln
 
Subject: Chemistry
,
Review
, Title:

Biochemical transformations of inorganic nanomedicines in buffers, cell cultures and organisms

, Authors: Anna Neuer, Inge Herrmann, Alexander Gogos
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-z8wjk
 
Subject: Chemistry
,
Working Paper
, Title:

DFT Studies of Solvent Effect on the Strongly Coupled Vibrations of 4-Azidoacetanilide

, Authors: Sathya Perera, Lichang Wang
Version undefined posted 12 July 2023
Posted
Jul 12, 2023
10.26434/chemrxiv-2023-g1vvx
 
Subject: Chemistry
,
Working Paper
, Title:

Practical Synthesis and Functionalization of Thiophosphonium Salts: A Divergent Approach to Access Thioether, Thioester, and Dithioe-ster Derivatives

, Authors: Gurupada Hazra, Ahmad Masarwa
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-7zn5s
 
Subject: Chemistry
,
Working Paper
, Title:

Protecting Group-Free Synthesis of the Antimalaria Drug MMV693183

, Authors: Pankaj Khairnar, Sarah Aleshire, Ravikumar Ongolu, limei jin, Michael Laidlaw, Ryan Nelson, Kai Donsbach, Frank Gupton, Charles Shanahan
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-xd7tz
 
Subject: Chemistry
,
Working Paper
, Title:

The CN + C2H6 reaction. Dynamics study based on an analytical full-dimensional potential energy surface.

, Authors: Joaquin Espinosa-Garcia, Cipriano Rangel
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-pr8jn
 
Subject: Chemistry
,
Working Paper
, Title:

Peptide Bispecifics Inhibiting HIV-1 Infection by an Orthogonal Chemical and Supramolecular Strategy

, Authors: Dominik Schauenburg, Fabian Zech, Astrid Johanna Heck, Pascal von Maltitz, Mirja Harms, Siska Führer, Nico Alleva, Jan Münch, Seah Ling Kuan, Frank Kirchhoff, Tanja Weil
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-7c5g6
 
Subject: Chemistry
,
Working Paper
, Title:

A semi-automated, high-throughput approach for the synthesis and identification of highly photo-cytotoxic iridium complexes

, Authors: Ramon Vilar, Timothy Kench, Arielle Rahardjo, Adinarayana Bellamkonda, Thomas E. Maher, Marko Storch
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-rt8kr
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the complex structure of molten FLiBe (2LiF−BeF2) by experimental x-ray scattering, neutron scattering, and deep neural network-based molecular dynamics

, Authors: Sean Fayfar, Rajni Chahal, Haley Williams, D. Nathanael Gardner, Guiqiu Zheng, David Sprouster, Joerg Neuefeind, Dan Olds, Andrea Hwang, Joanna Mcfarlane, Ryan C. Gallagher, Mark Asta, Stephen Lam, Raluca O. Scarlat, Boris Khaykovich
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-0mq0h
 
Subject: Chemistry
,
Working Paper
, Title:

Effectiveness and limitation of the performance prediction of perovskite solar cells by process informatics

, Authors: Ryo Fukasawa, Toru Asahi, Takuya Taniguchi
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-0xqkw
 
Subject: Chemistry
,
Working Paper
, Title:

Photovoltaic Wafering Silicon Kerf Loss as Raw Material: Example of Negative Electrode for Lithium-Ion Battery

, Authors: Mads C. Heintz, Jekabs Grins, Aleksander Jaworski, Gunnar Svensson, Thomas Thersleff, William R. Brant, Rebecka Lindblad, Andrew J. Naylor, Kristina Edström, Guiomar Hernández
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-fphj8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning the Emission and Exciton Utilization Mechanisms of Pyrazine-Based Multi-Carbazole Emitters and their use in Organic Light-Emitting Diodes

, Authors: Dongyang Chen, Le Zhang, Tomas Matulaitis, David Cordes, Alexandra Slawin, Xiao-Hong Zhang, Ifor Samuel, Eli Zysman-Colman
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-kq61s
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Design of an Electro-Organocatalyst for Conversion of CO2 into Long Chain Aldehydes

, Authors: Foroogh Khezeli, Craig Plaisance
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-db02b
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Electrochemical Evolution of Alloy Interfacial Layers in Anode-Free Solid-State Batteries

, Authors: Stephanie Sandoval, John Lewis, Bairav Vishnugopi, Douglas Nelson, Matthew Schneider, Francisco Cortes, Christopher Matthews, John Watt, Mengkun Tian, Pavel Shevchenko, Partha Mukherjee, Matthew McDowell
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-b9x1p-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-Light-Mediated aza Paternò-Büchi Reaction of Acyclic Oximes and Alkenes for the Synthesis of Monocyclic Azetidines

, Authors: Corinna Schindler, Heather Kulik, Emily Wearing, Yu-Cheng Yeh, Gianmarco Terrones, Seren Parikh, Ilia Kevlishvili
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-x76xj
 
Subject: Chemistry
,
Working Paper
, Title:

On the mechanism of the peroxide epoxidation of olefins: A bond interaction perspective

, Authors: Yuji Naruse, Takuya Kosugi
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-bf887
 
Subject: Chemistry
,
Working Paper
, Title:

Pd-Catalyzed picolinamide directed late-stage chalcogenation of tryp-tophan containing peptides

, Authors: Nagendra Sharma, Raghunath Bag
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-25b7m
 
Subject: Chemistry
,
Working Paper
, Title:

Osmolytes as Cryoprotectants Under Salt Stress

, Authors: Susmita Sarkar, Anku Guha, Rayantan Sadhukhan, Tharangattu N Narayanan, Jagannath Mondal
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-jj08f
 
Subject: Chemistry
,
Working Paper
, Title:

Promiscuous yet specific: a methionine-aromatics interaction drives the reaction scope of the family 1 glycosyltransferase GmUGT88E3 from soybean.

, Authors: Ruben Marcel de Boer, Dan Ethan Herlev Hvid, Elisa Davail, Dovydas Vaitkus, Jens Øllgaard Duus, Ditte Hededam Welner, David Teze
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-1sq4z
 
Subject: Chemistry
,
Working Paper
, Title:

SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes

, Authors: Adam Pecina, Jindřich Fanfrlík, Martin Lepšík, Jan Řezáč
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-zh03k
 
Subject: Chemistry
,
Working Paper
, Title:

Molten Salt Synthesis of Multi-Faceted Pure-Phase Spinel LiNi0.5Mn1.5O4 Platelets

, Authors: Gozde Oney, Jacob Olchowka, Arnaud Demortière, François Weill, Laurence Croguennec
Version undefined posted 13 July 2023
Posted
Jul 13, 2023
10.26434/chemrxiv-2023-1hhg9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Liposomes and Lipid Droplets Display a Reversal of Charge-Induced Hydration Asymmetry

, Authors: Saranya Pullanchery, Nathan Dupertuis, Tereza Schönfeldová, Sylvie Roke
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-137mn
 
Subject: Chemistry
,
Working Paper
, Title:

Suppressing catalyst poisoning in the carbodiimide-fueled reaction cycle

, Authors: Job Boekhoven, Xiaoyao Chen, Héctor Soria-Carrera, Oleksii Zozulia
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-v8v53
 
Subject: Chemistry
,
Working Paper
, Title:

Fjord-Type AIEgens Based on Inherent Through-Space Conjugation

, Authors: Yeqiang Han, Yuan Xie, Jianyu Zhang, Shiyu Tan, Haoke Zhang, Ben Zhong Tang, Jonathan L. Sessler, Feihe Huang
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-l1t9c
 
Subject: Chemistry
,
Working Paper
, Title:

Melt electrowriting of nylon-12 microfibers with an open-source 3D printer

, Authors: Ander Reizabal, Brenna Devlin, Naomi Paxton, Paula Saiz, Ievgenii Liashenko, Simon Luposchainsky, Maria Woodruff, Senentxu Lanceros-Mendez, Paul Dalton
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-0vq59
 
Subject: Chemistry
,
Working Paper
, Title:

Size-Dependent Optical Properties of InP Colloidal Quantum Dots

, Authors: Guilherme Almeida, Lara Poll, Wiel Evers, Emma Szoboszlai, Sander Vonk, Freddy Rabouw, Arjan Houtepen
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-xbbzv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling the Configurational Landscape of Carbamate: Paving the Way for Designing Functional Sequence-Defined Polymers

, Authors: Ariel F. Perez Mellor, Johanna Brazard, Sara Kozub, Thomas Bürgi, Roza Szweda, Takuji B. M. Adachi
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-zj5q4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Indium – Polycarboxylic Acid Ligand Interactions Modify InP Quantum Dot Nucleation and Growth

, Authors: Helen Larson, Brandi Cossairt
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-cz9k2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Removal of diclofenac by adsorption process studied in free-base porphyrins Zr-metal organic frameworks (Zr-MOFs)

, Authors: Nicholaus Prasetya, Christof Wöll
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-7ljfz
 
Subject: Chemistry
,
Working Paper
, Title:

AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations

, Authors: Mark A. Hix, Alice R. Walker
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-4cbwb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Taylor-dispersion induced phase separation for the efficient characterisation of protein condensate formation

, Authors: Rasmus Norrild, Thomas Mason, Lars Boyens-Thiele, Soumik Ray, Joachim Mortensen, Anatol Fritsch, Juan Iglesias-Artola, Louise Klausen, Emil Stender, Henrik Jensen, Alexander Buell
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-1ztrt
 
Subject: Chemistry
,
Working Paper
, Title:

Finite difference representation of information-theoretic approach in density functional theory

, Authors: Chunna Guo, Meng Li, Chunying Rong, Shubin Liu
Version undefined posted 14 July 2023
Posted
Jul 14, 2023
10.26434/chemrxiv-2023-6gdwh
 
Subject: Economics
,
Working Paper
, Title:

Realising the social value of impermanent carbon credits

, Authors: Andrew Balmford, Srinivasan Keshav, Frank Venmans, David Coomes, Ben Groom, Anil Madhavapeddy, Thomas Swinfield
Version undefined posted 15 July 2023
Posted
Jul 15, 2023
10.33774/coe-2023-5v93l-v5
 
Subject: Law
,
Working Paper
, Title:

THE RIGHT OF PRISONERS TO VOTE IN NIGERIA: ANALYZING THE JOURNEY SO FAR

, Authors: Ubose Osoname Olorunfemi, Eguono Olorunfemi
Version undefined posted 15 July 2023
Posted
Jul 15, 2023
10.33774/coe-2023-81qhp
 
Subject: Chemistry
,
Working Paper
, Title:

The Role of Oxygen in Automotive Grade Lithium-Ion Battery Cathodes: An Atomistic Survey of Ageing

, Authors: Anastasiia Mikheenkova, Soham Mukherjee, Moritz Hirsbrunner, Pontus Törnblom, Cheuk-Wai Tai, Carlo U. Segre, Yujia Ding, Wenliang Zhang, Tegun Citra Asmara, Yuan Wei, Thorsten Schmitt, Håkan Rensmo, Laurent Duda, Maria Hahlin
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-bxnnl
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the Structural Evolution of Electrode/Electrolyte Interphase Formation during Magnesium Plating and Stripping with operando EQCM-D

, Authors: Benjamin W. Schick, Xu Hou, Viktor Vanoppen, Matthias Uhl, Matthias Kruck, Erik J. Berg, Timo Jacob
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-4z3jc
 
Subject: Chemistry
,
Working Paper
, Title:

Stereochemical Elucidation of Neohomohalichondrin B (aka Halistatin 3)

, Authors: Harry Aitken, Yoshito Kishi
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-63w8z
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Neohomohalichondrin B

, Authors: Harry Aitken, Rachelle Quach, Yoshito Kishi
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-zzj3f
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Copper-Catalyzed Thiopyridyl Ester Synthesis and Application to the Total Synthesis of Halichondrin B 1020

, Authors: Harry Aitken, Seyedmorteza Hosseyni, Rachelle Quach, Yoshito Kishi
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-9z6k3
 
Subject: Chemistry
,
Working Paper
, Title:

Droplet-based µChopper device with a 3D-printed pneumatic valving layer and a simple photometer for absorbance based fructosamine quantification in human serum

, Authors: Yvette Kayirangwa, Md Mohibullah, Christopher Easley
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-mnnqb
 
Subject: Chemistry
,
Working Paper
, Title:

Real-time single-molecule monitoring and control of nanoparticle formation

, Authors: Yujie Guo, Vivien Walter, Steven Vanuytsel, Christopher Parperis, Jason Sengel, Eve Weatherill, Mark Wallace
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-20hd2-v3
 
Subject: Chemistry
,
Review
, Title:

Equivariant Graph Neural Networks for Toxicity Prediction

, Authors: Julian Cremer, Leonardo Medrano Sandonas, Alexandre Tkatchenko, Djork-Arne Clevert, Gianni de Fabritiis
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-9kb55-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding and Control of Zener Pinning via Phase Field and Ensemble Learning

, Authors: Sukriti Manna, Henry Chan, Avishek Ghosh, Tamoghna Chakraborti, Subramanian Sankaranarayanan
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-npjhq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Nature of the amorphous-amorphous interfaces in solid-state batteries revealed using machine-learned interatomic potentials

, Authors: Chuhong Wang, Muratahan Aykol, Tim Mueller
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-frr79-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Investigations Complement Experiment for a System of Non-Covalently Bound Asphaltene Model Compounds

, Authors: Nathanael J. King, Alex Brown
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-9dmck-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A light touch: solar photocatalysis detoxifies oil sands process-affected waters prior to significant treatment of naphthenic acids or acid extractable organics

, Authors: Timothy M. C. Leshuk, Zachary W. Young, Brad Wilson, Zi Qi Chen, Danielle Smith, Greg Lazaris, Mary Gopanchuk, Sean McLay, Corin Seelemann, Theo Paradis, Asfaw Bekele, Rodney Guest, Hafez Massara, Todd White, Warren Zubot, Daniel J. Letinski, Aaron D. Redman, D. Grant Allen, Frank Gu
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-s6qg4
 
Subject: Chemistry
,
Working Paper
, Title:

Determining and controlling conformational information from orientationally selective Light-Induced Triplet–Triplet Electron Resonance spectroscopy for a set of bis-porphyrin rulers

, Authors: Arnau Bertran, Marta De Zotti, Christiane Timmel, Marilena Di Valentin, Alice Bowen
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-1823h
 
Subject: Chemistry
,
Working Paper
, Title:

Surveying the Conformational Landscape of α-Synuclein Using Native Crosslinking, Ion Mobility-Mass Spectrometry and Ensemble Modeling

, Authors: Melanie Cheung See Kit, Ian Webb
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-bb6p4
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Sterically Protective Groups on the Aromaticity of Fully Unsaturated Oligoquinanes

, Authors: Junpeng Zhuang, Kyle Plunkett, Lichang Wang
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-155w8
 
Subject: Chemistry
,
Working Paper
, Title:

What Does the Accuracy of the Equilibrium Dissociation Constant of Affinity Complexes Depend on Fundamentally?

, Authors: Tong Wang, Hongchen Ji, Daniel Everton, An Le, Svetlana Krylova, René Fournier, Sergey Krylov
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-wkjt4
 
Subject: Chemistry
,
Working Paper
, Title:

Pressure-Responsive Polymer Chemosensors for Hydrostatic Pressure-Signal Detection: Poly-L-Lysine-Pyrene Conjugates

, Authors: Soshi Wakako, Yumiko Hori, Tomokazu Kinoshita, Takao Saiki, Xinyi Qi, Koki Hasegawa, Yoshitane Imai, Tadashi Mori, Keiichi Nakagawa, Gaku Fukuhara
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-ft59l
 
Subject: Chemistry
,
Working Paper
, Title:

Chemisorption model for atoms and molecules on doped semiconducting oxides

, Authors: Abhinav S. Raman, Colin Lehman-Chong, Aleksandra Vojvodic
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-nrhjf
 
Subject: Chemistry
,
Working Paper
, Title:

Sulfonium Cation in the Service of π-Acid Catalysis

, Authors: Ruiping Li, Mohammad Zafar, David Danovich, Vasudevan Subramaniyan, Francoise Tibika, Yuri Tulchinsky
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-gh0w9
 
Subject: Chemistry
,
Working Paper
, Title:

Critical Assessment of pH-Dependent Lipophilic Profiles of Small Molecules for Drug Design: Which One Should We Use and In Which Cases?

, Authors: Esteban Bertsch Aguilar, Sebastián Suñer Sánchez, Silvana Pinheiro, William J. Zamora Ramírez
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-54gv8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Structural Diversity of Novel 3-Substituted Coumarins as Potent Inhibitors of Tumor-Associated Carbonic Anhydrases: Expanding the Pharmacological Space for Anticancer Drug Discovery

, Authors: Islam Matar, Sami Al-Hussain, Zeinab Muhammad, Magdi Zaki, Sobhi Gomha, Ahmed El-khouly
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-mdk6g
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring reproducible non-aqueous scanning droplet cell electrochemistry in model battery chemistries

, Authors: Alexey Sanin, Helge Sören Stein
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-t39wm
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-stage heterogeneous bubble nucleation under negative pressures

, Authors: Anirban Chandra, Harrison Lee, Shekhar Garde, Pawel Keblinski
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-vlb3f
 
Subject: Chemistry
,
Working Paper
, Title:

Derivation of Morse Potential Function

, Authors: Amir Mirzanejad, Sergey Varganov
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-7mzkw
 
Subject: Chemistry
,
Working Paper
, Title:

Multielectron Bond Cleavage Processes Enabled by Redox-Responsive Phosphinimide Ligands

, Authors: Charles Winslow, Paul Rathke, Jonathan Rittle
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-0jsh8
 
Subject: Chemistry
,
Working Paper
, Title:

Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster

, Authors: Daniel Wilson, Majed Fataftah, Zachary Mathe, Brandon Mercado, Serena DeBeer, Patrick Holland
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-cfb11
 
Subject: Chemistry
,
Working Paper
, Title:

T1 Anisotropy Elucidates Spin Relaxation Mechanisms in an S = 1 Cr(IV) Optically Addressable Molecular Qubit

, Authors: Nathanael Kazmierczak, Kaitlin Luedecke, Elisabeth Gallmeier, Ryan Hadt
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-87kzx
 
Subject: Chemistry
,
Working Paper
, Title:

Concise synthesis of (±)-fortuneicyclidins and (±)-cephalotine B enabled by Pd-catalyzed dearomative spirocyclization

, Authors: Yota Uwabe, Kei Muto, Junichiro Yamaguchi
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-jx26c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental and Computational Study of Solid Solutions Formed between Substituted Nitrobenzoic Acids

, Authors: Kristaps Saršūns, Artis Kons, Toms Rekis, Agris Bērziņš
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.26434/chemrxiv-2023-5mk91-v2
 
Subject: Mathematics
,
Working Paper
, Title:

An Exposition of Polygonal Approximation of Circle

, Authors: Palash Khanra
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.33774/coe-2022-15hch-v3
 
Subject: Engineering
,
Working Paper
, Title:

Integrated Long-Term Expansion Planning and Short-Term Operation Assessment for Decarbonisation Pathways in Brazil Considering Utility-Scale Storage

, Authors: Bruno Borba, Leonardo Bitencourt, Pedro Peters, Maycoln Oliveira, Rudolf Yeganyan, Carla Cannone, Mark Howells, Bruno Dias
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.33774/coe-2023-s7dxh
 
Subject: Mathematics
,
Working Paper
, Title:

Ellipses and hyperbolas of decomposition of even numbers into pairs of prime numbers

, Authors: Gennady Butov
Version undefined posted 17 July 2023
Posted
Jul 17, 2023
10.33774/coe-2023-c7hjw
 
Subject: Chemistry
,
Working Paper
, Title:

Stereochemistry and Total Synthesis of Neonorhalichondrin B

, Authors: Rachelle Quach, Harry Aitken, Yoshito Kishi
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-t157c
 
Subject: Chemistry
,
Working Paper
, Title:

Tsallis q-Gaussian function as fitting lineshape for Graphite Raman bands

, Authors: Amelia Carolina Sparavigna
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-bwnmw
 
Subject: Chemistry
,
Working Paper
, Title:

Emerging Materials and Design Principles for Wurtzite-type Ferroelectrics

, Authors: Cheng-Wei Lee, Naseem Ud Din, Keisuke Yazawa, Geoff L Brennecka, Andriy Zakutayev, Prashun Gorai
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-hf60w
 
Subject: Chemistry
,
Working Paper
, Title:

The development of the MiniXtruder: a low-cost laboratory scale filament extruder with reduced internal dead volume for 3D Printing

, Authors: Bruno C. Sil, John Frost, Zaid Muwaffak, Queenie Wong, Matthew R. Penny, Stephen Hilton
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-0s2tq
 
Subject: Chemistry
,
Working Paper
, Title:

Transforming carbon-intensive coal-fired power plants into negative emission technologies via biomass-fired calcium looping retrofit

, Authors: Dawid Piotr Hanak
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-01m2k
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative Structure-Property Relationships (QSPR) to Predict Surface Tension and Electrical Conductivity of Ionic Liquid Propellants

, Authors: Daniel Yos, Steven D. Chambreau, Debasis Sengupta, David A. Newsome, Ghanshyam L. Vaghjiani
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-31gbl
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Reduction of N2O with a Molecular Copper Catalyst

, Authors: Jorge Martinez, Joseph Schneider, Sophie Anferov, John Anderson
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-szh2c
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering the existence of hexagonal sodium zirconate CO2 sorbent

, Authors: Ribooga Chang, Ocean Cheung, Ashok Menon, Erik Svensson Grape, Peter Broqvist, Andrew Ken Inge
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-4c69m
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular-Orbital Framework of Two-Electron Processes: Application to Auger and Intermolecular Coulomb Decay.

, Authors: Nayanthara Karippara Jayadev, Wojciech Skomorowski, Anna. I. Krylov
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-4l9cz
 
Subject: Chemistry
,
Working Paper
, Title:

The chemical metamorphosis of taxane diterpenes by synthetic design

, Authors: Lu Pan, Fabian Schneider, Moritz Ottenbruch, Rainer Wiechert, Tatjana List, Philipp Schoch, Bastian Mertes, Tanja Gaich
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-m9tzh
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Compatibilization, Macro-, and Microphase Separation of Hetero-Associative Polymers

, Authors: Scott Danielsen
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-ptp09-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning morphology, stability and optical properties of CsSnBr3 nanocrystals through bismuth doping for visible-light-driven applications

, Authors: Md Asif Adib, Fahmida Sharmin, Mohammed Basith
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-dk9sn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Resonance Theory and Quantum Dynamics Simulations of Vibrational Polariton Chemistry

, Authors: Wenxiang Ying, Pengfei Huo
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-nr7rw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-Metal Cooperation Enables Net C–C Activation Cross-Coupling Reactivity of Cyclopropyl Ketones

, Authors: Michael Gilbert, Michael Trenerry, Victoria Longley, Anthony Castro, John Berry, Daniel Weix
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2021-hjdbr-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Potential of Mean Force Calculation Using Non-Uniform Sampling Windows for Optimal Computational Efficiency

, Authors: Naveen Kumar Vasudevan, Dongyang Li, Li Xi
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-h0bmt
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering the Mitochondrial Viscosity and Interplay Between Mitochondria and Plasma Membrane Using Far Red-emitting Molecular Rotor

, Authors: Akshay Silswal, Anup Pramanik, Apurba Lal Koner
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-gzs6g
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid PROTAC discovery platform: nanomole scale array synthesis and direct screening of reaction mixtures to facilitate the expedited discovery and follow-up of PROTAC hits.

, Authors: Mateusz Plesniak, Emilia K. Taylor, Frederik Eisele, Christopher M. B. K. Kourra, Iacovos Michaelides, Alice Oram, Johan Wernevik, Zulma Santisteban-Valencia, Hannah Rowbottom, Nadia Mann, Linda Fredlund, Valentyna Pivnytska, Anna Noven, Mohammad Pirmoradian, Thomas Lundback, R. Ian Storer, Mariell Pettersson, Gian Marco De Donatis, Marie Rehnstrom
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-dz9l7
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling the chemical underpinnings behind the enhanced adsorption interaction of NO2 on MoS2, MoSe2, and MoTe2 transition metal dichalcogenides

, Authors: Maciej Jan Szary, Piotr Radomski
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-x8pjt
 
Subject: Chemistry
,
Working Paper
, Title:

Proline-Aromatic Sequences Stabilize Turns via C–H/π interactions in both cis-Proline and trans-Proline

, Authors: Himal K. Ganguly, Michael B. Elbaum, Neal J. Zondlo
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-7nb44
 
Subject: Chemistry
,
Working Paper
, Title:

Graph comparison of molecular crystals in band gap prediction using neural networks

, Authors: Takuya Taniguchi, Mayuko Hosokawa, Toru Asahi
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2022-q426t-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Towards a New Taxonomy of Democracy

, Authors: Johan Nilsson
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.33774/coe-2023-jd8ll
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Aggregate Shape and Exciton Location on Polarization Energy of Benzene and Anthracene Aggregates

, Authors: Thomas Testoff, Lichang Wang
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-89dr5
 
Subject: Chemistry
,
Working Paper
, Title:

Neighbor List Artifacts in Molecular Dynamics Simulations

, Authors: HYUNTAE KIM, Balázs Fábián, Gerhard Hummer
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-zbj6j
 
Subject: Chemistry
,
Working Paper
, Title:

Hypothetical pathways on glycoRNA biochemistry

, Authors: Santiago Alonso-Gil
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-prxbh
 
Subject: Chemistry
,
Working Paper
, Title:

Application of Chiral Transfer Reagents to Improve Stereoselectivity and Yields in the Synthesis of the Anti-Tuberculosis Drug Bedaquiline

, Authors: Juliana Robey, Sanjay Maity, Sarah Aleshire, Angshuman Ghosh, Ajay Yadaw, Subho Roy, Sarah Mear, Timothy Jamison, Gopal Sirasani, Chris Senanayake, Rodger Stringham, B. Frank Gupton, Kai Donsbach, Ryan Nelson, Charles Shanahan
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-z8thj
 
Subject: Chemistry
,
Working Paper
, Title:

Energy Management and Economic Considerations of Intermittent Photovoltaic-Driven Electrochemical Ammonia Production

, Authors: Sai Varanasi, Carlos Fernandez, Marta Hatzell
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-sdcdc
 
Subject: Chemistry
,
Working Paper
, Title:

Manifold Projection Image Segmentation for Nano-XANES Imaging

, Authors: Samantha Tetef, Ajith Pattammattel, Yong Chu, Maria Chan, Gerald Seidler
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-w4821
 
Subject: Chemistry
,
Working Paper
, Title:

Cine Substitution of N-Sulfonylindoles

, Authors: Alon Agua, Michael Pirrung
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-rxmz4
 
Subject: Chemistry
,
Working Paper
, Title:

The Fallacy of Hyaluronic Acid Binding a Thousand Times Its Weight In Water

, Authors: Scott Borchers, Michael Pirrung
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-r728q
 
Subject: Chemistry
,
Working Paper
, Title:

Near-infrared spatially-resolved spectroscopy for milk quality analysis

, Authors: Jose Antonio Diaz-Olivares, Martin Julius Gote, Wouter Saeys, Ines Adriaens, Ben Aernouts
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-kswct
 
Subject: Chemistry
,
Working Paper
, Title:

Inverse Design of Porous Materials: A Diffusion Model Approach

, Authors: Junkil Park, Aseem Partap Singh Gill, Seyed Mohamad Moosavi, JIHAN KIM
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-bkt80
 
Subject: Chemistry
,
Working Paper
, Title:

Description of solvatochromism of peak broadening in absorption spectra in solution using the reference interaction site model self-consistent fields spatial electron density distribution

, Authors: Naoki Negishi, Daisuke Yokogawa
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-xdwlb
 
Subject: Chemistry
,
Working Paper
, Title:

Transmembrane transport by platinum-based metal-organic anionophores

, Authors: Patrick Wang, Mohamed Fares, Xin Wu, William Lewis, Stephen Loeb, Lauren Macreadie, Philip Alan Gale
Version undefined posted 18 July 2023
Posted
Jul 18, 2023
10.26434/chemrxiv-2023-bhzjb
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Social Capital, Institutional Rules, and Constitutional Amendment Rates

, Authors: William Blake, Joseph Cozza, David Armstrong, Amanda Friesen
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.33774/apsa-2021-kcnvt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Basic residues at position 11 of α-conotoxin LvIA influence subtype selectivity between α3β2 and α3β4 nicotinic receptors via an electrostatic mechanism

, Authors: Yves Haufe, Veeresh Kuruva, Ziyana Samanani, Guy Kamnesky, Gonxhe Lokaj, Pranavkumar Shadarmarshan, Rezvan Shahoei, Dana Katz, Jared Sampson, Michael Pusch, Ashraf Brik, Annette Nicke, Abba Leffler
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-00p0k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric [4+2]-cycloaddition of Anthracene Derivatives via Hydrazone Activation

, Authors: Beata Łukasik, Jakub Ossowski, Sebastian Frankowski, Łukasz Albrecht
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-fgz7f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Departure from Randomness: Evolution of Self-Replicators that can Self-Sort through Steric Zipper Formation

, Authors: Marcel Eleveld, Juntian Wu, Kai Liu, Jim Ottelé, Omer Markovitch, Armin Kiani, Sijbren Otto
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-rml0m
 
Subject: Chemistry
,
Working Paper
, Title:

Functionalization of Dodecaborates by Mild and Efficient Pd-Catalyzed Formation of B-C Bonds with Boronic Acids

, Authors: Mahmoud K. Aljoumhawy, Jui-Chi Chang, Khaleel I. Assaf, Detlef Gabel
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-pctrl
 
Subject: Chemistry
,
Working Paper
, Title:

A wash-free ER marker to monitor micropolarity during ER stress and visualize ER- Golgi transport

, Authors: Tanoy Dutta, Aditya Nigam, Shilpi Minocha, Apurba Lal Koner
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-q02rx
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding Bioactive Fragment Space with the Generated Database GDB-13s

, Authors: Ye Buehler, Jean-Louis Reymond
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-n48g3
 
Subject: Chemistry
,
Working Paper
, Title:

Catalysis as a Robust Feature and Catalytic Promiscuity as a Recurrent Trait in Peptide Based Self-Replicators

, Authors: Paul R. Adamski, Marcel J. Eleveld, Jasper Bos, Kirill Mikhailov, Armin Kiani, Jim Ottelé, Sijbren Otto
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-k45px
 
Subject: Chemistry
,
Working Paper
, Title:

Combined Imaging and Chromatic Confocal Microscopy Technique to Characterize Size and Shape of Ensembles of Cuboidal Particles

, Authors: Petros Neoptolemou, Thomas Vetter, Aurora Cruz-Cabeza, Ashwin Kumar Rajagopalan
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-nw1hs
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of Unknown Inverted Singlet-Triplet Cores by High--Throughput Virtual Screening

, Authors: Omer Omar, Xiaoyiu Xie, Alessandro Troisi, Daniele Padula
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-h7tsp-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Multigram synthesis of stellane 1,5-dicarbonic acid as a key precursor for the ortho-benzene mimics

, Authors: Oleh Smyrnov, Kostiantyn Melnykov, Eduard Rusanov, Sergey Suikov, Olexandr Pashenko, Andrey Fokin, Dmytro Volochnyuk, Serhiy Ryabukhin
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-64vxm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unified roadmap for ZIF-8 Nucleation and Growth: Machine Learning Analysis of Synthetic Variables and their Impact on Particle Size and Morphology

, Authors: Juan A Allegretto, Diego Onna, Laura Acion, Sara A Bilmes, Omar Azzaroni, Matías Rafti
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-6181f
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Centrality of Boron-Containing Complexes in α-Hydroxy C–H Alkylation of Alcohols Promoted by Photoredox and Hydrogen Atom Transfer Catalysis

, Authors: Seth Cowan, Anas Ansari, Matthew Ross, Courtney Glenn, Margaret Hilton
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-6ttgx
 
Subject: Chemistry
,
Working Paper
, Title:

A Nanocavitation Approach to Understanding Water Capture, Water Release, and Framework Physical Stability in Hierarchically Porous MOFs

, Authors: Jian Liu, Jesse Prelesnik, Roshan Patel, Boris Kramar, Rui Wang, Christos Malliakas, Lin Chen, J. Ilja Siepmann, Joseph Hupp
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-rvvfr
 
Subject: Chemistry
,
Working Paper
, Title:

Systematic investigation of the mechanocatalytic partial depolymerization of cellulose towards oligomeric glycans

, Authors: Gregor Meyer, Dominique Lumpp, Anne-Kathrin Stulik, Dagmar Hoffmann, Marcus Rose
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-75wd5
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Fluorination Degree of Ether-Based Electrolyte Solvent on Li-metal Battery Performance

, Authors: Yangju Lin, Zhiao Yu, Weilai Yu, Sheng-Lun Liao, Zhuojun Huang, Yuelang Chen, Elizabeth Zhang, Jian Qin, Yi Cui, Zhenan Bao
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-ppgxg
 
Subject: Chemistry
,
Working Paper
, Title:

Convergence of Time-Derivative Non-Adiabatic Couplings in Plane-Wave DFT Calculations

, Authors: Alva Dillon, Rebecca Gieseking
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-zxldx
 
Subject: Chemistry
,
Working Paper
, Title:

Searching for heritability in prebiotically realistic membrane-bound systems

, Authors: Tymofii Sokolskyi, Pavani Ganju, Ronan Montgomery-Taylor, David Baum
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-sxjng
 
Subject: Chemistry
,
Review
, Title:

Aging Hallmarks and Anti-aging Strategies: A Landscape of Research Advancement

, Authors: Rumiana Tenchov, Janet Sasso, Xinmei Wang, Qiongqiong Angela Zhou
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-smwj6
 
Subject: Chemistry
,
Working Paper
, Title:

Non-Destructive Measurement of Optically Scattering Polymer Films Using Image Processing

, Authors: Noah McAllister, Robert Green-Warren, Maxim Arkhipov, Jae-Hwang Lee, Assimina Pelegri, Jonathan Singer
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-88szt
 
Subject: Chemistry
,
Working Paper
, Title:

Stretch, Catalyze, Morph: Harnessing Enzyme-Enabled Mechano-Response in Hydrogels

, Authors: Lifei Zheng, Kuan Zhang, Yu Zhou, Junsheng Zhang, Qing Liu, Christina Hanenberg, Ahmed Mourran, Xin Wang, Xiang Gao, Yi Cao, Andreas Herrmann
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-v6t5v
 
Subject: Chemistry
,
Working Paper
, Title:

Combined Data-driven and Mechanism-based Approaches for Human-Intestinal-Absorption Prediction in Early Drug-Discovery Stage

, Authors: Koichi Handa, Sakae Sugiyama, Michiharu Kageyama, Takeshi Iijima
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-wkjpg
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Oxidative Coupling-Based Chromogenic Substrates for Horseradish Peroxidase-Enhanced Lateral Flow Immunoassays: A Highly Sensitive and Economical Alternative to Conventional Substrates

, Authors: Karan Saxena, Bhushan Toley
Version undefined posted 19 July 2023
Posted
Jul 19, 2023
10.26434/chemrxiv-2023-pg444
 
Subject: Chemistry
,
Working Paper
, Title:

Thermally stable Terbium(II) and Dysprosium(II) Bis-Amidinate Single-Molecule Magnets

, Authors: Peng-Bo Jin, Qian-Cheng Luo, Gemma Gransbury, Iñigo Vitorica-Yrezabal, Tomáš Hajdu, Eric McInnes, Richard Winpenny, Nicholas Chilton, David Mills, Yan-Zhen Zheng
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-snc7m
 
Subject: Chemistry
,
Working Paper
, Title:

INVESTIGATION OF COORDINATION COMPOUNDS OF GADOLINIUM (III) WITH beta-DIKETONES

, Authors: Oleksandra Berezhnytska, Artur Horbenko, Irina Savchenko, Oleksandr Rohovtsov, Nataliya Rusakova, Olena Trunova
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-dn9tl
 
Subject: Chemistry
,
Working Paper
, Title:

An Extrusion Strategy for On-demand SF5Cl Gas Generation from a Commercial Disulfide

, Authors: Reza Kordnezhadian, Tim De Bels, Kexin Su, Luc Van Meervelt, Ermal Ismalaj, Joachim Demaerel, Wim De Borggraeve
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-05387
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Bismuth Immiscibility to Create Highly Concave Noble Metal Nanoparticles

, Authors: Melissa King, Yuting Xu, Noah Mason, Porvajja Nagarajan, Fanglin Che, Michael Ross
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-1644z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Simulation of Conformality of ALD Growth Inside Lateral Channels: Comparison Between a Diffusion-Reaction Model and a Ballistic Transport-Reaction Model

, Authors: Jänis Järvilehto, Jorge Velasco, Jihong Yim, Christine Gonsalves, Riikka Puurunen
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-bnzgr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of penta- and hexa(3,4-thienylene): Size-dependent structural properties of cyclic oligothiophenes

, Authors: Mai Nagase, Sachiko Nakano, Yasutomo Segawa
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-wc8sl
 
Subject: Chemistry
,
Working Paper
, Title:

Visible light promoted [3+2]-cycloaddition in the synthesis of cyclopenta[b]chromenocarbonitrile derivatives

, Authors: Ewelina Kowalska, Mateusz Dyguda, Angelika Artelska, Anna Albrecht
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-qzx85
 
Subject: Chemistry
,
Working Paper
, Title:

ChatGPT Generated Content and Similarity Index in Chemistry & Allied Sciences

, Authors: Deep Kumar Kirtania
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-vxpk5
 
Subject: Chemistry
,
Working Paper
, Title:

A Gaussian process regression (GPR) quest to predict HOMO-LUMO energy

, Authors: MANJEET BHATIA
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-vsgpb
 
Subject: Chemistry
,
Working Paper
, Title:

A Study on the Efficient Separation of Oily Water Using Mullite Whiskers Membrane through Combined Filtration and Electrofiltration

, Authors: Masoumeh Naseri, Seyed Foad Mousavi, Mohammadreza Omidkhah
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-78nb3
 
Subject: Chemistry
,
Working Paper
, Title:

Cp*Co-catalyzed directed hydrogen isotope exchange with substrate-dependent deuterium source

, Authors: Sergio Barranco, Inbal Zaik, Jiayu Zhang, Anat Milo, Monica Perez-Temprano
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-bmg14
 
Subject: Chemistry
,
Working Paper
, Title:

Kilogram-Scale Fabrication of A Robust Olefin-linked Covalent Or-ganic Framework for Separating Ethylene from Ternary C2 Hydro-carbon Mixture

, Authors: Zhifang Wang, Yushu Zhang, En Lin, Shubo Geng, Mengjin Wang, Jinjin Liu, Yao Chen, Peng Cheng, Zhenjie Zhang
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-cqjrq
 
Subject: Chemistry
,
Working Paper
, Title:

Completing and balancing database excerpted chemical reactions with a hybrid mechanistic - machine learning approach

, Authors: Chonghuan Zhang, Adarsh Arun, Alexei Lapkin
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-hrgfw
 
Subject: Chemistry
,
Working Paper
, Title:

Fullerene functionalized halogen bonding heteroditopic hosts for ion-pair recognition

, Authors: Krzysztof M. Bąk, Igor Marqes, Heike Kuhn, Kirsten Christensen, Vítor Félix, Paul D. Beer
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-lqjxf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidative cycloaddition reactions of arylboron reagents via a one-pot formal dehydroboration sequence

, Authors: Shubhendu Karandikar, Bryan Metze, Riley Roberts, David Stuart
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-gw038
 
Subject: Chemistry
,
Working Paper
, Title:

Evidence for liquid-liquid phase separation during the early stages of Mg-struvite formation

, Authors: Stephanos Karafiludis, Ernesto Scoppola, Stephan E. Wolf, Zdravko Kochovski, David Matzdorff, Alexander E. S. Van Driessche, Jörn Hövelmann, Franziska Emmerling, Tomasz M. Stawski
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-6k339
 
Subject: Chemistry
,
Working Paper
, Title:

Vibrio vulnificus marine pathogen detection with thin-film impedance biosensors

, Authors: Arnau Pérez Roig, Bergoi Ibarlucea, Carmen Amaro, Gianaurelio Cuniberti
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-t63jq
 
Subject: Chemistry
,
Working Paper
, Title:

Total synthesis of [13C2]-labelled phytosiderophores of the mugineic and avenic acid families

, Authors: Nicolas Kratena, Markus Draskovits, Nina Biedermann, Eva Oburger, Christian Stanetty
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-q54fb
 
Subject: Chemistry
,
Working Paper
, Title:

PyChemFlow: an automated pre-processing pipeline in Python for reproducible machine learning on chemical data

, Authors: Mario Lovrić, Tomislav Đuričić, Hussain Hussain, Bono Lučić, Roman Kern
Version undefined posted 20 July 2023
Posted
Jul 20, 2023
10.26434/chemrxiv-2023-3zpw0
 
Subject: Chemistry
,
Working Paper
, Title:

Leveling the Mountain Range of Excited-State Benchmarking through Multistate Density Functional Theory

, Authors: Hong Zhu, Ruoqi Zhao, Meiyi Liu, Jun Zhang, Jiali Gao
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-ctbrc
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneous Electrochemical Exfoliation and Functionalization of 2H-MoS2

, Authors: Yuling Zhuo, Ian Kinloch, Mark Bissett
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-vz994-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hypervalent λ3-Fluoro Iodane Triggered Semipinacol Rearrange-ments: Efficient Synthesis of Quaternary α-Fluoro Ketones

, Authors: Pengyuan Zhao, Wanying Wang, Tanja Gulder
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-fvp05
 
Subject: Chemistry
,
Working Paper
, Title:

X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy

, Authors: Nicolas Velasquez, Fernanda Brandalise Nunes, Oksana Travnikova, Iyas Ismail, Renaud Guillemin, Jessica B. Martins, Denis Céolin, Loïc Journel, Laure Fillaud, Dimitris Koulentianos, Chinnathambi Kamal, Ralph Püttner, Maria Novella Piancastelli, Marc Simon, Michael Odelius, Marcella Iannuzzi, Tatiana Marchenko
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-hmhrj
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-type Electronic Interactions in Precursor Solutions of Molecular Doped P3HT Polymer

, Authors: Vandana Tiwari, Xin Li, Zheng Li, Ian Jacobs, Hong-Guang Duan, Henning Sirringhaus, R. J. Dwayne Miller, Ajay Jha
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-zzdvd
 
Subject: Chemistry
,
Working Paper
, Title:

Four – Electron Oxidative Addition of an N=N Double Bond at a Chromium Metallocyclopropene

, Authors: Paul Rathke, Jonathan Rittle
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-p4w8m
 
Subject: Chemistry
,
Review
, Title:

Challenges and opportunities for exploiting the role of zeolite confinements for the selective hydrogenation of acetylene

, Authors: Jenna Vito, Manish Shetty
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-wrbtl
 
Subject: Chemistry
,
Working Paper
, Title:

Intermediate Transfer Rates and Solid-State Ion Exchange are Key Factors Determining the Bifunctionality of a Tandem CO2 Hydrogenation Catalyst

, Authors: Fatima Mahnaz, Jasan Mangalindan, Jenna Vito, Yu-Ting Lin, Mustafa Akbulut, Manish Shetty
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-qvb0g
 
Subject: Chemistry
,
Working Paper
, Title:

Synthetic DNA-based nanoswimmers driven by enzyme catalysis

, Authors: Tania Patiño, Serena Gentile, Lorena Baranda, Erica Del Grosso, Rafael Mestre, Samuel Sanchez, Francesco Ricci
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-bxsbh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

High-throughput deconvolution of native protein mass spectrometry imaging datasets for mass domain analysis.

, Authors: Oliver Hale, Helen Cooper, Michael Marty
Version undefined posted 21 July 2023
Posted
Jul 21, 2023
10.26434/chemrxiv-2023-1zg89-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Ellipses and hyperbolas of decomposition of even numbers into pairs of prime numbers

, Authors: Gennady Butov
Version undefined posted 22 July 2023
Posted
Jul 22, 2023
10.33774/coe-2023-5pjlp
 
Subject: Mathematics
,
Working Paper
, Title:

Hilbert mathematics versus Gödel mathematics. IV. The new approach of Hilbert mathematics easily resolving the most difficult problems of Gödel mathematics

, Authors: Vasil Penchev
Version undefined posted 22 July 2023
Posted
Jul 22, 2023
10.33774/coe-2023-jt4vq
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Equivalence of the Four Fundamental Forces via Singularity Cancellation in Complex Function Theory

, Authors: WEN-XIANG CHEN
Version undefined posted 22 July 2023
Posted
Jul 22, 2023
10.33774/coe-2023-h81zf-v3
 
Subject: Chemistry
,
Working Paper
, Title:

ASHA:A Chemical Sapce Navigator app for Dual–Target-Directed-Inhibitor design

, Authors: akhil kumar
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-kpx9w
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrene C–H Bond Insertion Approach to Carbazolones and Indolones. Formal Total Synthesis of (–)-Methyl N-Decarbomethoxychanofruticosinate, (–)-Aspidospermidine and (+)-Kopsihainanine A

, Authors: Mahesh Lakshman, Dellamol Sebastian, Padmanava Pradhan, Michelle Neary, Alexis Piette, Samuel Trzebiatowski, Alexander Henriques, Patrick Willoughby
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-klj7x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Visible Light-Mediated [2+2]-Cycloadditions for the Formation of Macrocyclic Dimers

, Authors: Corinna Schindler, Cody Ng, Scott Kim, Ilia Kevlishvili, Gianmarco Terrones, Emily Wearing, Heather Kulik
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2022-h55mx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Decoupling of Confused Complex in Oxidation of 3,3’,5,5’-Tetramethylbenzidine Enhancing Reliability of Chromogenic Bioassay

, Authors: Caixia Zhu, Hong Yang, Xuwen Cao, Qing Hong, Yuan Xu, Kaiyuan Wang, Yanfei Shen, Songqin Liu, Yuanjian Zhang
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2022-cw9v0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

MBX: A many-body energy and force calculator for data-driven many-body simulations

, Authors: Marc Riera, Christopher Knight, Ethan F. Bull-Vulpe, Xuanyu Zhu, Henry Agnew, Daniel G.A. Smith, Andrew C. Simmonett, Francesco Paesani
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-09jh3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental and theoretical investigation of hydrogen sorption by SnO2 nanostructures in a metal-organic framework scaffold

, Authors: Rebecca Goncalves, Zhihengyu Chen, Karena Chapman, Randall Snurr, Joseph Hupp
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-54wkx
 
Subject: Chemistry
,
Working Paper
, Title:

The Mechanism of Lithium Zincate-Mediated I/Zn Exchange Revisited: A Computational Micro-Solvation Approach in THF

, Authors: Alexandre Pierret, Corentin Lefebvre, Philippe C. Gros, Clément Denhez, Alexandre Vasseur
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-nskrq
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-based Single-Molecule Catalysts with Synergistic Geometric Transition and Magnetic Field-assisted Spin Selection Outperforms RuO2 for Oxygen Evolution

, Authors: Kavish Saini, Aruna N Nair, Anju Yadav, Lissette Garcia Enriquez, Christopher J. Pollock, Stephen D. House, Shize Yang, Xin Guo, Sreeprasad T. Sreenivasan
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-3h23n
 
Subject: Chemistry
,
Working Paper
, Title:

Spin-Selective Oxygen Evolution Reaction in Chiral Iron Oxide Nanoparticles: Synergistic Impact of Inherent Magnetic Moment and Chirality

, Authors: Aruna N Nair, Sara E Fernandez,, Mariana Marcos, Daniel Rascon Romo, Srinivasa Rao Singamaneni, Dino Villagran, Sreeprasad Sreenivasan
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-n6972
 
Subject: Chemistry
,
Working Paper
, Title:

Catalysis Driven by an Amyloid-Substrate Complex

, Authors: Taka Sawazaki, Daisuke Sasaki, Youhei Sohma
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-tvkp2
 
Subject: Chemistry
,
Review
, Title:

Synergistic degradation mechanism in single crystal Ni-rich NMC//graphite cells

, Authors: Galo J. Páez Fajardo, Eleni Fiamegkou, James Gott, Heng Wang, Israel Temprano, Ieuan Seymour, Ashok Menon, Ifan E. L. Stephens, Muhammad Ans, Wesley Dose, Tien-Lin Lee, Pardeep K. Thakur, Michaël F. L. De Volder, Clare P. Grey, Louis F. J. Piper
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-fjqs6
 
Subject: Chemistry
,
Working Paper
, Title:

Phosphonate and Thia-Sugar Analogs of Glucosamine-6-phosphate: Activation of the glmS Riboswitch

, Authors: Bjarne Silkenath, Dennis Kläge, Hanna Altwein, Nina Schmidthäuser, Günter Mayer, Jörg S. Hartig, Valentin Wittmann
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-jd2pn
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidative Cleavage of Ketoximes to Ketones using Photoexcited Nitroarenes

, Authors: Lucas Göttemann, Stefan Wiesler, Richmond Sarpong
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-w6c7p
 
Subject: Chemistry
,
Working Paper
, Title:

Solvent Effects on the Rate of Ozonolysis: Development of a Homogeneous Flow Ozonolysis Protocol

, Authors: Danniel Arriaga, Seokmin Kang, Andy Thomas
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.26434/chemrxiv-2023-sz64b
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Political Origins of Slum Growth and Segregation in Cities: Evidence from Urban Brazil

, Authors: Alice Xu
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.33774/apsa-2023-00f00
 
Subject: Politics and International Relations
,
Working Paper
, Title:

A Difference-in-Differences Approach for Estimating Survey Mode Effects

, Authors: Trent Ollerenshaw
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.33774/apsa-2023-p5r6j-v3
 
Subject: Law
,
Working Paper
, Title:

System for the protection of human rights worldwide with special attention to Arab-Muslim countries. Comparing the fundamental rights of women in Muslim countries and Saudi Arabia: Introduction of a new personal status law

, Authors: Graziella Marinò
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.33774/coe-2023-fbv1w
 
Subject: Law
,
Working Paper
, Title:

The International Joint Venture contract in the United Arab Emirates

, Authors: Graziella Marinò
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.33774/coe-2023-3vx2g
 
Subject: Law
,
Working Paper
, Title:

International Negotiation Techniques and Communication for the Sale Contract: a Special Reference to the United Arab Emirates & India

, Authors: Graziella Marinò
Version undefined posted 24 July 2023
Posted
Jul 24, 2023
10.33774/coe-2023-0bf2f
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of Binding Pose and Affinity of SARS-CoV-2 Main Protease and Repositioned Drugs by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations

, Authors: Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-hrsvj
 
Subject: Chemistry
,
Working Paper
, Title:

Essential Insight of Direct Electron Transfer-Type Bioelectrocatalysis by Membrane-bound D-Fructose Dehydrogenase with Structural Bioelectrochemistry

, Authors: Yohei Suzuki, Fumiaki Makino, Tomoko Miyata, Hideaki Tanaka, Keiichi Namba, Kenji Kano, Keisei Sowa, Yuki Kitazumi, Osamu Shirai
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-8f5g4
 
Subject: Chemistry
,
Working Paper
, Title:

Making Photocatalysts Screenable - A Milli Scale Multi-Batch Screening Photoreactor as Extension for the Modular Photoreactor

, Authors: Daniel Kowalczyk, Gergely Knorr, Kalina Peneva, Dirk Ziegenbalg
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-sf90v
 
Subject: Chemistry
,
Working Paper
, Title:

Clarifying the local structure of dopants in garnet solid-state electrolytes for lithium-ion batteries

, Authors: Sundeep Vema, Astrid Berge, Supreeth Nagendran, Clare Grey
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-qxtdc
 
Subject: Chemistry
,
Working Paper
, Title:

Predictive Machine Learning Models Trained on Experimental Datasets for Electrochemical Nitrogen Reduction

, Authors: Darik Rosser, Brianna Farris, Kevin Leonard
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-x81t3
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of three unexpected new psychoactive substances at an Australian drug checking service

, Authors: Malcolm D. McLeod, Jess L. Algar, Douglas J. Lawes, Adam J. Carroll, David Caldicott
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-6dc45
 
Subject: Chemistry
,
Working Paper
, Title:

Non-Gaussian distributions of absolute free energies in ensemble molecular dynamics simulations

, Authors: Peter Coveney, Shunzhou Wan
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2022-s4jw1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photorearrangement of Bishypersilyl-1,2-dione: The Wavelength Matters

, Authors: Gabriel Glotz, Manfred Drusgala, Florian Hamm, Roland Fischer, Nađa Došlić, Anne-Marie Kelterer, Georg Gescheidt, Michael Haas
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-lpgq7
 
Subject: Chemistry
,
Working Paper
, Title:

Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules

, Authors: Massimiliano Lupo Pasini, Kshitij Mehta, Pilsun Yoo, Stephan Irle
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-dkjt6-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemistry at the edge of a van der Waals heterostructure

, Authors: Aleksandra Plačkić, Tilmann J Neubert, Kishan Patel, Michel Kuhl, Kenji Watanabe, Takashi Taniguchi, Amaia Zurutuza, Roman Sordan, Kannan Balasubramanian
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-hbqjd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Friedel–Crafts Reactions of Unactivated Secondary Alcohols: Site-Selective ortho-Alkylation of Phenols

, Authors: Aaron Pan, Viviene Nguyen, Lorraine Rangel, Charlene Fan, Kevin Kou
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-5718q
 
Subject: Chemistry
,
Working Paper
, Title:

Systematic handling of environmental fate data for model development – illustrated for the case of biodegradation half-life data

, Authors: Jasmin Hafner, Kathrin Fenner, Andreas Scheidegger
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-604k3
 
Subject: Chemistry
,
Working Paper
, Title:

Amino acids as chelating ligands for platinum: enhanced stability in aqueous environment promoted by biocompatible molecules

, Authors: Andrea Cucchiaro, Amelie Scherfler, Davide Corinti, Giel Berden, Jos Oomens, Klaus Wurst, Ronald Gust, Maria Elisa Crestoni, Brigitte Kircher, Monika Cziferszky
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-n0l8n
 
Subject: Chemistry
,
Working Paper
, Title:

Polyaniline - lead composites as inhibitors for hydrogen evolution reaction, relevant for lead-acid batteries

, Authors: Camila Alves Escanio, Suelem Soares dos Santos, Julia Marchesi Natale, Dalva Alves de Lima Almeida, Vladimir Jesus Trava-Airoldi, Evaldo José Corat
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-fm11x
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-Induced Symmetry Breaking as Origin of Multiexponential Photoluminescence Decay in CdSe Quantum Dots

, Authors: Torben Steenbock, Tobias Dittmann, Surender Kumar, Gabriel Bester
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-0gjch
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Violent conflict and hostility towards ethno-religious outgroups in Nigeria

, Authors: Daniel Tuki
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.33774/apsa-2023-qbpm4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Spectroscopic Identification of BN-Arynes and Subtle Steric Effects on Nitrogen Fixation

, Authors: Divanshu Gupta, Constanze Keck, Christina Tönshoff, Virinder Bhagat, Raphael Strobel, Manuel Eder, Patrick Baylère, Stéphane Labat, Anna Chrostowska, Holger F. Bettinger
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-5sfz2
 
Subject: Chemistry
,
Working Paper
, Title:

Automated LC-MS Analysis and Data Extraction for High-Throughput Chemistry

, Authors: Joseph Mason, Harry Wilders, David J. Fallon, Ross P. Thomas, Jacob T. Bush, Nicholas C. O. Tomkinson, Francesco Rianjongdee
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-1x288
 
Subject: Chemistry
,
Working Paper
, Title:

Visualizing the transient assembly and disassembly of carboxylic anhydrides in the organic chemistry laboratory

, Authors: Sumalatha Peddi, Jacob R. Franklin, C. Scott Hartley
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-d4bgx
 
Subject: Chemistry
,
Working Paper
, Title:

A Snapshot into the Invasion of Plastics in Human Urine

, Authors: Alfred N Barnett, Muhammad Arshad, Deedar Nabi
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-rp3vd
 
Subject: Chemistry
,
Working Paper
, Title:

Nanocomposite Dielectric Elastomer Actuator for Micropump Diaphragms- Material Fabrication and Simulation Studies

, Authors: Adithya Lenin, Pandurangan Arumugam
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-70gkd
 
Subject: Chemistry
,
Working Paper
, Title:

Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation

, Authors: Adam Thomas, Marta Serafini, Emma Grant, Edward Coombs, Joseph Bluck, Matthias Schiedel, Michael McDonough, Jessica Reynolds, Bernadette Lee, Michael Platt, Vassilena Sharlandjieva, Philip Biggin, Fernanda Duarte, Thomas Milne, Jacob Bush, Stuart Conway
Version undefined posted 25 July 2023
Posted
Jul 25, 2023
10.26434/chemrxiv-2023-8qnvr
 
Subject: Life Sciences
,
Working Paper
, Title:

DASS App: Integrating data from non-animal test methods to predict skin sensitization hazard and potency

, Authors: Kimberly To, Judy Strickland, Emily Reinke, Alexandre Borrel, Jim Truax, Heather Maldonado, Dave Allen, Nicole Kleinstreuer
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.33774/coe-2023-z56nq
 
Subject: Chemistry
,
Working Paper
, Title:

QSPR AND ARTIFICIAL NEURAL NETWORK PREDICTIONS OF HYPERGOLIC IGNITION DELAYS FOR ENERGETIC IONIC LIQUIDS

, Authors: Debasis Sengupta, Maciej Z. Pindera, J. Vernon Cole, Ghanshyam L. Vaghjiani
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-twmn8
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Ion-Solvent Clustering in Differential Mobility Spectrometry using Anharmonic Thermochemistry

, Authors: Christopher R. M. Ryan, Alexander Haack, W. Scott Hopkins
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-bn642
 
Subject: Chemistry
,
Working Paper
, Title:

X-ray dose effects and strategies to mitigate beam damage in metal halide perovskites under high brilliance X-ray photon source

, Authors: Francisco M. C. da Silva, Rodrigo Szostak, Maria G. D. Guaita, Verônica C. Teixeira, Ana Flavia Nogueira, Hélio C. N. Tolentino
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-4w2wn
 
Subject: Chemistry
,
Working Paper
, Title:

Crystal Size Dependent Flexibility in ZIF-7: From Macro- to Nano-Scale

, Authors: Rimita Bose, Volodymyr Bon, Nadine Bönisch, Parasuraman Selvam, Niket S. Kaisare, Stefan Kaskel
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-q2z25-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Selective C–H Activation of Unprotected Allylamines by Control of Catalyst Speciation

, Authors: Vinod Landge, Ankita Mishra, Waruna Thotamune, Audrey Bonds, Indunil Alahakoon, Ajith Karunarathne, Michael Young
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-8xvnr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform

, Authors: Wedage Lakna Dayaratne, Raúl Torres-Cadena, Bennett P. Schmitt, Emma M. Westrick, Adam Jaffe
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-v6h2h
 
Subject: Chemistry
,
Review
, Title:

Aerosol emissions from Heated Tobacco Products: a review focusing on carbonyls, analytical methods and experimental quality

, Authors: Roberto A. Sussman, Federica Sipala, Rosalia Emma, Simone Ronsisvalle
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-lj51d-v3
 
Subject: Chemistry
,
Working Paper
, Title:

On the synthesis of WS2 nanotubes: reaction mechanism revelation by in-situ scanning and ex-situ transmission electron microscopy

, Authors: Vojtech Kundrat, Libor Novak, Jakub Zalesak, Kristyna Bukvisova, Miroslav Kolibal, Reshef Tenne
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-2vd0n
 
Subject: Chemistry
,
Working Paper
, Title:

Real-World Molecular Out-Of-Distribution: Specification and Investigation

, Authors: Prudencio Tossou, Cas Wognum, Michael Craig, Hadrien Mary, Emmanuel Noutahi
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-q11q4-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Riemann Hypothesis on Grönwall's Function

, Authors: Frank Vega
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.33774/coe-2023-kw7kv-v12
 
Subject: Chemistry
,
Working Paper
, Title:

Roles of the tyrosine diiron ligand of a mycobacterial hemerythrin-like protein on spectroscopic and redox properties, and catalase and nitric oxide reactivities

, Authors: Christopher Martin, Zhongxin Ma, Ashley Holland, Maria Luiza Caldas Nogueira, Victor Davidson, Jonathan Caranto
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-k3lss
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Synthesis of 1,3-Substituted Cuneanes: En Route to Potent Bioisosteres of m-Substituted Benzenes

, Authors: Shota Nagasawa, Kan Fujiwara, Ryusei Maeyama, Ryosuke Segawa, Noriyasu Hirasawa, Takatsugu Hirokawa, Yoshiharu Iwabuchi
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-fgxxm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Accessing Metal-Specific Orbital Interactions in C-H Activation using Resonant Inelastic X-ray Scattering

, Authors: Ambar Banerjee, Raphael M. Jay, Torsten Leitner, Ru-Pan Wang, Jessica Harich, Robert Stefanuik, Michael R. Coates, Emma V. Beale, Victoria Kabanova, Abdullah Kahraman, Anna Wach, Dmitry Ozerov, Christopher Arrell, Christopher Milne, Philip J. M. Johnson, Claudio Cirelli, Camila Bacellar, Nils Huse, Michael Odelius, Philippe Wernet
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-fm49h
 
Subject: Chemistry
,
Working Paper
, Title:

Formoxyboranes as hydroborane surrogates for the catalytic re-duction of carbonyls through transfer hydroboration

, Authors: Gabriel Durin, R. Martin Romero, Timothé Godou, Clément Chauvier, Pierre Thuéry, Emmanuel Nicolas, Thibault Cantat
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-6ml06
 
Subject: Chemistry
,
Working Paper
, Title:

The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 2: cata-condensed Hetero-Polycyclic Aromatic Systems

, Authors: Eduardo Mayo Yanes, Sabyasachi Chakraborty, Renana Gershoni-Poranne
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-sgh69
 
Subject: Chemistry
,
Working Paper
, Title:

Sampling and Mapping Chemical Space with Extended Similarity Indices

, Authors: Kenneth Lopez Perez, Edgar Lopez Lopez, Jose Luis Medina Franco, Ramon Miranda-Quintana
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-rlxjk
 
Subject: Chemistry
,
Working Paper
, Title:

Polyaromatic phosphetenes: versatile platforms for circularly polarized luminescence generation through chiral perturba-tion

, Authors: Lauwick Hortense, Kristóf Noel Garami, Wimonsiri Huadsai, Matthew P. Duffy, Roukayaati Foundi, Roisnel Thierry, Nicolas Vanthuyne, Zoltán Benkő, Pierre-Antoine Bouit, Muriel Hissler
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-ptghf
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Key Requirements for Ultra-Efficient Sensitisation in Hyperfluorescence OLEDs.

, Authors: Kleitos Stavrou, Larissa Gomes Franca, Andrew Danos, Andy Monkman
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-vnk7q
 
Subject: Chemistry
,
Working Paper
, Title:

A ratiometric fluorescent probe for rapid and specific detection of hypochlorite

, Authors: Pu Chen, Qingli Nie, Yuting Yan, Juncheng Yang, Hai-Tao Feng, Ben Zhong Tang
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-9650g
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen Storage with Aluminum Formate, ALF: Experimental, Computational and Technoeconomic Studies

, Authors: Hayden Evans, Taner Yildirim, Peng Peng, Yongqiang Cheng, Zeyu Deng, Qiang Zhang, Dinesh Mullangi, Dan Zhao, Piero Canepa, Hanna Bruenig, Anthony Cheetham, Craig Brown
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-7b1m5
 
Subject: Chemistry
,
Working Paper
, Title:

Diethoxycarbonyl-BODIPYs as heavy-atom-free photosensitizers for holographic recording in cellulose acetate photopolymer

, Authors: Aimee Sheehan, Tatsiana Mikulchyk, Catherine De Castro, Safakath Karuthedath, Wejdan Althobaiti, Metodej Dvoracek, Gul Sabad-e-, Hugh Byrne, Frédéric Laquai, Izabela Naydenova, Mikhail Filatov
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-5rk4p
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Supported Heterogeneous Dirhodium(II) Catalyst for Nitrene and Carbene Transfer Reactions

, Authors: Michael Young, Vanaparthi Satheesh, Indunil Alahakoon, Kendra Shrestha, Livina Iheme, Michal Marszewski
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.26434/chemrxiv-2023-gbspt
 
Subject: Politics and International Relations
,
Working Paper
, Title:

You’re not welcome! Violence and support for a grazing ban policy in Kaduna, Nigeria

, Authors: Daniel Tuki
Version undefined posted 26 July 2023
Posted
Jul 26, 2023
10.33774/apsa-2023-90j5j
 
Subject: Chemistry
,
Working Paper
, Title:

Biogeochemistry concepts in medicine: Radiosensitizing pancreatic cancer through pathology driven biosynthesis of gold nanoparticles.

, Authors: Aaron Schwartz-Duval, Yuri Mackeyev, MIhai Gagea, Sunil Krishnan, Konstantin Sokolov
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-k96k9
 
Subject: Chemistry
,
Working Paper
, Title:

Lessons learned from multi-objective automatic optimizations of classical three-site rigid water models using microscopic and macroscopic target experimental observables

, Authors: Mattia Perrone, Riccardo Capelli, Charly Empereur-mot, Ali Hassanali, Giovanni M. Pavan
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-88fpn
 
Subject: Chemistry
,
Working Paper
, Title:

Selective S-arylation of Sulfenamides with Arynes: Facile Access to Sul-filimines

, Authors: Jiajing Tan, Hiroto Yoshida, Yifeng Guo, Zhuang Zhe, Xiaoying Feng, Quanyu Ma, Ningning Li, Chaochao Jin
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-vc3tz
 
Subject: Chemistry
,
Working Paper
, Title:

Formation of H3O+ and OH by CO2 and N2O trace gases in the atmospheric environment

, Authors: MAURO SATTA, Antonella Cartoni, Daniele Catone, Mattea Carmen Castrovilli, Francesca Nicolanti
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-403lj
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid electrochemical flow analysis of urinary creatinine on paper: unleashing the potential of two-electrode detection

, Authors: Léonard Bezinge, Niklas Tappauf, Daniel A. Richards, Chih-Jen Shih, Andrew J. deMello
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-gb7gb
 
Subject: Chemistry
,
Working Paper
, Title:

Morphologies of proteinoids

, Authors: Panagiotis Mougkogiannis, Andrew Adamatzky
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-j0lms
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Biomolecular Trifluoromethylation Using Cationic Aromatic Sulfonate Esters as Visible Light-Triggered Radical Photocages

, Authors: Nicholas Kuehl, Michael Taylor
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-m9nsn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Degradable Latexes by Nitroxide-Mediated Aqueous Seeded Emulsion Copolymerization using Thionolactones

, Authors: Maëlle Lages, Noémie Gil, Paul Galanopoulo, Julie Mougin, Catherine Lefay, Yohann Guillaneuf, Muriel Lansalot, Franck D'Agosto, Julien Nicolas
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-fsgv2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidative coupling of biogas to ethylene over a trilobe-shaped Mn-Na2WO4/α-Al2O3 catalyst in a single-pellet reactor

, Authors: Valentin L'hospital, Jordan Guillemot, Rémi Beucher, Thomas Michon, Didier Bonnet, Yves Schuurman, David Farrusseng
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-w5rhq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Amorphization of different furosemide polymorphic forms during ball milling: tracking solid-to-solid phase transformations

, Authors: Mengwei Wang, Junbo Gong, Thomas Rades, Inês C. B. Martins
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-qxf1q
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Sclerotioloid A

, Authors: Juha Siitonen
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-qb8g3
 
Subject: Chemistry
,
Working Paper
, Title:

Electric Field-Driven Spatial Information Capture of Dissipative Biocondensate States

, Authors: Neetu ., Aman Saini, Rishi Ram Mahato, Priyanka ., Subhabrata Maiti
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-c79tc
 
Subject: Chemistry
,
Working Paper
, Title:

Intramolecular Asymmetric Cyclopropanation Using Air Stable Alkylboronic Esters

, Authors: Luca Vedani, Manuel Gnägi-Lux, Fabrice Dénès, Philippe Renaud
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-9jkbp
 
Subject: Chemistry
,
Working Paper
, Title:

Directed Crystallization of a Nanoscale Quasi-1D van der Waals Topological Insulator

, Authors: Steven Allison, Dmitri Leo Cordova, Maham Hasib, Toshihiro Aoki, Maxx Arguilla
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-f5gb0
 
Subject: Chemistry
,
Working Paper
, Title:

In silico screening based on chemoinformatics and molecular docking of trypanothione reductase inhibitors from Trypanosoma cruzi

, Authors: Brenda Aylin Hernández Alba, Erick Galicia Galicia, Raquel Retana Ugalde, Jessica Elena Mendieta Wejebe, Juan Andres Alvarado Salazar
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-2cl8l
 
Subject: Chemistry
,
Working Paper
, Title:

Morphology and defects in CeO2-ZnO

, Authors: N Usharani, Ramagiri Praveen Kumar, ARNAB BHATTACHARYYA, A Raju
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-bb8gh
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning-based prediction of activation energies for chemical reactions on metal surfaces

, Authors: Daniel J. Hutton, Kari E. Cordes, Carine Michel, Florian Göltl
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-br7z0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Liposomal co-permeation assay reveals unexpected membrane interactions of commonly prescribed drugs

, Authors: Klára Odehnalová, Martin Balouch, Kateřina Storchmannová, Aleš Zadražil, Karel Berka, František Štěpánek
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-gsjtk
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Rapid Adeno-Associated Virus (AAV) Identity Testing Platform through Comprehensive Mass Analysis of Full-length AAV Capsid Proteins

, Authors: Josh Smith, Felipe Guapo, Lisa Strasser, Silvia Millan-Martin, Steven Milian, Richard Snyder, Jonathan Bones
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-ppzsj
 
Subject: Chemistry
,
Review
, Title:

Dynamic surface reconstruction of perovskite oxides in oxygen evolution reaction and its impacts on catalysis: a critical review

, Authors: Zhonghui Hu, Qian Yan, Yuanqing Wang
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-d1bhk
 
Subject: Chemistry
,
Working Paper
, Title:

Scaling-up electroorganic synthesis using a spinning electrode electrochemical reactor in batch and flow mode

, Authors: Nikola Petrović, Bhanwar K. Malviya, C. Oliver Kappe, David Cantillo
Version undefined posted 27 July 2023
Posted
Jul 27, 2023
10.26434/chemrxiv-2023-6vvnn
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of polymer architecture on the adsorption and coating stability on heterogeneous biomimetic surfaces

, Authors: Irene Adroher-Benítez, Tatiana I. Morozova, Gabriel Catalini, Nicolás A. García, Jean-Louis Barrat, Gustavo S. Luengo, Fabien Léonforte
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-rjdwp
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental and Computational Investigation of Fluid Dynamics and Solid Transport in Split-and-Recombine Oscillatory Flow Reactors Using Water as Medium

, Authors: Filippo Nanto, Sandor B. Otvos, C. Oliver Kappe, Paolo Canu
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-hgfxs
 
Subject: Chemistry
,
Working Paper
, Title:

Gas evolution in sodium ion batteries – DEMS setup, data evaluation and application to a Mn-rich layered cathode material

, Authors: Jonas Geisler, Lukas Pfeiffer, Guillermo Alvarez Ferrero, Peter Axmann, Philipp Adelhelm
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-md389
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous Unassisted Conversion of CO2 to Multicarbon Liquid Products on Green Rust Mineral

, Authors: Sangyeon Lee, Chenying Wang, Vidhya Chakrapani
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-bch3f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

NaBH4 Hydrolysis for Hydrogen Generation over Metal-Organic Frameworks (Cu-BTC)

, Authors: Hani Nasser Abdelhamid, Zeinab Hussein Hashem, Laila H. Abdel-Rahman, Santiago Gomez
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-hqtqv
 
Subject: Chemistry
,
Working Paper
, Title:

Diastereoselective synthesis of alpha-aryl substituted LnDOTA chelates from achiral starting materials by deracemization under mild conditions

, Authors: Karley Maier, Lauren Rust, Charlene Kupara, Mark Woods
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-qq7t7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-Induced Chirality in Novel 2D Tin Iodide Perovskite Cl-MBA2SnI4

, Authors: Lorenzo Malavasi, Clarissa Coccia, Marta Morana, Arup Mahata, Waldemar Kaiser, Filippo De Angelis, Edoardo Mosconi, Marco Moroni, Chiara Milanese, Benedetta Albini, Pietro Galinetto, Alessio Porta
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-kq7t5
 
Subject: Chemistry
,
Working Paper
, Title:

Combined Electrocatalytic Oxidation and Reduction to Selectively Cleave β-O-4 Linkage of Lignin over Platinum Electrode in Organic Solvent: Secondary treatment opportunity for CELF Process

, Authors: Mahmudul Hasan, Amir Akbari, Lauren F. Greenlee
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-sv8wb
 
Subject: Chemistry
,
Working Paper
, Title:

O-vacancy Mediated Partially Inverted Ferrospinels for Enhanced Activity in the Sulfuric Acid Decomposition for Hydrogen Production

, Authors: Shailesh Pathak, Preeti Bhumla, Shashank Bahri, Sreedevi Upadhyayula, Saswata Bhattacharya
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-n273j
 
Subject: Chemistry
,
Working Paper
, Title:

The Challenge of Balancing Model Sensitivity and Robustness in Predicting Yields: A Benchmarking Study of Amide Coupling Reactions

, Authors: Zhen Liu, Yurii S. Moroz, Olexandr Isayev
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-j9h92
 
Subject: Chemistry
,
Working Paper
, Title:

Ring-Opening of Aziridines by Pendant Sulfamates Allows for Regioselective and Stereospecific Preparations of Vicinal Diamines

, Authors: Shyam Sathyamoorthi, Someshwar Nagamalla, Annu Anna Thomas, Appasaheb Nirpal, Joel Mague
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-j8q9m
 
Subject: Chemistry
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Working Paper
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A Water-Stable Boronate Ester Cage

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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-m4f0c
 
Subject: Chemistry
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Working Paper
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A simple HPLC-fluorescence screening method for rapid determination of oleuropein in olive leaves; cross validation with an UPLC-MS-UV method and analysis of leaves of French olive varieties

, Authors: MARY KELLY, Morgane Carrara, Lauren Griffin, Delphine Margout
Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-2v99z
 
Subject: Chemistry
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Working Paper
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Total Synthesis of Psammaplysins A, M, O, and Q, and Ceratinamide A

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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-cgv0c
 
Subject: Chemistry
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Regularized indirect learning improves phage display ligand discovery

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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-jpwvn
 
Subject: Chemistry
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Working Paper
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The Tension Activated Carbon–Carbon Bond

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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-rzwhn
 
Subject: Chemistry
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Working Paper
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KinomeMETA: meta-learning enhanced kinome-wide polypharmacology profiling

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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-wnjzp
 
Subject: Chemistry
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Working Paper
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Direct and Modular Access to Allylic Amines via Nickel-Catalyzed Three-Component Coupling

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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-573t7
 
Subject: Chemistry
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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-77wp7
 
Subject: Chemistry
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Working Paper
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Application of an Oscillatory Plug Flow Reactor to Enable Scalable and Fast Reactions in Water Using a Biomass-Based Polymeric Additive

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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-jl370
 
Subject: Chemistry
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Working Paper
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Increasing the robustness of SIFT-MS volatilome fingerprinting by introducing notional analyte concentrations

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Posted
Jul 28, 2023
10.26434/chemrxiv-2023-48ll0-v2
 
Subject: Chemistry
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Working Paper
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Towards a Stochastic Complete Active Space Second Order Perturbation Theory

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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-s0xl4
 
Subject: Chemistry
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Version undefined posted 28 July 2023
Posted
Jul 28, 2023
10.26434/chemrxiv-2023-k5zfq-v2
 
Subject: Chemistry
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Working Paper
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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-2llln
 
Subject: Chemistry
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Working Paper
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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-jvmz1
 
Subject: Chemistry
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Working Paper
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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-jqhg1-v2
 
Subject: Chemistry
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Comments on “The Transition Metal Catalyzed [.pi.2s + .pi.2s + .sigma.2s + .sigma.2s] Pericyclic Reaction: Woodward−Hoffmann Rules, Aromaticity, and Electron Flow" (J. Am. Chem. Soc. 2020, 142, 19033-19039.): An Orbital Phase Theory Approach

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Version undefined posted 31 July 2023
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Jul 31, 2023
10.26434/chemrxiv-2023-wvxb2
 
Subject: Chemistry
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Version undefined posted 31 July 2023
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Jul 31, 2023
10.26434/chemrxiv-2023-hx8km-v2
 
Subject: Chemistry
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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-qt5jf-v2
 
Subject: Mathematics
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Posted
Jul 31, 2023
10.33774/miir-2023-s27lz
 
Subject: Mathematics
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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.33774/miir-2023-kwwcv
 
Subject: Mathematics
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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.33774/miir-2023-mgp7g
 
Subject: Chemistry
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Working Paper
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A Mild catalyzed imino Diels-Alder reaction for the synthesis of N-(2-(o-tolyl)-1,2,3,4-tetrahydroquinoline-4-yl)formamide derivatives as regulators of Quorum Sensing in Pseudomona Aeruginosa

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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-7f4vv
 
Subject: Chemistry
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Working Paper
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Comparing the Structures and Photophysical Properties of Two Charge Transfer Co-crystals

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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-vdtk0
 
Subject: Chemistry
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Persistent Organonickel Complexes as General Platforms for Csp2-Csp3 Coupling Reactions

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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-kqtm5
 
Subject: Chemistry
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A facile approach to create sensitive and selective Cu(II) sensors on carbon fiber microelectrodes

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Jul 31, 2023
10.26434/chemrxiv-2023-1xwtf
 
Subject: Chemistry
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A soft, adhesive self-healing naked-eye strain/stress visualization patch

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Version undefined posted 31 July 2023
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Jul 31, 2023
10.26434/chemrxiv-2023-q6tpm
 
Subject: Chemistry
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Copper Catalyzed Regio- and Stereoselective Hydroarylation of Ynamide

, Authors: Avijit Maity, Akhila K. Sahoo
Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-5l4p2
 
Subject: Chemistry
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Communication J Chem Phys : Machine Learning Classification can Significantly Reduce the Cost of Calculating the Hamiltonian Matrix in CI Calculations

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Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-8sc6z-v2
 
Subject: Chemistry
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Incorporation of Fe3+ into MnO2 birnessite for enhanced energy storage: Impact on the structure and the charge storage mechanisms

, Authors: Jacob Olchowka, Ronan Invernizzi, Vadim M. Kovrugin, Louise Molinié, Antonella Iadecola, Mathieu Duttine, Lydie Bourgeois, Liliane Guerlou-Demourgues
Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-lh8km
 
Subject: Chemistry
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Working Paper
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Phase space perspective on a model for isomerization in an optical cavity

, Authors: Subhadip Mondal, Srihari Keshavamurthy
Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-p306g
 
Subject: Chemistry
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Towards Reproducible and Automated Electrochemistry

, Authors: Rebekah Duke, Siamak Mahmoudi, Aman Preet Kaur, Vinayak Bhat, Ian Dingle, Nathan Stumme, Scott Shaw, David Eaton, Asmund Vego, Chad Risko
Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-cds00
 
Subject: Chemistry
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Working Paper
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Catalytic, Dearomative 2,3-Difluorination of Indoles

, Authors: Fang-Hai Tu, Shuang Lin, Ya-Jie Tang, Li-Cai Liu, Qingjiang Li, Honggen Wang
Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-kd4f3
 
Subject: Chemistry
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Working Paper
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Synthesis of 6-azaindoles via electrophilic [4+1]-cyclization of 3-amino-4-methyl pyridines: scope and limitations

, Authors: Sergey Ivonin, Volodymyr Voloshchuk, Eduard Rusanov, Sergey Suikov, Serhiy Ryabukhin, Dmytro Volochnyuk
Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-qk7sx
 
Subject: Chemistry
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Working Paper
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Aluminium and gallium silylimides as nitride sources

, Authors: Andreas Heilmann, Artemis Saddington, Jose Goicoechea, Simon Aldridge
Version undefined posted 31 July 2023
Posted
Jul 31, 2023
10.26434/chemrxiv-2023-mc2jv
 
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