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Subject: Chemistry
,
Working Paper
, Title:

Automated High Throughput pKa and Distribution Coefficient Measurements of Pharmaceutical Compounds for the SAMPL8 Blind Prediction Challenge

, Authors: Matthew Bahr, Aakankschit Nandkeolyar, John Kenna, Luigi DaVia, Neysa Nevins, Mehtap Isik, John Chodera, David Mobley
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-8gd90
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism and Origin of Remote Stereocontrol in the Organocatalytic C(sp2)-H Alkylation using Nitroalkanes as Alkylating Agents

, Authors: Sharath Chandra Mallojjala, Rahul Sakar, Rachael W. Karugu, Madhu Sudan Manna, Santanu Mukherjee, Jennifer S. Hirschi
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-x5mkp
 
Subject: Chemistry
,
Working Paper
, Title:

A SHORT COMMUNICATION ON INHIBITORY AGENTS AGAINST SARS-COV2: VIRTUAL SCREENING AND DRUG REPURPOSING STUDIES

, Authors: Muniba Pervez, Muhammad Bilal, Fahad Hassan Shah, Robaica Khan, Maham Chaudhry, Sajid Asghar, Sajid Khan Sadozai, Ayesha Sajjad, Zulekha Mughal, Song Ja Kim, Kashif Iqbal, Saad Salman
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-2v7kh-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A Dual CuH- and Pd-Catalyzed Stereoselective Synthesis of Highly Substituted 1,3-Dienes

, Authors: Chuan-Jin Hou, Alexander Schuppe, James Levi Knippel, Anton Ni, Stephen Buchwald
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-drqz1
 
Subject: Chemistry
,
Working Paper
, Title:

Ruffling is Essential for Staphylococcus aureus IsdG-catalyzed Degradation of Heme to Staphylobilin

, Authors: Ariel Schuelke-Sanchez, Amanda Cornetta, Taylor Kocian, Matthew Conger, Matthew Liptak
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-pdrs8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Absolute Configuration of Bromofluoroiodomethane after Preparative Gas Chromatographic Separation

, Authors: Benjamin Spenger, Stefan Näf, Stole Manov, Jürgen Stohner
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-51rbh
 
Subject: Mathematics
,
Working Paper
, Title:

Hydro-reservoir management and unit-commitment in energy optimization

, Authors: Flávio Leite Loução Junior, Marlon Sproesser Mathias, Claudia Sagastizábal, Luiz-Rafael Santos, Francisco Nogueira Calmon Sobral
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.33774/miir-2021-6qw7r
 
Subject: Chemistry
,
Working Paper
, Title:

Multiplexed screening of thousands of natural products for protein-ligand binding in native mass spectrometry

, Authors: Giang Nguyen, Jack Bennett, Sherrie Liu, Sarah Hancock, Daniel Winter, Dominic Glover, William Donald
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-sc39c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Co(II) Amide, Pyrrolate, and Aminopyridinate Complexes: Assessment of their Manifold Structural Chemistry and Thermal Properties

, Authors: David Zanders, Nils Boysen, Michael A. Land, Jorit Obenlüneschloß, Jason D. Masuda, Bert Mallick, Seán T. Barry, Anjana Devi
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-xf2d1
 
Subject: Chemistry
,
Working Paper
, Title:

Sustainable nitrate production out of thin air: The photocatalytic oxidation of molecular nitrogen

, Authors: Aneta Pashkova, Bastien Burek, Jonathan Bloh
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-hljbh
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing the Throughput of FT Mass Spectrometry Imaging Using Compressed Sensing and Subspace Modeling

, Authors: Yuxuan Richard Xie, Daniel C. Castro, Stanislav S. Rubakhin, Jonathan V. Sweedler, Fan Lam
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-ks1vf
 
Subject: Chemistry
,
Working Paper
, Title:

Identifying sources of D-serine in Caenorhabditis elegans and their impact on behavior

, Authors: Tian A. Qiu, Harvey M. Andersen, Nissa J. Larson, Nathan E. Schroeder, Jonathan V. Sweedler
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-mz0tt
 
Subject: Chemistry
,
Working Paper
, Title:

Upper Secondary School and University Level Students’ Perceptions of Extractions in Context: Experiences from a Simple Laboratory Experiment

, Authors: Tuomas Nurmi, Juha Siitonen
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-wdrwc
 
Subject: Chemistry
,
Working Paper
, Title:

NIR-Emitting Benzene-Fused Oligo-BODIPYs for Bioimaging

, Authors: Gabriele Selvaggio, Robert Nißler, Peter Nietmann, Atanu Patra, Lukas Jacek Patalag, Andreas Janshoff, Daniel Bodo Werz, Sebastian Kruss
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-nl537
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Activation of Bioorthogonal Chemistry with Light (CABL) Enables Rapid, Spatiotemporally-controlled Labeling and No-Wash, Subcellular 3D-Patterning in Live Cells using Long Wavelength Light

, Authors: Andrew Jemas, Yixin Xie, Jessica Pigga, Jeffrey Caplan, Christopher am Ende, Joseph Fox
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-2s0d6
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation and Data Analysis of Sol-Gel Method with Acids to Determine Most Effective Sol-Gel Method

, Authors: Joshua Moore, Aniska Ramsay
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-j3jnl
 
Subject: Chemistry
,
Working Paper
, Title:

Anisotropic strength behavior of single-crystal TATB

, Authors: Matthew Kroonblawd, Brad Steele, Matthew Nelms, Laurence Fried, Ryan Austin
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-0jbhj
 
Subject: Chemistry
,
Working Paper
, Title:

Visualization of spatial electrochemical activity via a combined thermal-electric potentiostat

, Authors: Hugo-Pieter Iglesias van Montfort, Thomas Burdyny
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-kk41s
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Dynamic Computational Strategy for Heterogeneous Catalysis Based on Neural Network Potential Energy Surface: A Case Study of Temperature-Dependent Thermodynamics and Kinetics for the Chemisorbed on-surface CO

, Authors: Jun Chen, Tan Jin, Tonghao Shen, Mingjun Yang, Zhe-Ning Chen
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-jpk9v
 
Subject: Chemistry
,
Working Paper
, Title:

Computer Quiz Games in General Chemistry for Engineering Majors in an English as a Second Language Environment

, Authors: Szu Szu Ling, Fabrice Saffre, Deborah L. Gater, Lilia Halim, Abdel F. Isakovic
Version undefined posted 01 October 2021
Posted
Oct 01, 2021
10.26434/chemrxiv-2021-5g682
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Domestic Institutional Design and the National Interest in Trade Negotiations

, Authors: Vinicius Rodrigues Vieira
Version undefined posted 02 October 2021
Posted
Oct 02, 2021
10.33774/apsa-2021-5m633
 
Subject: Chemistry
,
Working Paper
, Title:

Direct C-H-Sulfonylation of 6-Membered Nitrogen-Heteroaromatics

, Authors: Marius Friedrich, Lisa Schulz, Kamil Hofman, Rene Zangl, Nina Morgner, Saad Shaaban, Georg Manolikakes
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-9kgn9
 
Subject: Chemistry
,
Working Paper
, Title:

Protein pKa prediction with machine learning

, Authors: Zhitao Cai, Fangfang Luo, Yongxian Wang, Enling Li, Yandong Huang
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-7gk5l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structure of the active pharmaceutical ingredient bismuth subsalicylate

, Authors: Erik Svensson Grape, Victoria Rooth, Mathias Nero, Tom Willhammar, A. Ken Inge
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-q0vht-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Combining genetically engineered oxidase with hydrogen bonded organic framework (HOF) for highly efficient biocomposites.

, Authors: Peter Wied, Francesco Carraro, Juan Bolivar, Christian Doonan, Paolo Falcaro, Bernd Nidetzky
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-4dr2w
 
Subject: Chemistry
,
Working Paper
, Title:

Photophysical Properties of Benzophenone Based TADF Emitters in Relation to Their Molecular Structure

, Authors: Ekin Esme Bas, Pelin Ulukan, Antonio Monari, Viktorya Aviyente, Saron Catak
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-9htkb
 
Subject: Chemistry
,
Working Paper
, Title:

Seeding the Multi-dimensional Nonequilibrium Pulling for Hamiltonian Variation: Indirect Nonequilibrium Free Energy Simulations at QM levels

, Authors: Zhaoxi Sun, Qiaole He
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-x62pb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging molecular structure and bioactivity with chemical language models for drug design

, Authors: Michael Moret, Francesca Grisoni, Cyrill Brunner, Gisbert Schneider
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-xzgst
 
Subject: Chemistry
,
Working Paper
, Title:

Disruption of water networks is the cause of human/mouse species selectivity in urokinase plasminogen activator (uPA) inhibitors derived from hexamethylene amiloride (HMA)

, Authors: Nehad El Salamouni, Benjamin Buckley, Longguang Jiang, Mingdong Huang, Marie Ranson, Michael Kelso, Haibo Yu
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-c6lrq-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Conformation and supramolecular arrangement of 1,3:2,4-dibenzyli-dene-D-sorbitol in solution and in single crystals

, Authors: Fernán Berride, Victor M. Sánchez-Pedregal, Bruno Dacuña, Eurico Cabrita, Armando Navarro-Vázquez, Richard G. Weiss, María Magdalena Cid
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-r9g8r
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular sized Eu-oxide clusters in defining optical properties in crystalline ZnO nanosponges

, Authors: Soham Mukherjee, Sarmad Katea, Emille Rodrigues, Carlo Segre, Eva Hemmer, Peter Broqvist, Håkan Rensmo, Gunnar Westin
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-16kq7
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of the degree of protonation of amino acid dopants in Chirality amplification in DSCG Lyotropic Nematic phases.

, Authors: Fernán Berride, Eduardo Troche-Pesqueira, Richard G. Weiss, Armando Navarro-Vázquez, María Magdalena Cid
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-5r8gf
 
Subject: Chemistry
,
Working Paper
, Title:

Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory

, Authors: Abhishek Mitra, Hung Pham, Riddhish Pandharkar, Matthew Hermes, Laura Gagliardi
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-3p2sx
 
Subject: Chemistry
,
Working Paper
, Title:

Targeted Activation in Localized Protein Environments via Deep Red Photoredox Catalysis

, Authors: Nicholas Tay, Keun Ah Ryu, John Weber, Aleksandra Olow, David Reichman, Rob Oslund, Olugbeminiyi Fadeyi, Tomislav Rovis
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-x9bjv
 
Subject: Chemistry
,
Working Paper
, Title:

Separation of Enantiomers through Local Vorticity: A Screw Model Mechanism

, Authors: Anderson Duraes, J. Daniel Gezelter
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-196zw
 
Subject: Chemistry
,
Working Paper
, Title:

Donor-Acceptor Pyridinium Salts for Photo-Induced Electron Transfer Driven Modification of Tryptophan in Peptides, Proteins, and Proteomes using Visible Light

, Authors: Caleb Hoopes, Francisco Garcia, Akash Sarkar, Nicholas Kuehl, David Barkan, Nicole Collins, Chien-Hsang Hsu, Michael Jones, Markus Schirle, Michael Taylor
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-r2nd2
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of SARS-CoV-2 Papain-like protease (PLpro) inhibitors using combined computational approach

, Authors: Milan Sencanski, Vladimir Perovic, Jelena Milicevic, Tamara Todorovic, Radivoje Prodanovic, Veljko Veljkovic, Slobodan Paessler, Sanja Glisic
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-39cd6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Least-Squares Fitting of Multidimensional Spectra to Kubo Lineshape Models

, Authors: Kevin Robben, Christopher Cheatum
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-80x38
 
Subject: Chemistry
,
Working Paper
, Title:

Dimensional control over metal halide perovskite crystallization guided by active learning

, Authors: Zhi Li, Philip Nega, Mansoor Najeeb, Chaochao Dun, Matthias Zeller, Jeffrey Urban, Wissam Saidi, Joshua Schrier, Alexander Norquist, Emory Chan
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-w2c7b
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Himastatin

, Authors: Kyan D'Angelo, Carly Schissel, Bradley Pentelute, Mohammad Movassaghi
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-0swk6
 
Subject: Chemistry
,
Working Paper
, Title:

Designing Highly Luminescent Molecular Aggregates via Bottom-Up Nanoscale Engineering

, Authors: Ulugbek Barotov, Megan Klein, Lili Wang, Moungi Bawendi
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-p28qd
 
Subject: Chemistry
,
Working Paper
, Title:

Tandem C–O and C–H Activation at Palladium Enables Catalytic Direct C–H Alkenylation with Enol Pivalates

, Authors: Nahiane Pipaon Fernandez, Gregory Gaube, Kyla Woelk, Mathias Burns, David Leitch
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-s62r6
 
Subject: Chemistry
,
Working Paper
, Title:

Moisture-assisted Near-UV Emission Enhancement of Lead-free Cs4CuIn2Cl12 Double Perovskite Nanocrystals

, Authors: Maning Liu, Sri Kasi Matta, Anastasia Matuhina, G. Krishnamurthy Grandhi, Harri Ali-Löytty, Salvy P. Russo, Paola Vivo
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-crt1f
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-Free Stereoselective Cationic Polymerization of Vinyl Ethers by Employing a Confined Brønsted Acid as the Catalyst

, Authors: Zan Yang, Xun Zhang, Yu Jiang, Qiang Ma, Saihu Liao
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.26434/chemrxiv-2021-qlpbp
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Teaching Theory and Space: Human Territoriality in Political Science

, Authors: Halit M.E. Tagma
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.33774/apsa-2021-c40jw
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Authoritarian Leadership Politics and Constraints on the Executive: A Mediation Analysis of Ideology, Populism, and Civil Group Balance of Power

, Authors: Tom Hanna
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.33774/apsa-2021-xhkdv
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Voluntary Sacrifice of Freedom: Why Are Some Chinese Nationals Supporting Government Censorship?

, Authors: Ziyi Wu
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.33774/apsa-2021-srb7m
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Attacking with Their Own Words: The Use of Censored Sources by the Party Media in China

, Authors: Ziyi Wu
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.33774/apsa-2021-9bpgs
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Hannah Arendt and Representative Democracy: Authority as a Non-Foundational Category

, Authors: Lelde Luik
Version undefined posted 04 October 2021
Posted
Oct 04, 2021
10.33774/apsa-2021-mc04c
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of stereoenriched piperidines via chemo-enzymatic dearomatization of activated pyridines

, Authors: Vanessa Harawa, Thomas Thorpe, James Marshall, Amelia Gilio, Rachel Heath, Antonio Angelastro, James Finnigan, Simon Charnock, Gideon Grogan, Roger Whitehead, Nicholas Turner
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-bdgqd
 
Subject: Chemistry
,
Working Paper
, Title:

Hydration dynamics gives the distinctive brown color in the "brown ring" nitrate test

, Authors: Ambar Banerjee, Michael R. Coates, Michael Odelius
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-xtlzj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Elevating Density Functional Theory to Chemical Accuracy for Water Simulations through a Density-Corrected Many-Body Formalism

, Authors: Saswata Dasgupta, Eleftherios Lambros, John Perdew, Francesco Paesani
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-hstgf-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Design, Synthesis, and Evaluation of Trivalent PROTACs Having a Functionalization Site with Controlled Orientation

, Authors: Yifan Huang, Hiromasa Yokoe, Ai Kaiho-Soma, Kazunori Takahashi, Yusuke Hirasawa, Hiroshi Morita, Fumiaki Ohtake, Naoki Kanoh
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-8cp0q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene

, Authors: Penghua Ying, Ting Liang, Yao Du, Jin Zhang, Xiaoliang Zeng, Zheng Zhong
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-vb29j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On the electrooxidation of glucose on gold: towards an electrochemical glucaric acid production as value-added chemical

, Authors: Nicolas Schlegel, Gustav Wiberg, Matthias Arenz
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-ss7lk
 
Subject: Chemistry
,
Working Paper
, Title:

Absolute optical chiral analysis using cavity-enhanced polarimetry

, Authors: Lykourgos Bougas, Joseph Byron, Dmitry Budker, Jonathan Williams
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-2c93p
 
Subject: Chemistry
,
Working Paper
, Title:

MALDI TIMS IMS of Disialoganglioside Isomers – GD1a and GD1b in Murine Brain Tissue

, Authors: Katerina Djambazova, Martin Dufresne, Lukasz Migas, Angela Kruse, Raf Van de Plas, Richard Caprioli, Jeffrey Spraggins
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-tkzc6
 
Subject: Chemistry
,
Working Paper
, Title:

Substituents of life: The most common substituent patterns present in natural products

, Authors: Peter Ertl
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-qwcg3
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Guides Peptide Nucleic Acid Flow Synthesis and Sequence Design

, Authors: Chengxi Li, Genwei Zhang, Somesh Mohapatra, Alex Callahan, Andrei Loas, Rafael Gomez-Bombarelli, Bradley Pentelute
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-dr3mf
 
Subject: Chemistry
,
Working Paper
, Title:

The transfer and persistence of metals in latent fingermarks

, Authors: Rhiannon Boseley, Daryl Howard, Mark Hackett, Simon Lewis
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-kvtmv
 
Subject: Chemistry
,
Working Paper
, Title:

Classifying Natural Products from Plants, Fungi or Bacteria using the COCONUT Database and Machine Learning

, Authors: Alice Capecchi, Jean-Louis Reymond
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-gxjgc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Ozone Generation Using Compacted High Pressure High Temperature Boron Doped Diamond Microparticle Electrodes

, Authors: Georgia Wood, Irina Terrero Rodriguez, Josh Tully, Shayantan Chaudhuri, Julie Macpherson
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-00rj4
 
Subject: Chemistry
,
Working Paper
, Title:

Targeted Fluorogenic Cyanine Carbamates Enable In Vivo Analysis of Antibody-Drug Conjugate Linker Chemistry

, Authors: Syed Usama, Sierra Marker, Donald Caldwell, Nimit Patel, Yang Feng, Joseph Kalen, Brad St Croix, Martin Schnermann
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.26434/chemrxiv-2021-mhj20-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Global Firms and Global Sheriffs? Why Territory Matters for Extraterritorial Enforcement of Regulatory Regimes

, Authors: Lorenzo Crippa
Version undefined posted 05 October 2021
Posted
Oct 05, 2021
10.33774/apsa-2021-xpk9x
 
Subject: Chemistry
,
Working Paper
, Title:

PRISMA: A robust and intuitive tool for high-throughput processing of chemical spectra

, Authors: Eibar Flores, Nataliia Mozhzhukhina, Xinyu Li, Poul Norby, Aleksandar Matic, Tejs Vegge
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-7qs3m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Application of Virtual Reality in Chemical Education Using Intermolecular Force Display System HaptiChem

, Authors: Hiroko Satoh, Akira Narita, Atsushi Aoki, Katsuhito Akahane, Makoto Sato
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-pddld-v2
 
Subject: Chemistry
,
Working Paper
, Title:

pH-responsive polymer-based biomacromolecule nanosponges as biodegradable carriers for DOX delivery

, Authors: Marzieh Heidari Nia, Said Ashkar, Jose G. Munguia-Lopez, Joseph M. Kinsella, Theo G.M. van de Ven
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-43zr3
 
Subject: Chemistry
,
Working Paper
, Title:

The Volumetric Properties of the Transition State Ensemble for Protein Folding

, Authors: Samvel Avagyan, George Makhatadze
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-svw4f
 
Subject: Chemistry
,
Working Paper
, Title:

Atomistic Nodal Approach: a General Molecular Dynamics Method For Computing Local Thermal Conductance at Atomistic Resolution

, Authors: Mingxuan Jiang, Juan D. Olarte-Plata, Fernando Bresme
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-fz10d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

, Authors: Nicholas Jackson, Ganesh Sivaraman
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-bkdfv
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Functional Annotation of Hypothetical Protein AVO28_00330 of Yersinia pestis: An In Silico Approach

, Authors: Sunzid Ahmed
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-bbh7c
 
Subject: Chemistry
,
Working Paper
, Title:

PoreMatMod.jl: Julia package for in silico post-synthetic modification of crystal structure models

, Authors: E. Adrian Henle, Nickolas Gantzler, Praveen K. Thallapally, Xiaoli Z. Fern, Cory M. Simon
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-vx5r3
 
Subject: Chemistry
,
Working Paper
, Title:

A scalable and continuous access to pure cyclic polymers enabled by quarantined heterogeneous catalysts

, Authors: Ki-Young Yoon, Jinkyung Noh, Quan Gan, Julian Edwards, Robert Tuba, Tae-Lim Choi, Robert Grubbs
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-270bw
 
Subject: Chemistry
,
Working Paper
, Title:

FRET Pumping of Rhodamine-Based Probe in Light-Harvesting Nanoparticles for Highly Sensitive Detection of Cu2+

, Authors: Aleksandr Mironenko, Mikhail Tutov, Aleksandr Chepak, Svetlana Bratskaya
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-m0np8
 
Subject: Chemistry
,
Working Paper
, Title:

Study of Antibacterial effects on Indian Currency

, Authors: Aniruddha Hore, Saptarshi Mitra, Sandip Ghosh, Avijit Ghosh, Sujoy Bose
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-vvqjz
 
Subject: Mathematics
,
Working Paper
, Title:

The Complete Proof of the Riemann Hypothesis

, Authors: Frank Vega
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.33774/coe-2021-3lzb4-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Role of the Correlation Effect Revealed in the Exceptionally Slow Autodetachment Rates of the Vibrational Feshbach Resonances in the Dipole-Bound State

, Authors: Do Hyung Kang, Jinwoo Kim, Sang Kyu Kim
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-jb3dm
 
Subject: Chemistry
,
Working Paper
, Title:

Photoredox-Mediated, Nickel-Catalyzed Trifluoromethylthiolation of Aryl and Heteroaryl Iodides

, Authors: Christopher S. Gravatt, Jeffrey W. Johannes, Avipsa Ghosh
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-18xd5
 
Subject: Chemistry
,
Working Paper
, Title:

Photoconductivity of Intrinsic Semiconductor Phthalocyanine-Based Covalent Organic Polymer with Benzimidazole Linkage

, Authors: Ercan Duygulu, Onur Alev, Yurii Chumakov, Zafer Ziya Öztürk, MEHMET MENAF AYHAN, Fatma Yüksel
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-snnr7
 
Subject: Chemistry
,
Working Paper
, Title:

The repetitive local sampling and the local distribution theory

, Authors: PU TIAN
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-v223l-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen Bonding Networks Enable Brønsted Acid-Catalyzed Carbonyl-Olefin Metathesis

, Authors: Tuong Anh To, Chao Pei, Rene Koenigs, Thanh Vinh Nguyen
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-gpllr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Divergent effects of laser irradiation on ensembles of nitrogen-vacancy centers in bulk and nano-diamonds: implications for biosensing

, Authors: Domingo Olivares Postigo, Federico Gorrini, Valeria Bitonto, Johannes Ackermann, Rakshyakar Giri, Anke Krueger, Angelo Bifone
Version undefined posted 06 October 2021
Posted
Oct 06, 2021
10.26434/chemrxiv-2021-llrtb
 
Subject: Chemistry
,
Working Paper
, Title:

Virtual screening of norbornadiene-based molecular solar thermal energy storage systems using a genetic algorithm

, Authors: Nicolai Ree, Mads Koerstz, Kurt V. Mikkelsen, Jan H. Jensen
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-zd39r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Medium and Large N-Heterocycle Formation via Allene Hydroamination with a Bimetallic Rh(I) Catalyst

, Authors: Kelton Forson, Benjamin Bohman, Coriantumr Wayment, Rachel Owens, Caitlyn McKnight, Rhen Davis, Lillian Stillwell, Stacey Smith, David Michaelis
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-dm5jq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Biocatalytic oxidative cross-coupling reactions for biaryl bond formation

, Authors: Lara Zetzsche, Jessica Yazarians, Suman Chakrabarty, Meagan Hinze, April Lukowski, Leo Joyce, Alison Narayan, Lauren Murray
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-v0bv6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Small Organic molecule Based on Benzothiadiazole for Electrocatalytic Hydrogen Production

, Authors: Martin Axelsson, Cleber F. N. Marchiori, Ping Huang, C. Moyses Araujo, Haining Tian
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-kwrtm-v2
 
Subject: Law
,
Working Paper
, Title:

Obtaining Damages for Corporate Human Rights Violations in Investment Arbitration Through a Procedural Lens

, Authors: Yasmin S
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.33774/coe-2021-gstvw
 
Subject: Philosophy
,
Working Paper
, Title:

The Properly Improper: Making Sense of Humanity through Derrida, Butler and Rosaldo

, Authors: Manali Arora
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.33774/coe-2021-xj8r1
 
Subject: Chemistry
,
Working Paper
, Title:

An Easily Prepared Monomeric Cobalt(II) Tetrapyrrole Complex that Efficiently Promotes the 4e–/4H+ Peractivation of O2 to Water

, Authors: Qiuqi Cai, Linh Tran, Tian Qiu, Jennifer Eddy, Glenn Yap, Joel Rosenthal
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-vjzll
 
Subject: Chemistry
,
Working Paper
, Title:

Biodegradable polysarcosine with inserted alanine residues: Synthesis and enzymolysis

, Authors: Peng Zhou, Jun Ling
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-vcfl6
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of photocrosslinking peptide ligands by mRNA display

, Authors: Yuteng Wu, M. Teresa Bertran, Dhira Joshi, Sarah Maslen, Catherine Hurd, Louise Walport
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-mt8jt
 
Subject: Chemistry
,
Working Paper
, Title:

Coumarin-bisureas as potent fluorescent transmembrane anion transporters

, Authors: Mohamed Fares, Xin Wu, Daniel A. McNaughton, Alexander M. Gilchrist, William Lewis, Paul A. Keller, Alain Arias-Betancur, Ricardo Pérez-Tomás, Philip Alan Gale
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-wd9sd
 
Subject: Chemistry
,
Working Paper
, Title:

Selective binding of small molecules to Vibrio cholerae DsbA offers a starting point for the design of novel antibacterials

, Authors: Geqing Wang, Biswaranjan Mohanty, Martin Williams, Bradley Doak, Rabeb Dhouib, Makrina Totsika, Róisín Macmahon, Gaurav Sharma, Dan Zheng, Matthew Bentley, Yanni Ka-Yan Chin, James Horne, David Chalmers, Begona Heras, Martin Scanlon
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-stw44
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Surrogates Construction of Chemical Processes: Case studies on Pressure Swing Adsorption and Gas-to-Liquids

, Authors: Zhimian Hao, Chonghuan Zhang, Alexei Lapkin
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-v88c7
 
Subject: Chemistry
,
Working Paper
, Title:

Cationic yet Stronger Donor: A Surprising Partner Effect and the Partner Strategy in Accelerating a Pincer-Co Catalyzed Nitrile Hydroboration Reaction

, Authors: Yumiao Ma
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-4p5lz
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The State of the Health (Dis)-Union in the EU: the legacy of austerity under the trial of Covid-19

, Authors: Matilde Ceron, Carlo Maria Palermo
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.33774/apsa-2021-kk92t
 
Subject: Chemistry
,
Working Paper
, Title:

A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions

, Authors: Zhaoxi Sun, Qiaole He, Zhihao Gong, Payam Kalhor, Zhe Huai, Zhirong Liu
Version undefined posted 07 October 2021
Posted
Oct 07, 2021
10.26434/chemrxiv-2021-43t48
 
Subject: Chemistry
,
Working Paper
, Title:

Manganese Catalyzed Reformation of Ethylene Glycol to Glycolic acid and Lactic Acid

, Authors: Satyadeep Waiba, BIplab Maji
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-mjpkz
 
Subject: Chemistry
,
Working Paper
, Title:

Improvement of poly(3-hexylthiophene-2,5-diyl) electron mobility through complete elimination of regioregularity defects

, Authors: Ali Nawaz, Marlus Koehler, Anil Kumar, Leandro Merces, Anne B. R. Abreu, Carlos C. B. Bufon, Jose P. M. Serbena, Ivo A. Hummelgen
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-n177f
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging the experiment-calculation divide: machine learning corrections to redox potential calculations in implicit and explicit solvent models

, Authors: Eugen Hruska, Ariel Gale, Fang Liu
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-mthjp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A comprehensive investigation of Li-ion conductivity in lithium hydroxy halide antiperovskite solid electrolytes

, Authors: Hyeon Jeong Lee, Brigita Darminto, Sudarshan Narayanan, Maria Diaz-Lopez, Albert Xiao, Yvonne Chart, Ji Hoon Lee, James Dawson, Mauro Pasta
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-4dnn0
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of a Range-Separated UW12 Hybrid Functional

, Authors: Zack Williams, Frederick Manby
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-tnw0w
 
Subject: Chemistry
,
Working Paper
, Title:

Encoding stereochemical molecular information on cyclophanes using non-directional interactions and achiral building blocks

, Authors: Yuan Zhang, Benjamin Ourri, Pierre-Thomas Skowron, Emeric Jeamet, Ana Belenguer, nicolas Vanthuyne, olivier cala, Pradeep Mandal, Christian Duchamp, Elise Dumont, Florent Perret, Laurent Vial, Ivan Huc, Julien Leclaire
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-p1kvx
 
Subject: Chemistry
,
Working Paper
, Title:

A quadruplex-DNA binder functionalised with a SPECT probe for in vivo imaging

, Authors: Rainbow Lo, Gilbert Fruhwirth, Ramon Vilar
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-7g0hb
 
Subject: Chemistry
,
Working Paper
, Title:

Independent component analysis combined with Laplace inversion of spectrally resolved spin-alignment echo/T1 3D 7Li NMR of superionic Li10GeP2S12

, Authors: Marc C. Paulus, Anja Paulus, Rüdiger-A. Eichel, Josef Granwehr
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-3hj92
 
Subject: Chemistry
,
Working Paper
, Title:

All-atomistic molecular dynamics study of the glass transition of amorphous polymers

, Authors: Zhiye Tang, Susumu Okazaki
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-wk4h0
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic reduction of nicotinamide co-factor by perylene sensitized Rh(III) complexes

, Authors: Jannik Brückmann, Carolin Müller, Ilse Friedländer, Alexander Mengele, Kalina Peneva, Sven Rau, Benjamin Dietzek-Ivanšić
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-g9bfz
 
Subject: Chemistry
,
Working Paper
, Title:

The Two Faces of the Liquid Ordered Phase

, Authors: Itay Schachter, Riku Paananen, Balazs Fabian, Piotr Jurkiewicz, Matti Javanainen
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-qk5xv
 
Subject: Chemistry
,
Working Paper
, Title:

Photo-excited Intramolecular Charge Transfer In Dye Sensitizers : Predictive In-silico Screening for Dye Sensitized Solar Cell Devices

, Authors: Kalyani Chordiya, Ehesan Ali, Mousumi Upadhyay Kahaly
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-3xx77
 
Subject: Chemistry
,
Working Paper
, Title:

Red-Light Triggered Photouncaging from Dicyanomethylene-4H-pyran Phototrigger in Aqueous Solution: Applied as a Single Component Nano-Drug Delivery System for Cancer Therapy

, Authors: Biswajit Roy, Rakesh Mengji, Moumita Kundu, Sujit Ghosh, Mahitosh Mondal, Avijit Jana, N. D. Pradeep Singh
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-wt095
 
Subject: Chemistry
,
Working Paper
, Title:

Ebola: Destroys Na+/K+ Ion Exchange to Accelerate Electrolyte Imbalance by Scorpion Venom-like System

, Authors: wenzhong liu, hualan li
Version undefined posted 08 October 2021
Posted
Oct 08, 2021
10.26434/chemrxiv-2021-1n5l8
 
Subject: Chemistry
,
Working Paper
, Title:

Confined Pulsed Diffuse Layer Charging for Nanoscale Electrodeposition with an STM

, Authors: Mark Aarts, Alain Reiser, Ralph Spolenak, Esther Alarcon-Llado
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-qzr0t
 
Subject: Chemistry
,
Working Paper
, Title:

Preparation of Multicore Colloidosomes: Nanoparticle-Assembled Capsules with Adjustable Size, Internal Structure, and Functionalities for Oil Encapsulation

, Authors: David F.F. Brossault, Thomas M. McCoy, Alexander F. Routh
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-ccptv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Validation Study on the Simultaneous Quantification of Multiple Wine Aroma Compounds with Static Headspace-Gas Chromatography-Ion Mobility Spectrometry (SHS-GC-IMS)

, Authors: Wenyao Zhu, Frank Benkwitz, Bahareh Sarmadi, Paul Kilmartin
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-z9nvp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Raman Tweezers for Tire and Road Wear Micro- and Nanoparticles analysis

, Authors: Gillibert Raymond, Alessandro Magazzù, Agnese Callegari, David Brente Ciriza, Foti Antonino, Maria Grazia Donato, Onofrio M. Maragò, Giovanni Volpe, Marc Lamy de La Chapelle, Fabienne Lagarde, Pietro Giuseppe Gucciardi
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-h59n1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

NIR-Responsive Lysosomotropic Phototrigger: ʽAIE + ESIPTʼ Active Naphthalene Based Single Component Photoresponsive Nanocarrier with Two-Photon Uncaging and Real-Time Monitoring Ability

, Authors: Biswajit Roy, Rakesh Mengji, Samrat Roy, Bipul Pal, Avijit Jana, N. D. Pradeep Singh
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-nftrb
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Observation of Ultrafast Exciton Localization in an Organic Semiconductor with Soft X-ray Transient Absorption Spectroscopy

, Authors: Douglas Garratt, Lukas Misiekis, David Wood, Esben Witting Larsen, Mary Matthews, Oliver Alexander, Peng Ye, Sebastian Jarosch, Clement Ferchaud, Artem Bakulin, Thomas Penfold, Jon Marangos
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-bm7nj
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of a Pyrimidinone Series for Selective Inhibition of Ca2+/Calmodulin-Stimulated Adenylyl Cyclase 1 Activity for the Treatment of Chronic Pain

, Authors: Jason Scott, Monica Soto-Velasquez, Michael Hayes, Justin Lavigne, Heath Miller, Jatinder Kaur, Karin Ejendal, Val Watts, Daniel Flaherty
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-h5hhv
 
Subject: Chemistry
,
Working Paper
, Title:

High-entropy intermetallics serve an ultrastable single-atom Pt for propane dehydrogenation

, Authors: Yuki Nakaya, Eigo Hayashida, Hiroyuki Asakura, Ken-ichi Shimizu, Shinya Furukawa
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-7pz5m
 
Subject: Chemistry
,
Working Paper
, Title:

Unified Template Strategy for Editing Multiple Remote C–H Bonds

, Authors: Zhoulong Fan, Xiangyang Chen, Keita Tanaka, Han Seul Park, Nelson Y. S. Lam, Jonathan J. Wong, K. N. Houk, Jin-Quan Yu
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-r8zv6
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidation state variation in bis-calix[4]arene supported decametallic Mn clusters

, Authors: Euan Brechin, Scott Dalgarno, Lucinda Wilson, Marco Coletta, Gopalan Rajaraman, Reshma Jose
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-t0xh5
 
Subject: Chemistry
,
Working Paper
, Title:

Ag(I)/PPh3-Catalyzed Diastereoselective Syntheses of the Spiro[indole-3,4'-piperidine] Scaffold and Its Derivatives via Chelation-Controlled Cycloisomerizations of Tryptamine-Ynamides

, Authors: Yanyu Chen, Zhaobo Wang, Shitao Sun, Lu Yang, Fukai Xie, Junpeng Zhang, Di Zhang, Maosheng Cheng, Bin Lin, Yongxiang Liu
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-xr0sj
 
Subject: Chemistry
,
Working Paper
, Title:

Stable open-shell aromatic nitric acid radicals: accessing highly efficient photothermal conversion with restricted radiative decay

, Authors: zejun wang, Zhou Jiawen, Yiheng Zhang, Weiya Zhu, Yuan Li
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-1bkkg
 
Subject: Chemistry
,
Working Paper
, Title:

Layered Structures of Assembled Imine-Linked Macrocycles and Two-Dimensional Covalent Organic Frameworks Give Rise to Prolonged Exciton Lifetimes

, Authors: Waleed Helweh, Nathan Flanders, Shiwei Wang, Brian Phelan, Pyosang Kim, Michael Strauss, Rebecca Li, Matthew Kelley, Matthew Kirschner, Dillon Edwards, Austin Spencer, George Schatz, Richard Schaller, William Dichtel, Lin Chen
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-b1qjt
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of (–)-Kopsifoline A and (+)-Kopsifoline E

, Authors: In-Soo Myeong, Nadide Hazal Avci, Mohammad Movassaghi
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-dlczq
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Cysteine Chemoproteomic Coverage Through Systematic Assessment of Click Chemistry Product Fragmentation

, Authors: Tianyang Yan, Andrew Palmer, Daniel Geiszler, Dan Polansky, Ernest Armenta, Alexey Nesvizhskii, Keriann Backus
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-4b291
 
Subject: Chemistry
,
Working Paper
, Title:

Efficiently transforming from values of a function on a sparse grid to basis coefficients

, Authors: Tucker CARRINGTON, Robert Wodraszka
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-cn0px
 
Subject: Chemistry
,
Working Paper
, Title:

Human Carboxylesterase 2 in Cocaine Metabolism

, Authors: Pedro R. Figueiredo, Ricardo D. González, Alexandra T.P. Carvalho
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-t5939
 
Subject: Chemistry
,
Working Paper
, Title:

Ideal Gas Reference for Association and Dissociation Reactions: II. Kinetic Reference Potentials and Concentration Bias in Electrolysis

, Authors: Tobias Binninger, Adrian Heinritz, Rhiyaad Mohamed
Version undefined posted 11 October 2021
Posted
Oct 11, 2021
10.26434/chemrxiv-2021-750cc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ideal Gas Reference for Association and Dissociation Reactions: I. Basic Concepts

, Authors: Tobias Binninger, Adrian Heinritz, Rhiyaad Mohamed
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-w1bm5
 
Subject: Chemistry
,
Working Paper
, Title:

Tetraphenylporphyrin Enters the Ring: First Example of a Complex Between Highly Bulky Porphyrins and a Protein

, Authors: Yuma Shisaka, Erika Sakakibara, Kazuto Suzuki, Joshua Kyle Stanfield, Hiroki Onoda, Garyo Ueda, Miu Hatano, Hiroshi Sugimoto, Osami Shoji
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-3bzl6
 
Subject: Chemistry
,
Working Paper
, Title:

Forecasting Nonadiabatic Dynamics using Hybrid Convolutional Neural Network/Long Short-Term Memory Network

, Authors: Daxin Wu, Zhubin Hu, Jiebo Li, Xiang Sun
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-bfr9f
 
Subject: Chemistry
,
Working Paper
, Title:

Fabrication of Semi-Transparent SrTaO2N Photoanodes with a GaN Underlayer Grown via Atomic Layer Deposition

, Authors: Can Lu, Nathan O´Brien, Polla Rouf, Richard Dronskowski, Henrik Pedersen, Adam Slabon
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-5q5g5
 
Subject: Chemistry
,
Working Paper
, Title:

Vinylcyclopropane [3+2] Cycloaddition with Acetylenic Sulfones Based on Visible Light Photocatalysis

, Authors: Adriana Luque, Jonathan Groß, Till Opatz
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-k7k1w
 
Subject: Chemistry
,
Working Paper
, Title:

Using Automated Synthesis to Understand the Role of Side Chains on Molecular Charge Transport

, Authors: Songsong Li, Edward Jira, Nicholas Angello, Jialing Li, Hao Yu, Jeffrey Moore, Ying Diao, Martin Burke, Charles Schroeder
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-fv76p
 
Subject: Chemistry
,
Working Paper
, Title:

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies

, Authors: Shravan B. Rathod, Pravin B. Prajapati, Ranjan Pal, Mohmedyasin F. Mansuri
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-gvf30-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoplastic transport in aqueous environments: The role of chemo-electric properties and hydrodynamic forces for nanoplastic-mineral interaction.

, Authors: Sascha Müller, Jacek Fiutowski, Horst-Günter Rubahn, Nicole Rita Posth
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-zcv78
 
Subject: Chemistry
,
Working Paper
, Title:

Improving Ligand-Ranking of AutoDock Vina by Changing the Empirical Parameters

, Authors: T. Ngoc Han Pham, Trung Hai Nguyen, Nguyen Minh Tam, Thien Y Vu, Nhat Truong Pham, Nguyen Truong Huy, Binh Khanh Mai, Nguyen Thanh Tung, Minh Quan Pham, Van V. Vu, Son Tung Ngo
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-bhb1j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental and DFT Studies on Cp*Co(III)-Catalyzed Selective C8-Olefination and Oxyarylation of Quinoline N-Oxides with Terminal Alkynes

, Authors: Upendra Sharma, Diksha Parmar, Ankit Kumar Dhiman, Rohit Kumar, Akhhilesh K Sharma
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-srdt7
 
Subject: Chemistry
,
Working Paper
, Title:

Antibacterial Activity of the Root Extracts of Garcinia Kola Against MDR Staphylococcus Aureus : Invitro and Insilico Studies

, Authors: Abdulbasit Haliru Yakubu, Muhammad Mustapha Muhammad
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-hkrf7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE

, Authors: David Peter Kovacs, Cas van der Oord, Jiri Kucera, Alice Allen, Daniel Cole, Christoph Ortner, Gabor Csanyi
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-7qlf5-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Mechanism of Plasmon-Driven Water Splitting: Hot Electron Injection and Near Field Enhancement Effects

, Authors: Jiaquan Huang, Xinyi Zhao, Xunkun Huang, Wanzhen Liang
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-x5lwf
 
Subject: Chemistry
,
Working Paper
, Title:

Finding the Order in Complexity: The Electronic Structure of 14-1-11 Zintl Compounds

, Authors: Yukun Liu, Michael Toriyama, Zizhen Cai, Mengjia Zhao, Fei Liu, G. Jeffrey Snyder
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-k6tf3
 
Subject: Chemistry
,
Working Paper
, Title:

Glenthenamines A–F: Enamine pyranonaphthoquinones from the Australian pasture plant-derived Streptomyces sp. CMB-PB042

, Authors: Taizong Wu, Angela Salim, Hui Cui, Zeinab Khalil, Paul Bernhardt, Robert Capon
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-pxgsq
 
Subject: Chemistry
,
Working Paper
, Title:

Computational data analysis shows that key developments towards the periodic system occurred in the 1840s

, Authors: Wilmer Leal, Eugenio J. Llanos, Andres Bernal, Peter F. Stadler, Jürgen Jost, Guillermo Restrepo
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-2frpz
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Selective Anion Recognition, Extraction and Deep Removal Using a Superphane

, Authors: Wei Zhou, Aimin Li, Qing He
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-zcdzn
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating cepharanthine analogues as natural drugs against SARS-CoV-2

, Authors: Atsushi Hijikata, Clara Shionyu-Mitsuyama, Setsu Nakae, Masafumi Shionyu, Motonori Ota, Shigehiko Kanaya, Takatsugu Hirokawa, Shugo Nakajima, Koichi Watashi, Tsuyoshi Shirai
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-mcf3k
 
Subject: Chemistry
,
Working Paper
, Title:

Data Synchronization in Operando Gas and Heating TEM

, Authors: Fan Zhang, Merijn Pen, Ronald G. Spruit, Hugo Perez Garza, Wei Liu, Dan Zhou
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-j1t52
 
Subject: Chemistry
,
Working Paper
, Title:

Combined use of total fluorine and oxidative fingerprinting for quantitative determination of side-chain fluorinated polymers in textiles

, Authors: Ioannis Liagkouridis, Raed Awad, Steffen Schellenberger, Merle Plassmann, Ian Cousins, Jonathan Benskin
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-jpxbh
 
Subject: Chemistry
,
Working Paper
, Title:

Making molecules vibrate: Interactive web environment for the teaching of infrared spectroscopy

, Authors: Kevin Maik Jablonka, Luc Patiny, Berend Smit
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-3mktf
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Topochemical Polymerization and Depolymerization of a Crystalline Three-Dimensional Porous Organic Polymer with C–C Bond Linkages

, Authors: Chenyue Sun, Julius Oppenheim, Grigorii Skorupskii, Luming Yang, Mircea Dincă
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-nfn8m
 
Subject: Chemistry
,
Working Paper
, Title:

Controllable phycobilin modification: an alternative photoacclimation response in cryptophyte algae

, Authors: Leah Spangler, Mina Yu, Philip Jeffrey, Gregory Scholes
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-dzdl2
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorinated Dibenzo[a,c]-phenazine-Based Green to Red Thermally Activated Delayed Fluorescent OLED Emitters

, Authors: Gloria Hong, Changfeng Si, Abhishek Kumar Gupta, Claudia Bizzari, Martin Nieger, Ifor Samuel, Eli Zysman-Colman, Stefan Bräse
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-6nkl8
 
Subject: Chemistry
,
Working Paper
, Title:

Self-organization at air-water interfaces emerging from Marangoni and elastocapillary effects directed by amphiphile filament connections.

, Authors: Mitch Winkens, Peter A. Korevaar
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-ttdr9
 
Subject: Chemistry
,
Working Paper
, Title:

A Simple Route to Aqueous Suspensions of Degradable Copolymer Nanoparticles from Radical Ring-Opening Polymerization-Induced Self-Assembly (rROPISA)

, Authors: Chen Zhu, Stephanie Denis, Julien Nicolas
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-4hk17
 
Subject: Chemistry
,
Working Paper
, Title:

Development of an N-Terminal BRD4 Bromodomain-Targeted Degrader

, Authors: Anand Divakaran, Huda Zahid, Wenwei Lin, Taosheng Chen, Dan Harki, william pomerantz
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.26434/chemrxiv-2021-zvq4t
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Covid-19: the place for women in pandemic response in the EU

, Authors: Antonella Zarra, Matilde Ceron
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.33774/apsa-2021-r44lc
 
Subject: Politics and International Relations
,
Working Paper
, Title:

APSA Graduate Placement Report: Analysis of Political Science Placements for 2018-2020

, Authors: Erin McGrath, Ana Diaz
Version undefined posted 12 October 2021
Posted
Oct 12, 2021
10.33774/apsa-2021-jmxt3
 
Subject: Chemistry
,
Working Paper
, Title:

Infinitene: A Helically Twisted Figure-Eight [12]Circulene Topoisomer

, Authors: Kenichiro Itami, Maciej Krzeszewski, Hideto Ito
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-pcwcc
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid structural analysis of minute quantities of organic solids by exhausting 1H polarization in solid-state NMR spectroscopy at fast MAS

, Authors: Zhiwei Yan, Rongchun Zhang
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-66zd8
 
Subject: Chemistry
,
Working Paper
, Title:

Sequence-complementarity dependent co-assembly of phosphodiester-linked aromatic donor-acceptor trimers

, Authors: Nadeema Appukutti, Alex de Vries, Prashant Gudeangadi, Bini Claringbold, Michelle Garrett, Michael Reithofer, Christopher Serpell
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-tvtnv
 
Subject: Chemistry
,
Working Paper
, Title:

Fragment-based Sequential Translation for Molecular Optimization

, Authors: Benson Chen, Xiang Fu, Regina Barzilay, Tommi Jaakkola
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-fzxmk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Microbial fuel cell power overshoot studied with microfluidics: from quantification to elimination

, Authors: Mehran Abbaszadeh Amirdehi, Lingling Gong, Nastaran Khodaparastasgarabad, Bruce E. Logan, Jesse Greener
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-tn0x7
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical evaluation of equilibrium constant for boron isotopes exchange between boric acid and borate in pure and saline water

, Authors: Amin Alibakhshi, Bernd Hartke, Julien Steffen, Carlos Pinilla
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-lpdnx
 
Subject: Chemistry
,
Working Paper
, Title:

Carbene Character in a Series of Neutral PCcarbeneP Cobalt(I) Complexes – Radical Carbenes Versus Nucleophilic Carbenes

, Authors: Marissa Clapson, Justin Kirkland, Warren Piers, Daniel Ess, Benjamin Gelfand, Jian-Bin Lin
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-4fpw4
 
Subject: Chemistry
,
Working Paper
, Title:

Changing the Nature of the Chelating Ligand of Tetracoordinate Boron-Containing PAH Multi-resonant Thermally Activated Delayed Fluorescence Emitters Tunes the Emission from Green to Deep Red

, Authors: Guoyun Meng, Lijie Liu, Zhechang He, David Hall, Xiang Wang, Tai Peng, Xiaodong Yin, Pangkuan Chen, David Beljonne, Yoann olivier, Eli Zysman-Colman, Nan Wang, Suning Wang
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-c4n46
 
Subject: Chemistry
,
Working Paper
, Title:

Enabling modular autonomous feedback-loops in materials science through hierarchical experimental laboratory automation and orchestration

, Authors: Fuzhan Rahmanian, Jackson Flowers, Dan Guevarra, Matthias Richter, Maximilian Fichtner, John Gregoire, Helge Sören Stein
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-kr87t
 
Subject: Chemistry
,
Working Paper
, Title:

Into the Facet-Selectivity of Sequenced Amphiphilic Peptoids at the Au-Water Interface

, Authors: Xin Qi, Biao Jin, Bin Cai, Feng Yan, James De Yoreo, Chun-Long Chen, Jim Pfaendtner
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-77bdj
 
Subject: Chemistry
,
Working Paper
, Title:

Trends in bulk compressibility of Mo2-xWxBC solid solutions

, Authors: Marcus Parry, Jackson Hendry, Samantha Couper, Anton Oliynyk, Aria Mansouri Tehrani, Jakoah Brgoch, Lowell Miyagi, Taylor Sparks
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-3vq3n
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic signature of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states.

, Authors: Justin J. Talbot, Martin Head-Gordon, William H. Miller, Stephen J. Cotton
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-88fxw
 
Subject: Chemistry
,
Working Paper
, Title:

Capturing the Most Active State of a Palladium(0) Cross-Coupling Catalyst

, Authors: Sii Hong Lau, Liye Chen, Illia Kevlishvili, Katherine Davis, Peng Liu, Brad Carrow
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-477kn
 
Subject: Chemistry
,
Working Paper
, Title:

A Cocktail Approach Toward Tunable Organic Afterglow Systems

, Authors: Xiang Ma, Liangwei Ma, Qiangyang Xu, Bingbing Ding, Zizhao Huang, Siyu Sun, He Tian
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-5t2lc
 
Subject: Chemistry
,
Working Paper
, Title:

Integration of biowaste into chemical reaction networks

, Authors: Adarsh Arun, Jana Weber, Zhen Guo, Alexei Lapkin
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-14n0t
 
Subject: Mathematics
,
Working Paper
, Title:

Disproof of the Riemann Hypothesis

, Authors: Frank Vega
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.33774/coe-2021-0xvfk-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Capillaric - Field Effect Transistors

, Authors: Robert Claude Meffan, Julian Menges, Fabian Dolamore, Daniel Mak, Conan Fee, Renwick Dobson, Volker Nock
Version undefined posted 13 October 2021
Posted
Oct 13, 2021
10.26434/chemrxiv-2021-lnbml-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Political Overconfidence Inhibits the Effectiveness of Inoculations Against Misperceptions

, Authors: Ian Anson
Version undefined posted 14 October 2021
Posted
Oct 14, 2021
10.33774/apsa-2021-w1b25
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-State Density Functional Theory for Ground and Excited States

, Authors: Yangyi Lu, Jiali Gao
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-h2bmc
 
Subject: Chemistry
,
Working Paper
, Title:

Immunotargeting of Nanocrystals by SpyCatcher Conjugation of Engineered Antibodies

, Authors: Cassio Pedroso, Victor Mann, Kathrin Zuberbühler, Markus-Frederik Bohn, Jessica Yu, Virginia Altoe, Charles Craik, Bruce Cohen
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-9q5xr
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Manganese-Catalyzed Semihydrogenation of Alkynes with in-situ Generated H2 from KBH4 and Methanol

, Authors: Ronald Farrar-Tobar, Stefan Weber, Zita Csendes, Antonio Ammaturo, Sarah Fleissner, Helmuth Hoffmann, Luis Veiros, Karl Kirchner
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-bk2t8
 
Subject: Chemistry
,
Working Paper
, Title:

In vitro characterization of a nitro-forming oxygenase involved in 3-(trans-2’-aminocyclopropyl)alanine biosynthesis

, Authors: Linlin Pang, Weijing Niu, Yuwei Duan, Liujie Huo, Aiying Li, Jiequn Wu, Youming Zhang, Xiaoying Bian, Guannan Zhong
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-zx6rx
 
Subject: Chemistry
,
Working Paper
, Title:

A New Organocatalytic Desymmetrization Reaction Enables the Enantioselective Total Synthesis of Madangamine E

, Authors: Shinya Shiomi, Benjamin D. A. Shennan, Ken Yamazaki, Ángel L. Fuentes de Arriba, Dhananjayan Vasu, Trevor A. Hamlin, Darren J. Dixon
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-1f3kt
 
Subject: Chemistry
,
Working Paper
, Title:

Microfluidic oxygen tolerability screening of nanocarriers for triplet fusion photon upconversion

, Authors: Jussi Isokuortti, Iiro Kiiski, Tiina Sikanen, Nikita Durandin, Timo Laaksonen
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-v1w7s
 
Subject: Chemistry
,
Working Paper
, Title:

Study of Pseudomonas aeruginosa PPF-1 biofilm formation using microfluidics: effect of magnesium on biofilm detachment in engineered conduits

, Authors: William Y. Harvey, Cynthia Gagné-Thivierge, Sepideh Fakari, Jean Barbeau, Steve Charette, Jesse Greener
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-w487v
 
Subject: Chemistry
,
Working Paper
, Title:

Commercial-Scale Visible-light Trifluoromethylation of 2-Chlorothiophenol using CF3I gas.

, Authors: Kaid Harper, Timothy Grieme, Timothy Towne, Daniel Mack, Moiz Diwan, Yi-Yin Ku, Jeremy Griffin, Robert Miller, En-xuan Zhang, Zhi-qing Liu, Song-yuan Zheng, Ning-ning Zhang, Srinivas Grangula, Jia-long Yuan, Ping-zhong Huang, James Gage
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-z3xm8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Lower Heating Value of Jet Fuel from Hydrocarbon Class Concentration Data and Thermo-Chemical Reference Data: An Uncertainty Quantification

, Authors: Randall Boehm, Zhibin Yang, David Bell, John Feldhausen, Joshua Heyne
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-knj2g
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning dynamic DNA- and peptide-driven self-assembly in DNA-peptide conjugates

, Authors: Emerald Taylor, Akiko Sato, Prashant Gudeangadi, David Beal, James Hopper, Michael Reithofer, Christopher Serpell
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-23rr0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

From Appendage to Crosslinker – Unusual Swelling Behavior in Spiropyran-Modified Hydrogels

, Authors: Michael M. Lerch, Ankita Shastri, Thomas B.H. Schroeder, Amos Meeks, Shucong Li, Anna V. Shneidman, Michael Aizenberg, Joanna Aizenberg
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-s6k4c
 
Subject: Chemistry
,
Working Paper
, Title:

Using transient equilibria (TREQ) to measure the thermodynamics of slowly assembling supramolecular systems

, Authors: Christopher Hennecker, Christophe Lachance-Brais, Hanadi Sleiman, Anthony Mittermaier
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-mvjqq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Putting MicroED to the Test: An Account of the Evaluation of 30 Diverse Pharmaceutical Compounds

, Authors: Jessica E. Burch, Austin G. Smith, Seb Caille, Shawn D. Walker, Ryan Wurz, Victor J. Cee, Jose Rodriguez, D. Gostovic, Kyle Quasdorf, Hosea M. Nelson
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-h3tqz
 
Subject: Chemistry
,
Working Paper
, Title:

Strategies for the De Novo Synthesis of Highly Substituted Pyridine Scaffolds: Unified Total Synthesis of the Limonoid Alkaloids

, Authors: Timothy Newhouse, Alexander Schuppe, Yannan Liu, Yizhou Zhao, Sebastian Ibarran, David Huang, Emma Wang, Jaehoo Lee, Patrick Loria
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-47tvk
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Non-Native B12 Reactivity and Catalysis in the Transcription Factor CarH

, Authors: Xinhang Yang, Benjamin H. R. Gerroll, Yuhua Jiang, Amardeep Kumar, Yasmine S. Zubi, Lane A. Baker, Jared Lewis, Jared C. Lewis
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-dxbj6
 
Subject: Chemistry
,
Working Paper
, Title:

Tandem electrocatalytic N2 fixation via concerted proton-electron transfer

, Authors: Pablo Garrido-Barros, Joseph Derosa, Matthew Chalkley, Jonas Peters
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-j95jg
 
Subject: Mathematics
,
Working Paper
, Title:

Another Criterion For The Riemann Hypothesis

, Authors: Frank Vega
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.33774/coe-2021-wr828-v5
 
Subject: Mathematics
,
Working Paper
, Title:

When the Riemann Hypothesis might be false

, Authors: Frank Vega
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.33774/coe-2021-tc90v
 
Subject: Chemistry
,
Working Paper
, Title:

An Expedited Phenotypic Approach Towards Organic Reaction Generality

, Authors: Cesar N. Prieto Kullmer, Jacob A. Kautzky, Shane W. Krska, Timothy Nowak, Spencer D. Dreher, David W. C. MacMillan
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-8f5ws
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical nano-roughening of gold microstructured electrodes for the enhanced detection of copper and glucose

, Authors: Eduardo Gonzalez Martinez, Sokunthearath (Kevin) Saem, Nadine Beganovic, Jose Moran-Mirabal
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-frhb5
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-fidelity prediction of molecular optical peaks with deep learning

, Authors: Kevin Greenman, William Green, Rafael Gómez-Bombarelli
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-6d2bp
 
Subject: Chemistry
,
Working Paper
, Title:

High performance ambipolar organic mixed ionic-electronic conductor for adaptive logic circuits and neuromorphic electronics

, Authors: Yanxi Zhang, Eveline van Doremaele, Gang Ye, Tim Stevens, Jun Song, Ryan Chiechi, Yoeri van de Burgt
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-46v82
 
Subject: Chemistry
,
Working Paper
, Title:

Bioorthogonal Photo-Catalytic Activation of an Anti-Cancer Prodrug by Riboflavin

, Authors: Xin Yang, Limin Ma, Hongwei Shao, Xia Ling, Mengyu Yao, Guowen Luo, Stefano Scoditti, Emilia Sicilia, Gloria Mazzone, Meng Gao, Ben Zhong Tang
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-pcw03-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Band splitting and plurality of excitons in Ruddlesden-Popper metal halides

, Authors: Giulia Folpini, Maurizia Palummo, Daniele Cortecchia, Luca Moretti, Giulio Cerullo, Annamaria Petrozza, Giacomo Giorgi, Ajay Ram Srimath Kandada
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-qcm36-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A SARS-CoV-2 aptasensor based on electrochemical impedance spectroscopy and low-cost gold electrode substrates.

, Authors: Perrine Lasserre, Banushan Balansethupathy, Vincent J. Vezza, Adrian Butterworth, Alexander MacDonald, Ewen O. Blair, Liam McAteer, Stuart Hannah, Andrew C. Ward, Paul A. Hoskisson, Alistair Longmuir, Steven J. Setford, Eoghan C. W. Farmer, Michael E. Murphy, Harriet Flynn, Damion K. Corrigan
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-08vx4
 
Subject: Chemistry
,
Working Paper
, Title:

Interaction Energy Analysis of Monovalent Inorganic Anions in Bulk Water Versus Air/Water Interface

, Authors: John Herbert, Suranjan Paul
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-xrht0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pyrimidoquinxoalinophenanthroline opens next chapter in design of bridging ligands for artificial photosynthesis

, Authors: Jannik Brückmann, Carolin Müller, Tamar Maisuradze, Alexander Mengele, Djawed Nauroozi, Sven Fauth, Andreas Gruber, Stefanie Gräfe, Kerstin Leopold, Stephan Kupfer, Benjamin Dietzek-Ivansic, Sven Rau
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-bpd20-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Sandacrabins – Structurally unique antiviral RNA polymerase inhibitors from a rare myxobacterium

, Authors: Chantal Bader, Fabian Panter, Ronald Garcia, Egor Tchesnokov, Sibylle Haid, Christine Walt, Cathrin Spröer, Alexander Kiefer, Matthias Götte, Jörg Overmann, Thomas Pietschmann, Rolf Müller
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-6cd1w
 
Subject: Chemistry
,
Working Paper
, Title:

Radical Ring-Opening of Oxetanes Enabled by Co-Catalysis

, Authors: Aleksandra Potrząsaj, Michał Ociepa, Wojciech Chaładaj, Dorota Gryko
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-hj3c1
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical solid state synthesis of a bifunctional copper(I)/N-heterocyclic carbene complex and its catalytic activity in hydrogenative transformations

, Authors: Ina Remy-Speckmann, Birte Zimmermann, Mahadeb Gorai, Teichert Johannes, Martin Lerch
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-z5720
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into the Rhodium-Catalyzed Aryl C–H Carboxylation

, Authors: Deguang Liu
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-zh8d2
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Supervised Learning for Molecular Property Prediction

, Authors: Laurent Dillard
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.26434/chemrxiv-2021-vr43g
 
Subject: Literature
,
Working Paper
, Title:

Venturing Into Feminist Consciousness: Portrayal of Women in Selected Akan Proverbs

, Authors: Grace Danquah
Version undefined posted 15 October 2021
Posted
Oct 15, 2021
10.33774/coe-2021-fds5h
 
Subject: Philosophy
,
Working Paper
, Title:

“Noema” and “Noesis” by Information after Husserl’s Phenomenology Interpreted Formally

, Authors: Vasil Penchev
Version undefined posted 17 October 2021
Posted
Oct 17, 2021
10.33774/coe-2021-x9jq9
 
Subject: Chemistry
,
Working Paper
, Title:

New Insights on the Self-Assembly of Bio-sourced Block Copolymer MH-b-PS in Aqueous Solutions: Nanocorals, Cubosomes & Nanocubes

, Authors: Yomen Atassi, Redouane Borsali
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-bwg91
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Aryl Sulfides by Metal-Free Arylation of Thiols with Diaryliodonium Salts

, Authors: Sudeep Sarkar, Natalia Wojciechowska, Adam A. Rajkiewicz, Marcin Kalek
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-dv1vk
 
Subject: Chemistry
,
Working Paper
, Title:

Computing vibrational energy levels by solving linear equations using a tensor method with an imposed rank

, Authors: Tucker Carrington, Sangeeth Kallullathil
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-qb2jb
 
Subject: Chemistry
,
Working Paper
, Title:

Modulated Self-Assembly of an Interpenetrated MIL-53 Sc Metal-Organic Framework with Excellent Volumetric H2 Storage and Working Capacity

, Authors: Alexander Thom, David Madden, Rocio Bueno-Perez, Ali Al Shakhs, Ciaran Lennon, Ross Marshall, Claire Wilson, Claire Murray, Stephen Thompson, Gemma Turner, Dominic Bara, Stephen Moggach, David Fairen-Jimenez, Ross Forgan
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-nz4gt
 
Subject: Chemistry
,
Working Paper
, Title:

Base dependent 1,3-dithioacetals rearrangement over sulfoxidation under visible-light photocatalysis to access disulfide-linked-dithioesters

, Authors: Dr. Ramakrishna G. Bhat, Pankaj D. Dharpure, Mousumi Behera, Archana S. Thube
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-x9kht
 
Subject: Chemistry
,
Working Paper
, Title:

Activating [FeFe] hydrogenase mimic for hydrogen evolution under visible light

, Authors: Philipp Buday, Chizuru Kasahara, Elisabeth Hofmeister, Daniel Kowalczyk, Michael K. Farh, Saskia Riediger, Martin Schulz, Maria Wächtler, Shunsuke Furukawa, Masaichi Saito, Dirk Ziegenbalg, Stefanie Gräfe, Peter Bäuerle, Stephan Kupfer, Benjamin Dietzek-Ivanšić, Wolfgang Weigand
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-1wh3l-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Can prebiotic reaction systems survive in the wild? An interference chemistry approach

, Authors: Craig Walton, Paul B. Rimmer, Oliver Shorttle
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-4p7pq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Graph Neural Networks Bootstrapped for Synthetic Selection and Validation of Small Molecule Immunomodulators

, Authors: Prageeth R. Wijewardhane, Krupal P. Jethava, Jonathan A Fine, Gaurav Chopra
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-r4xnx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced Collective Motion of Oil Droplets and Concurrent Pattern Formation in Surfactant Solution

, Authors: Tomoya Kojima, Hiroyuki Kitahata, Kouichi Asakura, Taisuke Banno
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-w8lml-v2
 
Subject: Chemistry
,
Working Paper
, Title:

High-Resolution Ion-Flux Imaging of Proton Transport Through Graphene|Nafion Membranes

, Authors: Cameron Bentley, Minkyung Kang, Saheed Bukola, Stephen Creager, Patrick Unwin
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-4qh4f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis

, Authors: Hua-Qi Wang, Shu-Bin Mou, Wen Xiao, Huan Zhou, Xu-Dong Hou, Su-Jing Wang, Qian Wang, Jiali Gao, Zhiyi Wei, Lijun Liu, Zheng Xiang
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-xdbzq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Delivering anion transporters to lipid bilayers in water

, Authors: Daniel A. McNaughton, Tsz Ying (Teresa) To, Bryson A. Hawkins, David E. Hibbs, Philip Alan Gale
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-zslwl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rationally Tailoring Catalysts for the CO Oxidation Reaction by Using DFT Calculations

, Authors: Dengxin Yan, Henrik Kristoffersen, Jack Pedersen, Jan Rossmeisl
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-k8pfz-v3
 
Subject: Chemistry
,
Working Paper
, Title:

In silico investigation of ligand-regulated palladium-catalysed formic acid dehydrative decomposition under acidic conditions

, Authors: Chaoren Shen, Kaiwu Dong, Zhihong Wei, Xinxin Tian
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-dd56w-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Eukaryotic catecholamine hormones influence the chemotactic control of Vibrio campbellii by binding to the coupling protein CheW

, Authors: Angela Weigert Muñoz, Elisabeth Hoyer, Kilian Schumacher, Marianne Grognot, Katja Taute, Stephan Hacker, Stephan Sieber, Kirsten Jung
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-gx4mr
 
Subject: Chemistry
,
Working Paper
, Title:

Cross-conjugation controls the stabilities and photophysical properties of heteroazoarene photoswitches

, Authors: Daniel Adrion, Steven Lopez
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-lx8tx
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal aging of heteroatom substituted Keggin type aluminum oxo polycation solutions: Aggregation behavior and impacts on dissolved organic carbon and turbidity removal

, Authors: Mohammad Shohel, Jack A. Smith, Margaret A. Carolan, Tori Z. Forbes
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-gw0h4
 
Subject: Chemistry
,
Working Paper
, Title:

Tunable and Recyclable Polyesters from CO2 and Butadiene

, Authors: Rachel Rapagnani, Rachel Dunscomb, Alexandra Fresh, Ian Tonks
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-4b5js
 
Subject: Chemistry
,
Working Paper
, Title:

Chemodivergent Organolanthanide Catalyzed C-H a-Mono-1 Borylation of Azines

, Authors: Jacob O. Rothbaum, Alessandro Motta, Yosi Kratish, Tobin Marks
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-38h45
 
Subject: Chemistry
,
Working Paper
, Title:

A One-pot Access to Diastereoselective Benzo[5,6]oxepino[2,3-c]pyrroles via Formal (5+2)-Annulation of Donor-/Acceptor-Type Aryl Vinyl diazosuccinimide with Ketones Under Silver Catalysis

, Authors: Dr. Ramakrishna G. Bhat, Debasish Laha, Kajal B. Meher, Onkar S. Bankar
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-vv9hv
 
Subject: Chemistry
,
Working Paper
, Title:

Comparison of 2D versus 3D diffusion analysis at Nanowire Electrodes: Finite element analysis and experimental study

, Authors: Benjamin O'Sullivan, Shan O'Sullivan, Tarun Naruyan, Han Shao, Bernardo Patella, Ian Seymour, Rosalinda Inguanta, Alan O'Riordan
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-d24m3
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular persistent luminescence imaging with porphyrin derivatives for ultrasensitive image-guided cancer surgery and drug screening

, Authors: Xingchen Duan, Guoqiang Zhang, Shenglu Ji, Yiming Zhang, Jun Li, Hanlin Ou, Zhiyuan Gao, Guangxue Feng, Dan Ding
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-724wt
 
Subject: Chemistry
,
Working Paper
, Title:

In-situ fabrication of metal oxide nanocaps based on biphasic reactions with surface nanodroplets

, Authors: Zixiang Wei, Tulsi Dabodiya, Jian Chen, Qiuyun Lu, Jiasheng Qian, Jia Meng, Hongbo Zeng, Hui Qian, Xuehua Zhang
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-7zh15
 
Subject: Chemistry
,
Working Paper
, Title:

G-quadruplex inducer/stabilizer pyridostatin targets SUB1 to promote cytotoxicity of a transplatinum complex

, Authors: Yinzhu Hou, Tieliang Gan, Tiantian Fang, Yao Zhao, Qun Luo, Xingkai Liu, Luyu Qi, Yanyan Zhang, Feifei Jia, Juanjuan Han, Shumu Li, Shijun Wang, Fuyi Wang
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-p7zl5
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into Ionic Liquid Electrolyte Transport and Structure via Operando Raman Microspectroscopy

, Authors: Jack Fawdon, Gregory Rees, Fabio La Mantia, Mauro Pasta
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-578hl
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Mechanics Enables "Freedom of Design" in Molecular Property Space

, Authors: Leonardo Medrano Sandonas, Johannes Hoja, Brian G. Ernst, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr., Alexandre Tkatchenko
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-q9rc2
 
Subject: Chemistry
,
Working Paper
, Title:

Magnesium-Stabilised Transition Metal Formyl Complexes: Structures, Bonding, and Ethenediolate Formation

, Authors: Joe Parr, Andrew J. P. White, Mark Crimmin
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.26434/chemrxiv-2021-s5ch4
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Examining the Effects of Electoral Systems on Minority Representation in U.S. City Councils Using a Large Sample

, Authors: E. Grant Baldwin
Version undefined posted 18 October 2021
Posted
Oct 18, 2021
10.33774/apsa-2021-csqbr
 
Subject: Chemistry
,
Working Paper
, Title:

Using machine learning to estimate wildfire PM2.5 at California ZIP codes (2006-2020)

, Authors: Rosana Aguilera, Nana Luo, Rupa Basu, Jun Wu, Alexander Gershunov, Tarik Benmarhnia
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-9hk6q
 
Subject: Chemistry
,
Working Paper
, Title:

The Ion Pair Thermal Model of MALDI MS

, Authors: Shiyue Fang
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-qkd7w
 
Subject: Chemistry
,
Working Paper
, Title:

Process for coating surfaces with a copolymer made from sulfur and dicyclopentadiene

, Authors: Maximilian Mann, Bowen Zhang, Samuel Tonkin, Christopher Gibson, Zhongfan Jia, Tom Hasell, Justin Chalker
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-n91h4
 
Subject: Chemistry
,
Working Paper
, Title:

Colloidal SERS sensors for inflammatory biomarker detection in urine for patient risk stratification

, Authors: Rachel Kidd, William Anderson, Josh Prince, Akosua Agyemang-Prempeh, Peter Roach, Tracey Newman, Sumeet Mahajan
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-bsx14
 
Subject: Chemistry
,
Working Paper
, Title:

An eight-state molecular sequential switch featuring a dual single-bond rotation photoreaction

, Authors: Aaron Gerwien, Benjamin Jehle, Marvin Irmler, Peter Mayer, Henry Dube
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-208vk
 
Subject: Chemistry
,
Working Paper
, Title:

Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitors

, Authors: The COVID Moonshot Consortium, John Chodera, Alpha Lee, Nir London, Frank von Delft
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-585ks-v2
 
Subject: Chemistry
,
Working Paper
, Title:

New Hypercoordinating Organostannanes for the Modular Functionalization of Mono- and Polystannanes: Synthetic and Computational Studies

, Authors: Jeffrey Pau, Jung-Won Choi, Kaitlyn Silverthorne, Mokhamed Ranne, R. Stephen Wylie, Robert Gossage, Alan Lough, Daniel Foucher
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-7gxtw
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the reaction mechanism of Kolbe electrolysis on Pt anodes

, Authors: Sihang Liu, Nitish Govindarajan, Hector Prats, Karen Chan
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-3n07b
 
Subject: Chemistry
,
Working Paper
, Title:

Amyloid Plaque Polymorphism is Associated with Distinct Lipid Accumulations Revealed by Trapped Ion Mobility Mass Spectrometry Imaging (TIMS MSI)

, Authors: Wojciech Michno, Patrick Wehrli, Srinivas Koutarapu, Christian Marsching, Karolina Minta, Junyue Ge, Sven Meyer, Henrik Zetterberg, Kaj Blennow, Corinna Henkel, Janina Oetjen, Carsten Hopf, Jörg Hanrieder
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-w1470
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond conformational control: effects of noncovalent interactions on electronic properties of conjugated polymers

, Authors: Bin Liu, Dario Rocca, He Yan, Ding Pan
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-l3n61-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Unified Total Synthesis of the Brevianamide Alkaloids Enabled by Chemical Investigations into their Biosynthesis.

, Authors: Robert C. Godfrey, Helen E. Jones, Nicholas J. Green, Andrew L. Lawrence
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-mpvpg
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancement of Electrocatalytic Oxygen Evolution by Chiral Molecular Functionalization of Hybrid 2D Electrodes

, Authors: Yunchang Liang, Karla Banjac, Kévin Martin, Nicolas Zigon, Seunghwa Lee, Nicolas Vanthuyne, Felipe Andrés Garcés, José R. Galan-Mascaros, Xile Hu, Narcis Avarvari, Magalí Lingenfelder
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-gmp8j
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Modified System to Provide Improved Diastereocontrol in the Linear-Selective Cu-Catalyzed Reductive Coupling of Ketones and Allenamides

, Authors: Dang Ho, Samantha Gargaro, Raphael Klake, Joshua Sieber
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-g2xbm
 
Subject: Chemistry
,
Working Paper
, Title:

Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory

, Authors: Paul Calio, Don Truhlar, Laura Gagliardi
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-vzp57
 
Subject: Chemistry
,
Working Paper
, Title:

Stability of oxidized states of ceria-supported PtOx particles under a wide range of gas-phase conditions

, Authors: Jon Eunan Quinlivan Domínguez, Konstantin Neyman, Albert Bruix
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-rn4p1
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking computational methods to calculate the octanol/water partition coefficients of a diverse set of organic molecules

, Authors: Alondra López-Colón, Mariela E. Santiago-Mercado, Jonathan I. Aguirre-Santiago, Ariana de Jesús-Hernández, Jenlyan Negrón-Hernández, Luis M. Negrón, Dalvin D. Méndez-Hernández
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-bj24g
 
Subject: Chemistry
,
Working Paper
, Title:

Biophysical and in silico characterization of NrtA: A protein-based host for aqueous nitrate and nitrite recognition

, Authors: Ke Ji, Kiheon Baek, Weicheng Peng, Kevin Alberto, Hedieh Torabifard, Steven Nielsen, Sheel Dodani
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-qxsr4
 
Subject: Chemistry
,
Working Paper
, Title:

Intramolecular, Visible Light-Mediated Aza Paternò-Büchi Reactions of Unactivated Alkenes

, Authors: Corinna Schindler, Dominique Blackmun, Stephen Chamness
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-vrn16
 
Subject: Chemistry
,
Working Paper
, Title:

Cross-Electrophile Coupling of Alcohols with Aryl and Vinyl Halides

, Authors: Benjamin Chi, Jonas Widness, Michael Gilbert, Daniel Salgueiro, Kevin Garcia, Daniel Weix
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.26434/chemrxiv-2021-33jp3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Institutional Sources of Economic Transformation: Energy Policy from the Oil Crises to Climate Change

, Authors: Jared Finnegan, Phillip Lipscy, Jonas Meckling, Florence Metz
Version undefined posted 19 October 2021
Posted
Oct 19, 2021
10.33774/apsa-2021-2f3gx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Cesium immobilization in metakaolin-based geopolymers elucidated by 133Cs solid state NMR spectroscopy

, Authors: Michal Arbel Haddad, Yonatan Harnik, Yaron Schlosser, Amir Goldbourt
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-mq7kn
 
Subject: Chemistry
,
Working Paper
, Title:

Microscopic picture of molecular double doping

, Authors: Thomas Bathe, Chuan-Ding Dong, Stefan Schumacher
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-v9q4z
 
Subject: Chemistry
,
Working Paper
, Title:

Protein corona formation around biocatalytic nanomotors unveiled by STORM

, Authors: Tania Patino, Joaquin Llacer-Wintle, Silvia Pujals, Lorenzo Albertazzi, Samuel Sánchez
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-rhtps
 
Subject: Chemistry
,
Working Paper
, Title:

Pumping Between Phases With a Pulsed-Fuel Molecular Ratchet

, Authors: Dean Thomas, Daniel Tetlow, Yansong Ren, Salma Kassem, Ulvi Karaca, David Leigh
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-fl7tv
 
Subject: Chemistry
,
Working Paper
, Title:

An Electrochemical Ethylamine/Acetonitrile Redox Method for Ambient Hydrogen Storage

, Authors: Dezhen Wu, Jialu Li, Libo Yao, Rongxuan Xie, Zhenmeng Peng
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-p8prg
 
Subject: Chemistry
,
Working Paper
, Title:

Point-of-Need Disposable ELISA System for COVID-19 Serology Testing

, Authors: Cody Carrell, Jeremy Link, Ilhoon Jang, James Terry, Michael Scherman, Zachary Call, Yosita Panraksa, David S. Dandy, Brian J. Geiss, Charles Henry
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-c4bmd-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Trivalent PROTACs enhance protein degradation via combined avidity and cooperativity

, Authors: Satomi Imaide, Kristin M. Riching, Nikolai Makukhin, Vesna Vetma, Claire Whitworth, Scott J. Hughes, Nicole Trainor, Sarah D. Mahan, Nancy Murphy, Angus Cowan, Kwok-Ho Chan, Conner Craigon, Andrea Testa, Chiara Maniaci, Marjeta Urh, Danette L. Daniels, Alessio Ciulli
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-7lbk4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular methods: the 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS) transport assay

, Authors: Alexander Gilchrist, Patrick Wang, Israel Carreira-Barral, Daniel Alonso-Carrillo, Xin Wu, Roberto Quesada, Philip Alan Gale
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-43rq6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Polyclonal aptamer libraries as binding entities on a graphene FET based biosensor for the discrimination of apo- and holo- retinol binding protein 4

, Authors: Ann-Kathrin Kissmann, Jakob Andersson, Heinz Fabian Raber, Markus Krämer, Hu Xing, Dennis Horst Kubiczek, Anil Bozdogan, Patrik Aspermair, Wolfgang Knoll, Frank Rosenau
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-w1gg5
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of a novel class of D-amino acid oxidase (DAO) inhibitors with the Schrödinger computational platform

, Authors: Haifeng Tang, Kristian Jensen, Evelyne Houang, Fiona McRobb, Sathesh Bhat, Mats Svensson, Art Bochevarov, Markus Dahlgren, Jeff Bell, Tyler Day, Leah Frye, Robert Skene, James Lewis, James Osborne, Jason Tierney, James Gordon, Maria Palomero-Vazquez, Caroline Gallati, Robert Chapman, Daniel Jones, Kim Hirst, Mark Sephton, Alka Chauhan, Andrew Sharpe, Piero Tardia, Elsa Dechaux, Andrea Taylor, Ross Waddell, Andrea Valentine, Holden Janssens, Omar Aziz, Dawn Bloomfield, Sandeep Ladha, Ian Fraser, John Ellard
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-dkf1k
 
Subject: Chemistry
,
Working Paper
, Title:

Carbodiphosphorane-Catalyzed Hydroboration of Ketones and Imines

, Authors: Cara Aversa-Fleener, Daniel Chang, Allegra Liberman-Martin
Version undefined posted 20 October 2021
Posted
Oct 20, 2021
10.26434/chemrxiv-2021-zfvc9
 
Subject: Chemistry
,
Working Paper
, Title:

Impacts of Porous Silica-Nanoencapsulated Pesticide Applied to Soil on Plant Growth and Soil Microbial Community

, Authors: Vinicius Bueno, Peiying Wang, Orfeo Harrisson, Stephane Bayen, Subhasis Ghoshal
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-rt454
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative Characterization of Partitioning in Selection of DNA Aptamers for Protein Targets by Capillary Electrophoresis

, Authors: An T. H. Le, Tong Y. Wang, Svetlana M. Krylova, Stanislav S. Beloborodov, Sergey Krylov
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-ptkdf
 
Subject: Chemistry
,
Working Paper
, Title:

Resolving the hydride transfer pathway in oxidative conversion of proline to pyrrole

, Authors: Atanu Acharya, Dongqi Yi, Anna Pavlova, Vinayak Agarwal, James Gumbart
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-zb3wf
 
Subject: Chemistry
,
Working Paper
, Title:

Development and Application of ReaxFF Methodology for Understanding the Chemical Dynamics of Metal Carbonates in Aqueous Solutions

, Authors: Nabankur Dasgupta, Chen Chen, Adri van Duin
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-v2rcx
 
Subject: Chemistry
,
Working Paper
, Title:

Perfluorocycloparaphenylenes: Fully fluorinated carbon nanorings by Ni-mediated one-pot synthesis

, Authors: Kenichiro Itami, Hiroki Shudo, Motonobu Kuwayama, Masafumi Shimasaki, Taishi Nishihara, Youhei Takeda, Takuya Kuwabara, Akiko Yagi, Yasutomo Segawa
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-7kd63
 
Subject: Chemistry
,
Working Paper
, Title:

Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence

, Authors: Lucas Foppa, Christopher Sutton, Luca M. Ghiringhelli, Sandip De, Patricia Löser, Stephan Schunk, Ansgar Schaefer, Matthias Scheffler
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-1dl28
 
Subject: Chemistry
,
Working Paper
, Title:

Role of anionic backbone in NHC-stabilized coinage metal complexes: New precursors for atomic layer deposition

, Authors: Nils Boysen, Anish Philip, Detlef Rogalla, Maarit Karppinen, Anjana Devi
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-0nrm1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

CrabNet for explainable deep learning in materials science: bridging the gap between academia and industry

, Authors: Anthony Wang, Mahamad Salah Mahmoud, Mathias Czasny, Aleksander Gurlo
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-b8ncl
 
Subject: Chemistry
,
Working Paper
, Title:

Wide-field Surface-Enhanced Coherent Anti-Stokes Raman Scattering Microscopy

, Authors: Cheng Zong, Ran Cheng, Fukai Chen, Peng Lin, Meng Zhang, Zhicong Chen, Chen Yang, Ji-Xin Cheng
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-03xf4
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the contest between triplet-triplet exchange and triplet-triplet energy transfer coupling in correlated triplet pair states in singlet fission

, Authors: Vibin Abraham, Nicholas Mayhall
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-5lhjx-v2
 
Subject: Computer Science
,
Working Paper
, Title:

Dense Complete Set For NP

, Authors: Frank Vega
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.33774/coe-2021-m6v73-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering a Cytidine Aminotransferase for Biocatalytic Production of the Antiviral Molnupiravir

, Authors: Ashleigh Burke, William Birmingham, Ying Zhuo, Bruna Zuculoto da Costa, Rebecca Crawshaw, Thomas Thorpe, Ian Rowles, James Finnigan, Simon J. Charnock, Sarah Lovelock, Nicholas Turner, Anthony Green, Carl Young
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-vfkqb-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling the Optical and Catalytic Properties of Artificial Metalloenzyme Photocatalysts Using Chemogenetic Engineering

, Authors: Yasmine S. Zubi, Bingqing Liu, Yifan Gu, Dipankar Sahoo, Jared Lewis
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-dr8n6
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed Decarboxylative Coupling of Redox-Active Esters with Aliphatic Aldehydes

, Authors: Jichao Xiao, Zhenning Li, John Montgomery
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-4vb4w
 
Subject: Chemistry
,
Working Paper
, Title:

Combinatorial Polycation Synthesis and Causal Machine Learning Reveal Divergent Polymer Design Rules for Effective pDNA and Ribonucleoprotein Delivery

, Authors: Ramya Kumar, Ngoc Le, Felipe Oviedo, Mary E. Brown, Theresa M. Reineke
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-cdmpf
 
Subject: Chemistry
,
Working Paper
, Title:

Colorimetric quantification of linking in thermoreversible nanocrystal gel assemblies

, Authors: Jiho Kang, Stephanie Valenzuela, Emily Lin, Manuel Dominguez, Zachary Sherman, Thomas Truskett, Eric Anslyn, Delia Milliron
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-712mq
 
Subject: Chemistry
,
Working Paper
, Title:

Superatomic Au25(SC2H5)18 Nanocluster under Pressure

, Authors: Qing Tang, Fuhua Li, De-en Jiang
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-7r9s4
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Origins of Changing the Product Specificity Properties of Arginine Methyltransferase PRMT7 by E181→D and E181→D/Q329→A Mutations: A QM/MM Study

, Authors: Wan-Sheng Ren, Adua Rahman, Kai-Bin Jiang, Hao Deng, Yuan-Yuan Zhao, Wei-Jie Zhang, Kedian Liu, Ping Qian, Hong Guo
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-85xnl
 
Subject: Chemistry
,
Working Paper
, Title:

Crystal Structure of the Intermediate Na2V2(PO4)3 Phase and Electrochemical Reaction Mechanisms in NaxV2(PO4)3 (1 ≤ x ≤ 4) System

, Authors: Sunkyu Park, Ziliang Wang, Zeyu Deng, Iona Moog, Pieremanuele Canepa, François Fauth, Dany Carlier, Laurence Croguennec, Christian Masquelier, Jean-Noël Chotard
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-q6z1p
 
Subject: Chemistry
,
Working Paper
, Title:

NHCs and Visible Light Co-catalyzed 1,4-Sulfonylacylation of 1,3-Enynes for Tetrasubstituted Allenyl Ketones

, Authors: Lihong Wang, Ruiyang Ma, Jiaqiong Sun, Guangfan Zheng, Qian Zhang
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-5c17l
 
Subject: Chemistry
,
Working Paper
, Title:

On the Utility of Coated POSS-Polyimides for Vehicles in Very Low Earth Orbit (VLEO)

, Authors: Timothy Minton, Thomas Schwartzentruber, Chenbiao Xu
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-x41bm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Flash nanoprecipitation for the production of endosomolytic polymersomes for cytosolic drug delivery

, Authors: Hayden M Pagendarm, Payton T Stone, Jessalyn J Baljon, Mina H Aziz, Lucinda E Pastora, John T Wilson
Version undefined posted 21 October 2021
Posted
Oct 21, 2021
10.26434/chemrxiv-2021-7jfp9
 
Subject: Chemistry
,
Working Paper
, Title:

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding

, Authors: Suzanne Ackloo, Rima Al-awar, Rommie E. Amaro, Cheryl H. Arrowsmith, Hatylas Azevedo, Robert A. Batey, Yoshua Bengio, Ulrich A.K. Betz, Cristian G. Bologa, John D. Chodera, Wendy D. Cornell, Ian Dunham, Gerhard F. Ecker, Kristina Edfeldt, Aled M. Edwards, Michael K. Gilson, Claudia R. Gordijo, Gerhard Hessler, Alexander Hillisch, Anders Hogner, John J. Irwin, Johanna M. Jansen, Daniel Kuhn, Andrew R. Leach, Alpha A. Lee, Uta Lessel, John Moult, Ingo Muegge, Tudor I. Oprea, Benjamin G. Perry, Patrick Riley, Kumar Singh Saikatendu, Vijayaratnam Santhakumar, Matthieu Schapira, Cora Scholten, Matthew H. Todd, Masoud Vedadi, Andrea Volkamer, Timothy M. Willson
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-rzq4n
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning the Electrochemical and Photophysical Properties of Osmium Complexes for Application in Photoredox Catalysis

, Authors: Samantha Goldschmid, Eva Bednarova, Logan Beck, Katherine Xie, Nicholas Tay, Benjamin Ravetz, Jun Li, Candice Joe, Tomislav Rovis
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-jfmqq
 
Subject: Philosophy
,
Working Paper
, Title:

The Evolution in Plato's Forms

, Authors: Thomas Kader
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.33774/coe-2021-j5qlf
 
Subject: Chemistry
,
Working Paper
, Title:

PAM-expanded Streptococcus thermophilus Cas9 C-to-T and C-to-G base editors for programmable base editing in mycobacteria

, Authors: Quanjiang Ji, Hongyuan Zhang, Yifei Zhang, Wei-Xiao Wang, Weizhong Chen, Xia Zhang, Xingxu Huang, Wei Chen
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-nt3ts
 
Subject: Chemistry
,
Working Paper
, Title:

Stretchable and durable inverse vulcanized polymers with chemical and thermal recycling

, Authors: Tom Hasell, Peiyao Yan, Wei Zhao, Samuel Tonkin, Justin Chalker, Tara Schiller
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-h3hwv
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

COP26 Futures We Want – Regional Profile for the Arabian Peninsula

, Authors: Samuel Short, Annalisa Molini, J. Carlos Santamarina, Luiz Friedrich, Emily Shuckburgh
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.33774/coe-2021-29q7b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Atomistic simulations of dopamine diffusion dynamics on a pristine graphene surface

, Authors: Qizhang Jia, Cheng Yang, B. Jill Venton, Kateri H. DuBay
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-2fwxt
 
Subject: Chemistry
,
Working Paper
, Title:

Performance of chemical structure string representations for chemical image recognition using transformers

, Authors: Kohulan Rajan, Christoph Steinbeck, Achim Zielesny
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-7c9wf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Dual-State Emission in Molecular Rotors with Reorientable Benzotriazole Acceptors

, Authors: Lizbeth Rodríguez-Cortés, Federico Hernández, Mario Rodríguez, Rubén Toscano, Arturo Jiménez-Sánchez, Rachel Crespo-Otero, Braulio Rodríguez-Molina
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-6lmr3
 
Subject: Chemistry
,
Working Paper
, Title:

Water-mediated adhesion of oil sands on solid surfaces at low temperature

, Authors: Qimeng Yang, Jae Bem You, Boran Tian, Shaofeng Sun, Dan Daniel, Qi Liu, Xuehua Zhang
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-f1zvq
 
Subject: Chemistry
,
Working Paper
, Title:

Don’t overweight weights: Evaluation of weighting strategies for multi-task bioactivity classification models

, Authors: Lina Humbeck, Tobias Morawietz, Noe Sturm, Adam Zalewski, Simon Harnqvist, Wouter Heyndrickx, Matthew Holmes, Bernd Beck
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-zjxst
 
Subject: Chemistry
,
Working Paper
, Title:

Improved syntheses of halogenated benzene-1,2,3,4-tetracarboxylic diimides

, Authors: Brian Zou, Kellie A. Stellmach, Stella M. Luo, Feven L. Gebresilassie, Cathy K. Zhang, Adam D. Bass, Daron E. Janzen, Dennis D. Cao
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-xcbvc
 
Subject: Chemistry
,
Working Paper
, Title:

Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes

, Authors: Kit McColl, Robert A. House, Gregory J. Rees, Alexander G. Squires, Samuel W. Coles, Peter G. Bruce, Benjamin J. Morgan, M. Saiful Islam
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-bblhc
 
Subject: Chemistry
,
Working Paper
, Title:

Visualizing reaction fronts and transport limitations in solid-state Li-S batteries via operando neutron imaging

, Authors: Robert Bradbury, Georg F. Dewald, Marvin A. Kraft, Tobias Arlt, Nikolay Kardjilov, Jürgen Janek, Ingo Manke, Wolfgang G. Zeier, Saneyuki Ohno
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-vwnpt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating the Role and Interplay of Nickel and Molybdenum Carbide Particles Supported on Zeolite Y in Methane Steam Reforming

, Authors: Xianghui Zhang, Di Wu, Su Ha
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-crb15-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Low scaling excited state calculation using block interaction product state

, Authors: Ke Wang, Haibo Ma
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-pgk3x
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Simulations of Surfactant Adsorption on Iron Oxide from Hydrocarbon Solvents

, Authors: Pablo Navarro Acero, Stephan Mohr, Marco Bernabei, Carlos Fernandez, Beatriz Dominguez, James Ewen
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-rxqz8
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand assisted hydrogenation of levulinic acid on Pt(111) from first principles calculations

, Authors: Lars Gell, Karoliina Honkala
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-q6133
 
Subject: Chemistry
,
Working Paper
, Title:

Oxygen Vacancy Modulated MnO2 Bi-Electrode System for Attomole-Level Pathogen Nucleic Acid Sequence Detection

, Authors: Tanvi Agarkar, Vandana Kuttappan Nair, Sayantan Tripathy, Vipin Chawla, Souradyuti Ghosh, Ashvani Kumar
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-5dcm0
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-organic frameworks as hypergolic additives for hybrid rockets

, Authors: Olivier Jobin, Cristina Mottillo, Hatem M. Titi, Joseph M. Marrett, Mihails Arhangelskis, Robin D. Rogers, Bachar Elzein, Tomislav Friščić, Étienne Robert
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-v6ggv
 
Subject: Chemistry
,
Working Paper
, Title:

Design, Synthesis and Biological Evaluation of P2-modified Proline Analogues Targeting the HtrA Serine Protease in Chlamydia

, Authors: Jimin Hwang, Natalie Strange, Rami Mazraanib, Matthew Philips, Allan Gamble, Wilhelmina Huston, Joel Tyndall
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-3nm6w
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Synthesis of Azido Sugars using Fluorosulfuryl Azide Diazotransfer Reagent

, Authors: Chantelle J. Capicciotti, Joshua M. Kofsky, Gour C. Daskhan, Matthew S. Macauley
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-jdmn0
 
Subject: Chemistry
,
Working Paper
, Title:

Low cost and open source purification apparatus for GMP [13N]ammonia production

, Authors: Farah Kamar, Michael S. Kovacs, Justin W. Hicks
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-wmmbt
 
Subject: Chemistry
,
Working Paper
, Title:

Aluminum Foil Anodes for Li-ion Rechargeable Batteries: The Role of Li Solubility within β-LiAl

, Authors: Tianye Zheng, Dominik Kramer, Reiner Mönig, Steven Boles
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-rbw7j
 
Subject: Chemistry
,
Working Paper
, Title:

Liquid water simulation using hydrogen bond corrected SCAN and neural network potentials.

, Authors: Timothy Duignan
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-7jxpq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Study of Ruthenium-Contamination Effect on Oxygen Reduction Activity of Platinum-based PEMFC and DMFC Cathode Catalyst

, Authors: Dima Kaplan, Polina Tereshchuk, Chen Olewsky, Liz Keinan, Ohad Ben Yehuda, Meital Shviro, Amir Natan, Emanuel Peled
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-qslj3
 
Subject: Chemistry
,
Working Paper
, Title:

Anion binding to a cationic europium(III) probe enables the first real-time assay of heparan sulfotransferase activity

, Authors: Simon Wheeler, Stephen Butler, David Fernig, Yong Li, Sarah Hewitt, Colum Breen, Erin Robertson
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.26434/chemrxiv-2021-4ftrg
 
Subject: Politics and International Relations
,
Working Paper
, Title:

2020-2021 APSA eJobs Report: the Political Science Job Market

, Authors: Erin McGrath, Ana Diaz
Version undefined posted 22 October 2021
Posted
Oct 22, 2021
10.33774/apsa-2021-xmm74
 
Subject: Chemistry
,
Working Paper
, Title:

Silylium ion Migration Dominated Hydroamidation of Siloxy-alkynes

, Authors: Hengding Wang, Ling Jiang, Hongjun Fan
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-fvf7z
 
Subject: Chemistry
,
Working Paper
, Title:

Combining Generative Adversarial Network and First-Principles Based Microkinetics for Heterogeneous Catalyst Design

, Authors: Atsushi Ishikawa
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-jth2r
 
Subject: Chemistry
,
Working Paper
, Title:

The Effect of Zero-Point Energy in Simulating Organic Reactions with Post-Transition State Bifurcation

, Authors: Matthew Tremblay, Zhongyue John Yang
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-2x2tt
 
Subject: Chemistry
,
Working Paper
, Title:

Enantiomer stability of atropisomeric 1,5-disubstituted 1,2,3-triazoles

, Authors: Fernanda Meloni, William Brittain, Louise Male, Cécile Le Duff, Benjamin Buckley, Andrew Leach, John Fossey
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-znd87
 
Subject: Chemistry
,
Working Paper
, Title:

A Reliable and Sustainable Multicomponent Access to Protein Degraders

, Authors: Irene Preet Bhela, Alice Ranza, Marta Serafini, Tracey PIRALI
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-440t2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Potential–dependent Thiele Modulus to Quantify the Effectiveness of Porous Electrocatalysts

, Authors: Charles Wan, Katharine Greco, Amira Alazmi, Robert Darling, Yet- Ming Chiang, Fikile Brushett
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-cwqm0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Stable and Reversible Functionalization and Super-Resolution Microscopy of Live Cell Membranes

, Authors: Ahad Hossain, Joydeb Majumder, Cheng Bi, Fang Huang, Gaurav Chopra
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-jhv3b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Small but effective: potent light-weight additives modulate prenucleation clusters by specific interactions on the molecular level

, Authors: Patrick Duchstein, Philipp I. Schodder, Simon Leupold, Thi Quynh Nhi Dao, Shifi Kababya, Maria R. Cicconi, Dominique de Ligny, Vitaliy Pipich, David Eike, Asher Schmidt, Dirk Zahn, Stephan E. Wolf
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-fvvwb-v3
 
Subject: Chemistry
,
Working Paper
, Title:

In silico all-atom approach to thermodiffusion in dilute aqueous solutions

, Authors: Alejandro Diaz-Marquez, Guillaume STIRNEMANN
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-bht06-v2
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Cambridge Zero Policy Forum Discussion Paper: Carbon Offsetting and Nature-based Solutions to Climate Change

, Authors: Nick Scott, Shaun Fitzgerald, Srinivasan Keshav
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.33774/coe-2021-gwq9w
 
Subject: Chemistry
,
Working Paper
, Title:

Construction of vicinal 4°/3°-carbons via reductive Cope rearrangement

, Authors: Kristin Sobie, Matthew Albritton, Yinuo Yang, Mariana Alves, Adrian Roitberg, Alexander Grenning
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-rff1d
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Synthesis and Functionalization of 3-Bromo Naphtho[2,3b]thiophene

, Authors: Emily Burke, Erin Welsh, Katherine Robertson, Alexander Speed
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-03nzq
 
Subject: Chemistry
,
Working Paper
, Title:

Guest-induced misfolding of a crown-ether-functionalized ortho-phenylene

, Authors: Sumalatha Peddi, Molly C. Bookout, Gopi Nath Vemuri, C. Scott Hartley
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-r4dlq
 
Subject: Chemistry
,
Working Paper
, Title:

Mapping Ambiphile Reactivity Trends in the Anti-(Hetero)annulation of Non-Conjugated Alkenes via Pd(II)/Pd(IV) Catalysis

, Authors: Hui-Qi Ni, Phillippa Cooper, Shouliang Yang, Fen Wang, Neal Sach, Pranali Bedekar, Joyann Donaldson, Michelle Tran-Dubé, Indrawan McAlpine, Keary Engle
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-fzjx8
 
Subject: Chemistry
,
Working Paper
, Title:

Phosphonic acid appended naphthalenediimide molecular receptor for saccharides and aminoglycoside antibiotics recognition

, Authors: Kamalakar P. Nandre, Sidhanath Vishwanath Bhosale
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-6cx69
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of novel orexin receptor antagonists using a 1,3,5-trioxazatriquinans bearing multiple effective residues (TriMER) library

, Authors: Tsuyoshi Saitoh, Mao Amezawa, Jumpei Horiuchi, Yasuyuki Nagumo, Naoshi Yamamoto, Noriki Kutsumura, Ryuichiro Oshita, Akihisa Tokuda, Yoko Irukayama-Tomobe, Yasuhiro Ogawa, Yukiko Ishikawa, Emi Hasegawa, Takeshi Sakurai, Yasuo Uchida, Tetsu Sato, Hiroaki Gouda, Ryuji Tanimura, Masashi Yanagisawa, Hiroshi Nagase
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-08md1
 
Subject: Chemistry
,
Working Paper
, Title:

The modelling of multi-resonant thermally activated delayed fluorescence emitters – properly accounting for electron correlation is key!

, Authors: David Hall, Juan Carlos Sancho, Anton Pershin, David Beljonne, Eli Zysman-Colman, Yoann Olivier
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-496gn
 
Subject: Chemistry
,
Working Paper
, Title:

Regularized Second Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Compute Cost

, Authors: James Shee, Matthias Loipersberger, Adam Rettig, Joonho Lee, Martin Head-Gordon
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-4gqbq
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical Nucleophilic Substitution of Alcohols via Isouronium Intermediates

, Authors: Tatsiana Dalidovich, Jagadeesh Varma Nallaparaju, Tatsiana Shalima, Riina Aav, Dzmitry G. Kananovich
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-kgcx5
 
Subject: Chemistry
,
Working Paper
, Title:

Polymorphism of Garnet Solid Electrolytes and Its Implications on Grain Level Chemo-Mechanics

, Authors: Marm Dixit, Bairav Vishugopi, Wahid Zaman, Peter Kenesei, Jun-Sang Park, Jon Almer, Partha Mukherjee, Kelsey Hatzell
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-516z8
 
Subject: Chemistry
,
Working Paper
, Title:

Microporous covalent organic frameworks for sulfur hexafluoride capture and separation

, Authors: Qiaobo Liao, Haocheng Xu, Can Ke, Yiying Zhang, Qingwen Han, Yifan Zhang, Yang Xu, Kai Xi
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-krrm4
 
Subject: Politics and International Relations
,
Working Paper
, Title:

California Wildfire Exposure, Vulnerability, and Mental Health: Who gets to recover and who does not?

, Authors: Muhammad Hassan Bin Afzal
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.33774/apsa-2021-c5jdz
 
Subject: Chemistry
,
Working Paper
, Title:

Principal Component Analysis (PCA) and Statistical Tests Using Factoshiny and R Commander.

, Authors: Endler Marcel Borges, Matheus Fernandes Filgueiras
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.26434/chemrxiv-2021-wt2ck
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Measuring Minority Integration: Conceptualization and Operationalization Issues

, Authors: Agnes Katalin Koos, Kenneth Keulman
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.33774/apsa-2021-kvr07
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Advantage of Incumbents in Coalitional Bargaining

, Authors: Jaakko Meriläinen, Janne Tukiainen
Version undefined posted 25 October 2021
Posted
Oct 25, 2021
10.33774/apsa-2021-thcl2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An [FeIII30] molecular metal oxide

, Authors: Euan Brechin, Alice Dearle, Daniel Cutler, Marco Coletta, Edward Lee, Sourav Dey, Sergio Sanz, Hector Fraser, Gary Nichol, Gopalan Rajaraman, Juergen Schnack, Lee Cronin
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-4l0cv
 
Subject: Chemistry
,
Working Paper
, Title:

Sustainable polyesters via direct functionalization of lignocellulosic sugars

, Authors: Lorenz Manker, Graham Dick, Adrien Demongeot, Maxime Hédou, Christèle Rayroud, Thibault Rambert, Marie Jones, Irina Sulaeva, Yves Leterrier, Antje Potthast, Francois Maréchal, Véronique Michaud, Harm-Anton Klok, Jeremy Luterbacher
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-9xwlh
 
Subject: Chemistry
,
Working Paper
, Title:

Acetate Facilitated Nickel Catalyzed Coupling of Aryl Chlorides and Alkyl Thiols

, Authors: Regina M. Oechsner, J. Philipp Wagner, Ivana Fleischer
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-tgvjk
 
Subject: Chemistry
,
Working Paper
, Title:

Ultra-high sensitivity measurement of DNA sequences with conducting polymer-modified electrodes: mechanism, large-scale manufacture, and prospects for rapid polymerase chain reaction measurement (e-PCR)

, Authors: Bicheng Zhu, Thomas Kerr-Philips, Zahraa Al-Ghaus, Eddie Chan, David Barker, Clive Evans, Jadranka Travas-Sejdic, David Williams
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-hnpk3
 
Subject: Chemistry
,
Working Paper
, Title:

Antiplasmodial diterpenoid alkaloid from Aconitum heterophyllum: Isolation, characterization, and UHPLC-DAD based quantification

, Authors: Anmol -, Surekha Kumari, Rakesh Kumar, Raman Singh, Gaurav Aggarwal, Prakhar Agrawal, Dinkar Sahal, Upendra Sharma
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-b2smg
 
Subject: Economics
,
Working Paper
, Title:

In American Cities, A Tale of Tree Inequity: Causes, Consequences, and Solutions

, Authors: Patrick Kabanda
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.33774/coe-2021-1n37m
 
Subject: Chemistry
,
Working Paper
, Title:

Exponential Amplification by Redox Cross-Catalysis and Unmasking of Doubly Protected Molecular Probes

, Authors: Justine Pallu, Charlie Rabin, Pan Hui, Thamires Moreira, Corentin Calvet, Benoît LIMOGES, François Mavré, Mathieu Branca
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-182xm
 
Subject: Chemistry
,
Working Paper
, Title:

Highly efficient water oxidation via a bimolecular reaction mechanism on rutile structured mixed-metal oxyfluorides

, Authors: Zahra Gohari-Bajestani, Xiao Wang, Amandine Guiet, Romain Moury, Jean-Marc Grenèche, Annie Hémon-Ribaud, Yuxuan Zhang, Daniel Chartrand, Vincent Maisonneuve, Ali Seifitokaldani, Nikolay Kornienko, Jérôme Lhoste
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-8w57d
 
Subject: Chemistry
,
Working Paper
, Title:

Flipping the switch: reverse-demand voltage-sensitive fluorophores

, Authors: Jack McCann, Brittany Benlian, Isaac Knudson, Evan Miller
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-w6h5m
 
Subject: Chemistry
,
Working Paper
, Title:

A response surface model to predict and experimentally tune the chemical, magnetic and optoelectronic properties of oxygen-doped boron nitride

, Authors: Ravi Shankar, Elan Mistry, Daphne Lubert-Perquel, Irena Nevjestic, Sandrine Heutz, Camille Petit
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-zbgbj
 
Subject: Chemistry
,
Working Paper
, Title:

Synergistic Experimental and Computational Investigation of the Bioorthogonal Reactivity of Substituted Aryltetrazines

, Authors: Umberto Battisti, Rocío García-Vázquez, Dennis Svatunek, Barbara Herrmann, Andreas Löffler, Hannes Mikula, Matthias Herth
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-2kn3l
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid quantification of Psilocybin with reversed-phase HPLC and single-wavelength detection

, Authors: Alexzander Samuelsson, Eric Janusson, Sajni Shah, Markus Roggen
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-70mm1
 
Subject: Chemistry
,
Working Paper
, Title:

Illuminating mechanochemical reactions by combining real-time fluorescence emission monitoring and periodic time-dependent density-functional calculations

, Authors: Patrick A. Julien, Mihails Arhangelskis, Luzia S. Germann, Martin Etter, Robert E. Dinnebier, Andrew J. Morris, Tomislav Friscic
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-lw8sm
 
Subject: Chemistry
,
Working Paper
, Title:

Crystal-chemical and biological controls of trace and minor element incorporation into magnetite nanocrystals

, Authors: Matthieu Amor, Damien Faivre, Daniel M. Chevrier
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-j7qj2
 
Subject: Chemistry
,
Working Paper
, Title:

First-principles interpretation of electron transport though single-molecule junctions using molecular dynamics of electron attached states

, Authors: Dávid P. Jelenfi, Attila Tajti, Péter G. Szalay
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-ffx9c
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of the chemical context for Buchwald-Hartwig coupling reactions

, Authors: Samuel Genheden, Agnes Mårdh, Gustav Lahti, Ola Engkvist, Simon Olsson, Thierry Kogej
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-87hqt
 
Subject: Chemistry
,
Working Paper
, Title:

Recommendation System to Predict Missing Adsorption Properties of Nanoporous Materials

, Authors: Arni Sturluson, Ali Raza, Grant D. McConachie, Daniel Siderius, Xiaoli Fern, Cory Simon
Version undefined posted 26 October 2021
Posted
Oct 26, 2021
10.26434/chemrxiv-2021-lfljk-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Probing Chirality across the Electromagnetic Spectrum with the Full Semi-classical Light--Matter Interaction

, Authors: Martin van Horn, Trond Saue, Nanna List
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-j1hcz-v2
 
Subject: Chemistry
,
Working Paper
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Developing simple boranes as phase transfer catalysts for nucleophilic fluorination using CsF

, Authors: Sven Kirschner, Matthew Peters, Kang Yuan, Marina Uzelac, Michael Ingleson
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-ftrfx
 
Subject: Chemistry
,
Working Paper
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DiSCoVeR: a Materials Discovery Screening Tool for High Performance, Unique Chemical Compositions

, Authors: Sterling Baird, Tran Diep, Taylor Sparks
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-5l2f8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and anticancer evaluation of 4’-thio and 4’-sulfinyl pyrimidine nucleoside analogues

, Authors: Mieke Guinan, Ningwu Huang, Chris Hawes, Marcelo Lima, Gavin Miller, Mark Smith
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-2z569
 
Subject: Chemistry
,
Working Paper
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Exploring Polycrystalline Materials: High-throughput Phase Elucidation Using Serial Rotation Electron Diffraction

, Authors: Yi Luo, Bin Wang, Stef Smeets, Junliang Sun, Weimin Yang, Xiaodong Zou
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-34v44
 
Subject: Chemistry
,
Working Paper
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Conversion of carboxylic acids to potassium acyltrifluoroborates (KATs) by Cu-catalyzed borylation of mixed anhydrides

, Authors: Pinku Tung, Anne Schuhmacher, Philipp Schilling, Jeffrey Bode, Neal Mankad
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-jt414
 
Subject: Chemistry
,
Working Paper
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Elucidating Effects of Orbital Delocalization on Electrochemiluminescent Efficiency for Carbon Nitrides

, Authors: Yanfeng Fang, Yuhua Hou, Hong Yang, Wang Li, Jin Ma, Dan Han, Xuwen Cao, Songqin Liu, Yanfei Shen, Yuanjian Zhang
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-dnlsm
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancement of photoacoustic spectroscopy with sorption enrichment for ppt-level benzene detection

, Authors: Juho Karhu, Tuomas Hieta
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-81d73
 
Subject: Chemistry
,
Working Paper
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Dimethoxytriazine-Triazole Linked Mesoporous Silica Hybrid Sorbent for Cationic Dyes Adsorption

, Authors: Ali Saad, Khouloud Jlassi, Manef Abderrabba, Mohamed CHEHIMI
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-px470
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamic Modeling of CO2 Separation Systems with Soluble, Redox-Active Capture Species

, Authors: Lauren E. Clarke, McLain E. Leonard, T. Alan Hatton, Fikile R. Brushett
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-2dqk6
 
Subject: Chemistry
,
Working Paper
, Title:

Origin of the high specific capacity in sodium manganese hexacyanomanganate

, Authors: Kevin Hurlbutt, Feliciano Giustino, George Volonakis, Mauro Pasta
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-70pvw
 
Subject: Chemistry
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Working Paper
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Active Meta-Learning for Predicting and Selecting Perovskite Crystallization Experiments

, Authors: Venkateswaran Shekar, Gareth Nicholas, Mansoor Ani Najeeb, Margaret Zeile, Vincent Yu, Xiaorong Wang, Dylan Slack, Zhi Li, Philip Nega, Emory Chan, Alexander Norquist, Joshua Schrier, Sorelle Friedler
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-tfdmc
 
Subject: Chemistry
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Working Paper
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Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction

, Authors: Elwy Abdelkader, Haocheng Qianzhu, Josemon George, Rebecca Frkic, Colin Jackson, Christoph Nitsche, Gottfried Otting, Thomas Huber
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-r5dn6
 
Subject: Chemistry
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Working Paper
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Metal-catalyzed organic reactions by Resonant Acoustic Mixing

, Authors: Lori Gonnet, Cameron Lennox, Jean-Louis Do, Ivani Malvestiti, Stefan Koenig, Karthik Nagapudi, Tomislav Friscic
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.26434/chemrxiv-2021-gj7tq
 
Subject: Earth and Environmental Sciences
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Cover Note: Communicating Climate Risk Toolkit

, Authors: Jo Lindsay Walton, Polina Levontin
Version undefined posted 27 October 2021
Posted
Oct 27, 2021
10.33774/coe-2021-76fkt-v2
 
Subject: Chemistry
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Working Paper
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Carbene-metal complexes as molecular scaffolds for construction of through-space TADF emitters

, Authors: Armands Ruduss, Baiba Turovska, Sergey Belyakov, Kitija Stucere, Aivars Vembris, Kaspars Traskovskis
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-f5m4p
 
Subject: Chemistry
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Working Paper
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Perplexity-based molecule ranking and bias estimation of chemical language models

, Authors: Michael Moret, Francesca Grisoni, Paul Katzberger, Gisbert Schneider
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-zv6f1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Expedient Synthesis of Bis(imidazolium) Dichloride Salts and Bis(NHC) Complexes from Imidazoles using DMSO as a Key Polar Additive

, Authors: Kyle Penn, Evan Anders, Vincent Lindsay
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-4h434
 
Subject: Chemistry
,
Working Paper
, Title:

Water Capture Mechanisms at Zeolitic Imidazolate Framework Interfaces

, Authors: Jackson Wagner, Kelly Hunter, Francesco Paesani, Wei Xiong
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-msrmr-v3
 
Subject: Chemistry
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Working Paper
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Boronic ester derivative-dependent activity of parthenolide analogues

, Authors: Xingjian Li, George Williams, Alex Quy, Yiming Zhao, Louise Male, Eric Anslyn, Tatjana Stankovic, Andrew Leach, Angelo Agathanggelou, John Fossey
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-hzfk2-v2
 
Subject: Earth and Environmental Sciences
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Working Paper
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COP 26 Futures We Want - India Country Profile

, Authors: Ramit Debnath, Ambuj Sagar, Suresh Babu, Emily Shuckburgh
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.33774/coe-2021-ns37b-v2
 
Subject: Earth and Environmental Sciences
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Working Paper
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COP26 Futures We Want - UK Country Profile

, Authors: Ethan Aines, Zeynep Clulow, Alasdair Neilson, Emily Shuckburgh, Steve Evans
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.33774/coe-2021-hq3c7-v2
 
Subject: Earth and Environmental Sciences
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Working Paper
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COP26 Futures We Want - Jamaica Country Profile

, Authors: Sarah Luke, Michael Taylor, David Smith, Rajne Reynolds, Emily Shuckburgh
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.33774/coe-2021-q8s0k-v2
 
Subject: Mathematics
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Working Paper
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ZIP Code Versus Georeference

, Authors: Jorge L. Bazan, Thaicia S. de Almeida, Mauricio M. Ferreira, Daniel C. F. Guzman, Francisco Louzada, Milton Miranda, Alex L. Mota, Socorro Rangel, Cibele M. Russo, Lucas A. Santos, Franklina Toledo, Maristela O. Santos, José Alberto Cuminato
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.33774/miir-2021-4lgsp-v3
 
Subject: Psychology
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Working Paper
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A new method of exploring the unconscious: results of an interdisciplinary study

, Authors: Oksana Kabachek
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.33774/coe-2021-hpm7b
 
Subject: Chemistry
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Working Paper
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Conduction Band Engineering of Half-Heusler Thermoelectrics Using Orbital Chemistry

, Authors: Shuping Guo, Shashwat Anand, Madison K. Brod, Yongsheng Zhang, G. Jeffrey Snyder
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-vj65l
 
Subject: Chemistry
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Working Paper
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Extended Mechanism and Rate-Limiting Step of the Plasminogen Activator Staphylokinase Revealed by Global Kinetic Analysis

, Authors: Martin Toul, Dmitri Nikitin, Martin Marek, Jiri Damborsky, Zbynek Prokop
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-x5qdj
 
Subject: Chemistry
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Working Paper
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Frustrated Lewis Pair Stabilized Phosphoryl Nitride (NPO), a Mono Phosphorus Analogue of Nitrous Oxide (N2O)

, Authors: André Eckhardt, Martin-Louis Riu, Peter Müller, Christopher Cummins
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-xz4qh
 
Subject: Chemistry
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Working Paper
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Synthesis of the Macrolactone Cores of Maltepolides via a Diene–Ene Ring-Closing Metathesis Strategy

, Authors: Man Ki Sit, Hui Hui Cao, Yan-Dong Wu, Tsz Chun Yip, Lars Eric Bendel, Wen Zhang, Wei-Min Dai
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-1bk8t
 
Subject: Chemistry
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Working Paper
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Precise manipulation of electron transfers in clustered five redox sites

, Authors: Hitoshi Izu, Mio Kondo, Masaya Okamura, Misa Tomoda, Sze Koon Lee, Takuya Akai, Vijayendran Praneeth, Mari Kanaike, Satoshi Kawata, Shigeyuki Masaoka
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-n3jtl
 
Subject: Chemistry
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Working Paper
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Towards automation of operando experiments: A case study in contactless conductivity measurements

, Authors: Peter Kraus, Elisabeth Wolf, Charlotte Prinz, Giulia Bellini, Annette Trunschke, Robert Schlögl
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-mh17g
 
Subject: Chemistry
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Working Paper
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Crystal Phase Mediated Restructuring of Pt on TiO2 with Tunable Re-activity: Redispersion versus Reshaping

, Authors: Xiaoben Zhang, Zhimin Li, Wei Pei, Gao Li, Wei Liu, Pengfei Du, Zhen Wang, Zhaoxian Qin, Si Zhou, Jijun Zhao, Bing Yang, Wenjie Shen
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.26434/chemrxiv-2021-cq50f
 
Subject: Mathematics
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Working Paper
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Trans-National Equitable Strategies of Vaccine Distribution during the COVID-19 Pandemic

, Authors: Dario Domingo, Stanislaw Biber, Gabriele Dian, Patrick Dorey, Kays Haddad, Paul Heslop, Ingrid Holm, Yie Liu, Raymond Pang
Version undefined posted 28 October 2021
Posted
Oct 28, 2021
10.33774/miir-2021-vbgmz-v2
 
Subject: Chemistry
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Working Paper
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Simultaneous enhancement of thermally activated delayed fluorescence and photoluminescence quantum yield via homoconjugation

, Authors: Stephanie Montanaro, Piotr Pander, Mark Elsegood, Simon Teat, Andrew Bond, Iain Wright, Daniel Congrave, Marc Etherington
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-p3h9s-v2
 
Subject: Chemistry
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Working Paper
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Active site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model

, Authors: Jannis Born, Tien Huynh, Astrid Stroobants, Wendy Cornell, Matteo Manica
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-np7xj-v4
 
Subject: Chemistry
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Working Paper
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The Orbital Origins of Chemical Bonding in Phase-Change Materials

, Authors: Jan Hempelmann, Peter C. Müller, Christina Ertural, Richard Dronskowski
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-6x89w
 
Subject: Chemistry
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Working Paper
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Nonadiabatic Dynamics Algorithms with Only Potential Energies and Gradients: Curvature-Driven Coherent Switching with Decay of Mixing and Curvature-Driven Trajectory Surface Hopping

, Authors: Yinan Shu, Linyao Zhang, Shaozeng Sun, Yudong Huang, Donald Truhlar, Xiye Chen
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-8w6fx
 
Subject: Earth and Environmental Sciences
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Working Paper
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Key messages from the IPCC AR6 climate science report

, Authors: Alison Ming, Isobel Rowell, Sam Lewin, Robert Rouse, Thomas Aubry, Emma Boland
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.33774/coe-2021-fj53b
 
Subject: Chemistry
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Working Paper
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Sulfur and azobenzenes, a profitable liaison: straightforward synthesis of photoswitchable thioglycosides with tunable properties

, Authors: Jonathan Berry, Thisbe Lindhorst, Guillaume Despras
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-mljwx-v2
 
Subject: Chemistry
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Working Paper
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Surface modification of carbon dots with tetraalkylammonium moieties for fine tuning their antibacterial activity

, Authors: Elizaveta Sviridova, Alexandre Barras, Evgenii Plotnikov, Antonio Di Martino, Dominique Deresmes, Ksenia Nikiforova, Marina Trusova, Sabine Szunerits, Olga Guselnikova, Pavel Postnikov, Rabah Boukherroub
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-012c7
 
Subject: Chemistry
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Working Paper
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Orbital-Dependent Photodynamics of Strongly Correlated Clusters

, Authors: Jacob Garcia, Scott Sayres
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-3c1hs
 
Subject: Chemistry
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Working Paper
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Communication: Effect of Oxidation on Excited State Dynamics of Neutral TinO2n-x (n<10, x<4) Clusters

, Authors: Jacob Garcia, Lauren Heald, Ryan Shaffer, Scott Sayres
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-h6zj9
 
Subject: Chemistry
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Working Paper
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Broadening the scope of uranyl photoreactivity: The oxidation of a uranyl complex anion in solid-state materials

, Authors: Jordan A. Herder, Aaron D. Nicholas, Christopher L. Cahill
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-4jrd8
 
Subject: Chemistry
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Working Paper
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Metalation/De-metalation as a Post-Gelation Strategy to Tune the Mechanical Properties of Catenane-Crosslinked Gels

, Authors: Mark A. Nosiglia, Nathan D. Colley, Mark S. Palmquist, Abigail O. Delawder, Sheila L. Tran, Gray H. Harlan, Jonathan C. Barnes
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-7hj2k
 
Subject: Chemistry
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Working Paper
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Machine Learning of Reaction Properties via Learned Representations of the Condensed Graph of Reaction

, Authors: Esther Heid, William H. Green
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-frfhz-v2
 
Subject: Chemistry
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Working Paper
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Near-infrared-active upconverting niobium-doped black titanium dioxide photocatalysts

, Authors: Collins Nganou, Andrew Carrier, Ali Shafiee, Naizhen Yu, Ken Oakes, Xu Zhang
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-gx5k9
 
Subject: Chemistry
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Working Paper
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Ionic Screening in Bulk and under Confinement

, Authors: Johannes Zeman, Svyatoslav Kondrat, Christian Holm
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-dkwcm
 
Subject: Chemistry
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Working Paper
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Universal promotion of heterogeneous olefin metathesis catalysts by controlling dynamic active site renewal

, Authors: Terry Z. H. Gani, Zachariah J. Berkson, Ran Zhu, Jong Hun Kang, John R. Di Iorio, Ka Wing Chan, Daniel F. Consoli, Sohel K. Shaikh, Christophe Copéret, Yuriy Román-Leshkov
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-140tk
 
Subject: Chemistry
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Working Paper
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Untethering sparteine: 1,3-diamine ligand for asymmetric synthesis in water

, Authors: Fanyun Zeng, Chen Chen, Liu Liu, Yifan Li, Bo Li, Guotao Lin, Shihao Huang, Mingyu Zhang, Yuting Yan, Yuan Zhang, Yanfeng Dang, Jianhui Huang
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-tlgj2-v3
 
Subject: Literature
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Working Paper
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Wellbeing and Worldbuilding: The Science Fiction of Wellbeing Measurement

, Authors: Jo Walton
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.33774/coe-2021-4nn1l
 
Subject: Chemistry
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Working Paper
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Competitive Gold/Nickel Transmetalation

, Authors: Mitchell Demchuk, Joseph Zurakowski, Brady Austen, David Nelson, Marcus Drover
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-kszpg
 
Subject: Chemistry
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Working Paper
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PdO self-assembly on zeolite SSZ-13 with rows of O3Al(IV)OH selectively incorporated in PdO(101) facets for moisture-resistant methane oxidation

, Authors: Libor Kovarik, Nicholas Jaegers, Janos Szanyi, Miroslaw Derewinski, Yong Wang, Konstantin Khivantsev
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-qrd13
 
Subject: Chemistry
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Working Paper
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CO Reductive Oligomerization by a Divalent Thulium Complex and CO2-Induced Functionalization

, Authors: Thomas Simler, Karl N. McCabe, Laurent Maron, Gregory Nocton
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-vsjxz
 
Subject: Chemistry
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Working Paper
, Title:

Molecular understanding of GPR120 agonist binding using homology modeling and molecular dynamics

, Authors: suyash pant, V Ravichandiran
Version undefined posted 29 October 2021
Posted
Oct 29, 2021
10.26434/chemrxiv-2021-s23lv
 
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