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Subject: Chemistry
,
Working Paper
, Title:

Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectories

, Authors: Francesco Talotta, David Lauvergnat, Federica Agostini
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-ccr9b
 
Subject: Chemistry
,
Review
, Title:

Mechanically Enhanced Proline Ring-Opening in Proteins

, Authors: Jan Hoh
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-jqbf0
 
Subject: Chemistry
,
Review
, Title:

(Bio)degradable and Biocompatible Nano-Objects from Polymerization-Induced and Crystallization-Driven Self-Assembly

, Authors: Chen Zhu, Julien Nicolas
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-mv0j1
 
Subject: Chemistry
,
Working Paper
, Title:

RanDepict - Random Chemical Structure Depiction Generator

, Authors: Henning Otto Brinkhaus, Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-t1kbb
 
Subject: Chemistry
,
Working Paper
, Title:

Carbodefluorination via a carbene-initiated rearrangement strategy

, Authors: Linxuan Li, Xinyu Zhang, Yongquan Ning, Xiaolong Zhang, Binbin Liu, Zhansong Zhang, Paramasivam Sivaguru, Giuseppe Zanoni, Shuang Li, Edward A. Anderson, Xihe Bi
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-h5v60
 
Subject: Chemistry
,
Working Paper
, Title:

All-fluorescence white organic light-emitting diodes with record-beating power efficiencies over 130 lm W‒1 and small roll-offs

, Authors: Hao Liu, Yan Fu, Ben Zhong Tang, Zujin Zhao
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-b07x9
 
Subject: Chemistry
,
Working Paper
, Title:

An All-Organic Photochemical Magnetic Switch with Bistable Spin States

, Authors: Konstantin Günther, Niklas Grabicki, Beatrice Battistella, Lutz Grubert, Oliver Dumele
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-bh283
 
Subject: Chemistry
,
Working Paper
, Title:

Membrane Catalysed Formation of Nucleotide Clusters and Its Role in the Origins of Life

, Authors: Rajlaxmi Saha, Prathyush Poduval, Krishnakanth Baratam, Jayashree Nagesh, Anand Srivastava
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-x935v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Selective cellular probes for mammalian thioredoxin reductase TrxR1: rational design of RX1, a modular 1,2-thiaselenane redox probe

, Authors: Lukas Zeisel, Jan G. Felber, Lena Poczka, Karoline Scholzen, Dorian Cheff, Martin S. Maier, Qing Cheng, Min Shen, Matt D. Hall, Elias S. J. Arnér, Julia Thorn-Seshold, Oliver Thorn-Seshold
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2021-52kwx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learned calibrations to high-throughput molecular excited state calculations

, Authors: Shomik Verma, Miguel Rivera, David O. Scanlon, Aron Walsh
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-08jm9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Spectroscopic characterization of rare events in colloidal particle stochastic thermodynamics

, Authors: René Nome, Sandro Otani, Thalyta Martins, Sérgio Muniz, Paulo Cesar de Sousa Filho, Fernando Sigoli
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-wc2gr
 
Subject: Chemistry
,
Working Paper
, Title:

Design and Synthesis of a Zeolitic Organic Framework

, Authors: Qianrong Fang, Yaozu Liu, Pohua Chen, Yujie Wang, Jinquan Suo, Jiehua Ding, Liangkui Zhu, Valentin Valtchev, Yushan Yan, Shilun Qiu, Junliang Sun
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-h3217
 
Subject: Chemistry
,
Working Paper
, Title:

Hidden Heterometallic Interaction Emerges from Resonant Inelastic X-ray Scattering in Luminescent Tb–Pt Molecules

, Authors: Takefumi Yoshida, Ahmed Shabana, David Chukwuma Izuogu, Kentaro Fuku, Tetsu Sato, Haitao Zhang, Yukina Yamamoto, Jun Kamata, Hitomi Ohmagari, Miki Hasegawa, Goulven Cosquer, Shinya Takaishi, Takuma Kaneko, Tomoya Uruga, Yasuhiro Iwasawa, Masahiro Yamashita
Version undefined posted 01 March 2022
Posted
Mar 01, 2022
10.26434/chemrxiv-2022-mqppg
 
Subject: Chemistry
,
Working Paper
, Title:

Resonance between dithiocarbamates and thioureide mesomeres coupled to metal−hydrogen anagostic bond transforming under pressure

, Authors: Szymon Sobczak, Kinga Roszak, Andrzej Katrusiak
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-h0rrx
 
Subject: Chemistry
,
Review
, Title:

Fluorine in Medicinal Chemistry: In Perspective to COVID-19

, Authors: CHENG ZHANG
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-942d0
 
Subject: Chemistry
,
Working Paper
, Title:

The Molecular and Electronic Structure of Isolated Platinum Sites Enabled by Expedient Measurement of 195Pt Chemical Shift Anisotropy

, Authors: Amrit Venkatesh, Domenico Gioffrè, Benjamin Atterberry, Lukas Rochlitz, Scott Carnahan, Zhuoran Wang, Georges Menzildjian, Anne Lesage, Christophe Coperét, Aaron Rossini
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-j2f5h
 
Subject: Chemistry
,
Working Paper
, Title:

Bacterial Associates of a Desert Specialist Fungus-Growing Ant Antagonize Competitors with a Nocamycin Analog

, Authors: Katherine A. Hansen, Rose R. Kim, Elisabeth S. Lawton, Janet Tran, Stephanie K. Lewis, Arjan S. Deol, Ethan B. Van Arnam
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-tt6c1
 
Subject: Chemistry
,
Working Paper
, Title:

Identifying signatures of proteolytic stability and monomeric propensity in O-glycosylated insulin using molecular simulation

, Authors: Wei-Tse Hsu, Dominique Ramirez, Tarek Sammakia, Zhongping Tan, Michael Shirts
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2021-l2zd5-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Defluorinative Carboimination of Trifluoromethyl Ketones

, Authors: Xiaolong Zhang, Yongquan Ning, Zhaohong Liu, Shuang Li, Giuseppe Zanoni, Xihe Bi
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-5mcgj
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-Light-Induced Phosgenation Reaction of Amines by Oxygenation of Chloroform Using Chlorine Dioxide

, Authors: Haruyasu Asahara, Nozomi Takao, Maiko Moriguchi, Tsuyoshi Inoue, Kei Ohkubo
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-3cmtq
 
Subject: Chemistry
,
Working Paper
, Title:

Multimodal spectroscopy with chemometrics for the forensic analysis of Western Australian sandy soils

, Authors: Talia Newland, Kari Pitts, Simon Lewis
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2021-bv3mr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations

, Authors: Vale Cofer-Shabica, Maximilian Menger, Qi Ou, Yihan Shao, Joseph Subotnik, Shirin Faraji
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-ps9hr
 
Subject: Chemistry
,
Working Paper
, Title:

Regioselective Fluoroalkylphosphorylation of Unactivated Alkenes via Radical–Mediated Alkoxylphosphane Rearrangement

, Authors: Dong-Tai Xie, Hong-Lei Chen, Dian Wei, Bang-Yi Wei, Zheng-Hu Li, Jian-Wu Zhang, Wei Yu, Bing Han
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-vnh52
 
Subject: Chemistry
,
Review
, Title:

Hollow cathode discharge ionization mass spectrometry: detection, quantification and gas phase ion-molecule reactions of explosives and related compounds

, Authors: Huanhuan Hong, Ahsan Habib, Lei Bi, Deepro Qais, Luhong Wen
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-w1r5l
 
Subject: Chemistry
,
Working Paper
, Title:

A Multiple-Technique Approach to Inferring Bio-electrochemical Reaction Parameters

, Authors: Henry Lloyd-Laney, Nick Yates, Martin Robinson, Alice R. Hewson, Jess Branch, Glyn Hemsworth, Alan Bond, Alison Parkin, David Gavaghan
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-f1j3k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorescence Quenching of Xanthene Dyes during Amide Bond Formation using DMTMM

, Authors: Kristen Patterson, Misael Romero-Reyes, Jennifer Heemstra
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-k3531
 
Subject: Chemistry
,
Working Paper
, Title:

Active Template Strategy for the Preparation of Interlocked Nanocarbons

, Authors: James May, Jeff Van Raden, Ruth Maust, Lev Zakharov, Ramesh Jasti
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-qh5f3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel bromo, chloro, methoxy, and methyl ring-disubstituted isobutyl phenylcyanoacrylates

, Authors: Adriana M. Fricano, Lily L. Boland, Kelly A. Campbell, Nim Yan Chan, Jared A. Curry, Anh Dam, Jack Q. Gabrish, Clare E. Gordon, Megan E. Gross, Sara Rocus, William Schjerven, Gregory B. Kharas
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-7pt8n
 
Subject: Chemistry
,
Working Paper
, Title:

Grazing-Incidence Texture Tomography of a Patterned Organic Semiconductor Film

, Authors: Detlef Smilgies, Margaret Koker, Ruipeng Li, Leo Shaw, Zhenan Bao
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-zgh41
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Oxidative Rearrangement of Tetrahydro-β-carbolines in Zero-gap Flow Cell

, Authors: Yiting Zheng, Yuen Tsz Chueng, Lixin Liang, Huiying Qiu, Terry Tong, Lei Zhang, Anson Tsang, Qing Chen, Rongbiao Tong
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-4s4g9
 
Subject: Chemistry
,
Working Paper
, Title:

Large Scale Study of Ligand-Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols

, Authors: Agastya P Bhati, Peter V. Coveney
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2021-zdzng-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting spinel solid solutions using a random atom substitution method

, Authors: Robert Dickson, Troy Manning, Edwin Raj, Jonathan Booth, Matthew Rosseinsky, Matthew Dyer
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.26434/chemrxiv-2022-v4qvl
 
Subject: Politics and International Relations
,
Working Paper
, Title:

A Limited Time Offer: Exploring Adjunct, Visiting, and Fixed-Term Positions

, Authors: Austin Trantham, Connor J.S. Sutton, Margaret Mary Ochner, Jennifer E. Lamm
Version undefined posted 02 March 2022
Posted
Mar 02, 2022
10.33774/apsa-2022-wk9v5
 
Subject: Chemistry
,
Working Paper
, Title:

LabInform: A Modular Laboratory Information System Built From Open Source Components

, Authors: Till Biskup
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-vz360
 
Subject: Chemistry
,
Working Paper
, Title:

From molecular adsorption to decomposition of methanol on various ZnO facets: A Periodic DFT study.

, Authors: Shweta mehta, Kavita Joshi
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-rw2wm
 
Subject: Chemistry
,
Working Paper
, Title:

Doping nature of group V elements in ZnO single crystals grown from melts at high pressure

, Authors: Nikolai O. Taibarei, Vladimir G. Kytin, Elizaveta A. Konstantinova, Vladimir A. Kulbachinskii, Olga A. Shalygina, Alexander V. Pavlikov, Serguei V. Savilov, Viktor A. Tafeenko, Vladimir A. Mukhanov, Vladimir L. Solozhenko, Andrei N. Baranov
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-20fkz
 
Subject: Chemistry
,
Review
, Title:

Molecular dynamics simulations reveal the importance of conformational changes, glycosylation, mutations, and drug repurposing for the Sars-Cov-2 spike protein

, Authors: Ludovico Pipitò, Roxana M. Rujan, Christopher A. Reynolds, Giuseppe Deganutti
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-3rpg3
 
Subject: Chemistry
,
Working Paper
, Title:

Tension-Induced Phase Transformation and Anomalous Poisson Effect in Violet Phosphorene

, Authors: Penghua Ying, Xiaowen Li, Xiaobin Qiang, Yao Du, Jin Zhang, Lang Chen, Zheng Zhong
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-kw6tp
 
Subject: Chemistry
,
Working Paper
, Title:

Using core-hole reference states for calculating X-ray photoelectron and emission spectra

, Authors: Andreas Dreuw, Thomas Fransson
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-vllwh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient pretreatment using dimethyl isosorbide as a biobased solvent for potential complete biomass valorization

, Authors: Shuang Yang, Xianpeng Yang, Xianzhi Meng, Lei Wang
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-ksvbx
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Bioanalytical Workflow for Ligand Binding Based Pharmacokinetic Assay Development

, Authors: Brad Evans, Lai Yeung, Armen Beck, Annie Li, Dong Hun Lee, Gaurav Chopra, Kevin Bateman
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-b3gn1
 
Subject: Chemistry
,
Working Paper
, Title:

Empowering Visible Light Catalysis: Brominative Dearomatizationof Biaryl Ynones

, Authors: Barnali Roy, Puspendu Kuila, Dr. Debayan Sarkar
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-dccgz
 
Subject: Chemistry
,
Working Paper
, Title:

Anharmonic Coupling of Stretching Vibrations in Ice: A Periodic VSCF and VCI Description

, Authors: Raymond Schireman, Jefferson Maul, Alessandro Erba, Michael Ruggiero
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-sh3qj
 
Subject: Chemistry
,
Working Paper
, Title:

Low Salinity Water and Foam Flooding in Sandstone Reservoirs Bearing Heavy Oil

, Authors: Hasan Naeem Al-Saedi
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-4l5xz
 
Subject: Chemistry
,
Working Paper
, Title:

Umpolung of Indoles: Triflic Acid-Mediated C3-Regioselective Hydroarylation of N-H Indoles

, Authors: Nazarii Sabat, Weiping Zhou, Vincent Gandon, Xavier Guinchard, Guillaume VINCENT
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-c69mz-v2
 
Subject: Chemistry
,
Review
, Title:

NMR snapshots of nascent chains emerging from the ribosome during biosynthesis

, Authors: Sammy HS Chan, Christopher A Waudby, John Christodoulou
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-0lmsp
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Synthesis of Versatile Stereogenic-at-P(V) Building Blocks via Hydrogen-Bond-Donor Catalysis

, Authors: Katherine Forbes, Eric Jacobsen
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-3hkj1
 
Subject: Chemistry
,
Working Paper
, Title:

Tetraanionic arachno-Carboranyl Ligand Imparts Strong Axiality to Terbium(III) Single-Molecule Magnets

, Authors: Peng-Bo Jin, Ke-Xin Yu, Qian-Cheng Luo, Ye-Ye Liu, Yuan-Qi Zhai, Yan-Zhen Zheng
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-rgvwg
 
Subject: Chemistry
,
Working Paper
, Title:

Recycling of Carbon Fiber Reinforced Polymers in a Subcritical Acetic Acid Solution

, Authors: Shreyas Shetty, Brian Pinkard, Igor Novosselov
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-xlttk
 
Subject: Chemistry
,
Working Paper
, Title:

The Influence of molecular design on structure-property relationships of a supramolecular polymer prodrug

, Authors: Kelsey G. DeFrates, Joakim Engström, Nivedina A. Sarma, Athiyya Umar, Jisoo Shin, Jing Cheng, Ahmad K. Omar, Phillip Messersmith
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-7g2qs
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced methanol production over non-promoted Cu-MgO-Al2O3 materials with ex-solved 2 nm Cu particles: Insights from an Operando spectroscopic study

, Authors: Jorge Cored, Jaime Mazarío, Cristina Cerdá-Moreno, Pablo G. Lustemberg, M. Verónica Ganduglia-Pirovano, Marcelo Domine, Patricia Concepción
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-l8z6j
 
Subject: Chemistry
,
Working Paper
, Title:

Transformer Oil Nanofluids by Two Dimensional hexagonal Boron Nitride Nanofillers

, Authors: Mississippi Missouri Bhunia, Paramita Chattopadhyay, Kalyan Kumar Chattopadhyay
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-lddzf
 
Subject: Chemistry
,
Working Paper
, Title:

Defining the Temperature of an Isolated Molecule

, Authors: Mario BARBATTI
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-5kr7s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Spike selection in SARS-CoV-2 variants across different geographical regions reveals unique signature patterns and differential stability with drug interaction

, Authors: Devang Haresh Liya, Nithishwer Mouroug Anand, Ashwin Kumar Jainarayanan, Mirudula Elanchezhian, Madhumati Seetharaman, Dhanuush Balakannan, Arpit Kumar Pradhan
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-nr55r
 
Subject: Chemistry
,
Working Paper
, Title:

A database of chemical compositions of Persian medicinal herbs

, Authors: Mohammad Hossein Karimi-Jafari, Rohoullah Firouzi, Mitra Ashouri, Atefeh Poursoleiman
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.26434/chemrxiv-2022-8rrwp
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Things that Can Go “Wrong”: Finding Our Own Way in Graduate School

, Authors: Misbah Hyder, Dana El Kurd, Felicity Gray, Devon Cantwell-Chavez, Alisson Rowland
Version undefined posted 03 March 2022
Posted
Mar 03, 2022
10.33774/apsa-2022-m1g8c
 
Subject: Chemistry
,
Working Paper
, Title:

Steering the Mechanism of the Furan-Maleimide Retro-Diels-Alder Reaction to a Sequential Pathway with an External Mechanical Force

, Authors: Manuel Cardosa-Gutierrez, Guillaume De BO, Anne-Sophie Duwez, Francoise Remacle
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-g64jp
 
Subject: Chemistry
,
Working Paper
, Title:

Potential COVID-19 therapies from computational repurposing of drugs and natural products against the SARS-CoV-2 helicase

, Authors: Sakshi Piplani, Puneet Singh, David Winkler, Nikolai Petrovsky
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-0zlr3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel fluoro and iodomethoxy ring-disubstituted isobutyl phenylcyanoacrylates

, Authors: Magen A. Higgs, Kelly C. Ho, Kristin N. Huffman, Alexis L. Johnson, Paulina Kapica, Melanie A. Knight, Ashley Lehan Lehan, Christina Guyn, Briana N. Hryhorysak, Sara M. Rocus, Gregory B. Kharas, William S. Schjerven
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-2znwc
 
Subject: Chemistry
,
Working Paper
, Title:

Basis Set Dependence of Optical Rotation Calculations with Different Choices of Gauge

, Authors: Taylor Parsons, Ty Balduf, James Cheeseman, Marco Caricato
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-n5jqd
 
Subject: Chemistry
,
Working Paper
, Title:

Gram-scale asymmetric synthesis of fluorinated amino acids using a chiral nickel(II) complex

, Authors: Thomas Hohmann, Michael Dyrks, Suvrat Chowdhary, Manuela Weber, Duy Nguyen, Johann Moschner, Beate Koksch
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-wt95d
 
Subject: Chemistry
,
Working Paper
, Title:

Biology-directed and in silico-aided design liberates a potent, simplified and ipomoeassin-F-derived Sec61 inhibitor

, Authors: Sarah O'Keefe, Pratiti Bhadra, Kwabena Duah, Guanghui Zong, Levise Tenay, Lauren Andrews, Hayden Schneider, Ashley Anderson, Zhijian Hu, Hazim Aljewari, Belinda Hall, Rachel Simmonds, Volkhard Helms, Stephen High, Wei Shi
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-sc5xv
 
Subject: Chemistry
,
Working Paper
, Title:

Ultra-stable Transformer Oil nanofluids with significant AC Breakdown Voltage enhancement at ultra-low filler fraction of functionalized boron nitride nanosheets

, Authors: Mississippi Missouri Bhunia, Kalyan Kumar Chattopadhyay, Paramita Chattopadhyay
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-k403h
 
Subject: Chemistry
,
Working Paper
, Title:

Monothia [22]pentaphyrin(2.0.1.1.0): A core modified isomer of Sapphyrin

, Authors: Sipra Sucharita Sahoo, Pradeepta Panda
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-cqf2x
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating educators’ perspectives towards systems thinking in chemistry education from international contexts

, Authors: Alisha R. Szozda, Kathryn Bruyere, Hayley Lee, Peter G. Mahaffy, Alison B. Flynn
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-kb1s1
 
Subject: Chemistry
,
Working Paper
, Title:

Microfluidic Chain Reaction of Structurally Programmed Capillary Flow Events

, Authors: Mohamed Yafia, Oriol Ymbern, Ayokunle Olanrewaju, Azim Parandakh, Ahmad Sohrabi Kashani, Johan Renault, Zijie Jin, Geunyong Kim, Andy Ng, David Juncker
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2021-3w6n8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Driven Molecular Motors Embedded in Covalent Organic Frameworks

, Authors: Cosima Stähler, Lars Grunenberg, Maxwell W. Terban, Wesley R. Browne, Daniel Doellerer, Michael Kathan, Martin Etter, Bettina V. Lotsch, Ben L. Feringa, Simon Krause
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-xz8kt
 
Subject: Chemistry
,
Working Paper
, Title:

Sooting tendencies of terpenes and hydrogenated terpenes as sustainable transportation biofuels

, Authors: Junqing Zhu, Juan V. Alegre-Requena, Patrick Cherry, Dominic Curtis, Benjamin G. Harvey, Mohamed A. Jabed, Seonah Kim, Charles S. McEnally, Lisa D. Pfefferle, Josanne-Dee Woodroffe
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-g2wdd
 
Subject: Chemistry
,
Working Paper
, Title:

Visualizing the entire range of noncovalent interactions in nanocrystalline hybrid material using 3D electron diffraction

, Authors: Yi Luo, Max T.B. Clabbers, Jian Qiao, Zhiqing Yuan, Weimin Yang, Xiaodong Zou
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-znjd1
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Catalysis Fundamentals: II. Consequences of scaling relationships on mechanisms and kinetics

, Authors: Brandon Foley, Neil Razdan
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-sgc5w
 
Subject: Chemistry
,
Working Paper
, Title:

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

, Authors: Ryan Kingsbury, Andrew S. Rosen, Ayush S. Gupta, Jason Munro, Shyue Ping Ong, Anubhav Jain, Shyam Dwaraknath, Matthew K. Horton, Kristin A. Persson
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-3ptwx
 
Subject: Chemistry
,
Working Paper
, Title:

Structure and magnetic properties of Ni4V3O10, an antiferromagnet with three types of vanadium-oxygen polyhedra

, Authors: Zachary Riedel, Fatemeh Amerikheirabadi, Kejian Qu, Jeffrey Huang, Mebatsion Gebre, Ankita Bhutani, Richard Haasch, Pinshane Huang, André Schleife, Daniel Shoemaker
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-bnsdc
 
Subject: Chemistry
,
Working Paper
, Title:

Hydride-like NH2δ- species-driven reductive amination over Co@CoO catalyst

, Authors: Wanjun Guo, Zhiqiang Wang, Shuang Xiang, Yaxuan Jing, Yong Guo, Xiaohui Liu, Xue-qing Gong, Yanqin Wang
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-gkk7l
 
Subject: Chemistry
,
Working Paper
, Title:

Stable acceptor-donor-acceptor type open-shell diradical with ultra-narrow bandgap and efficient photothermal conversion

, Authors: Liang Weixuan, Wang Zejun, Huang Jiaxing, Tao XIngyang, Li Yuan
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-9nf2m
 
Subject: Chemistry
,
Review
, Title:

Density Functional Tight Binding Calculations for Probing Electronic-Excited States of Large Systems

, Authors: Sharma Yamijala, M. Belen Oviedo, Bryan Wong
Version undefined posted 04 March 2022
Posted
Mar 04, 2022
10.26434/chemrxiv-2022-22ts5
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Atoms and Bonds: Contextual Explainability via Molecular Graphical Depictions

, Authors: Marco Bertolini, Linlin Zhao, Djork-Arné Clevert, Floriane Montanari
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-dz4zc
 
Subject: Chemistry
,
Working Paper
, Title:

Modulating Noncovalent and Covalent Forces to Control Inverse Phosphocholine Lipid Self-Assembly on Inorganic Surfaces

, Authors: Tun Naw Sut, Abdul Rahim Ferhan, Soohyun Park, Dong Jun Koo, Bo Kyeong Yoon, Joshua A. Jackman, Nam-Joon Cho
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-dr88n
 
Subject: Chemistry
,
Working Paper
, Title:

Conformality of atomic layer deposition in microchannels: impact of process parameters on the simulated thickness profile

, Authors: Jihong Yim, Emma Verkama, Jorge Velasco, Karsten Arts, Riikka Puurunen
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2021-2j4n1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Divide-and-conquer: a flexible deep learning strategy for exploring metabolic heterogeneity from mass spectrometry imaging data

, Authors: Lei Guo, Jiyang Dong, Xiangnan Xu, Zhichao Wu, Yinbin Zhang, Yongwei Wang, Pengfei Li, Chao Zhao, Zongwei Cai
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-xl12g
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging Database Analysis with Microrheology to Reveal Super-Hydrodynamic Conductivity Scaling Regimes in Ionic Liquids

, Authors: Ryan Cashen, Megan Donoghue, Abigail Schmeiser, Matthew Gebbie
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-50gnd
 
Subject: Chemistry
,
Working Paper
, Title:

X-band Parallel-Mode and Multifrequency Electron Paramagnetic Resonance Spectroscopy of S = 1/2 Bismuth Centers

, Authors: Julia Haak, Julia Krüger, Nikolay Abrosimov, Christoph Helling, Stephan Schulz, George Cutsail III
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-wp6l3
 
Subject: Chemistry
,
Working Paper
, Title:

The potential scarcity, or not, of polymeric overall water splitting photocatalysts

, Authors: Benedict Saunders, Liam Wilbraham, Andrew Prentice, Reiner Sebastian Sprick, Martinus Antonius Zwijnenburg
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2021-s5fkj-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Boron-promoted Deprotonative Conjugate Addition: Development of Geminal diborons as Versatile Soft Pronucleophiles and Acyl An-ion Equivalents

, Authors: Lucia Wang, Shengjia Lin, Emmanuel Santos, Jenna Pralat, Kaylyn Spotton, Abhishek Sharma
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-kbb2w
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating Python into Physical Chemistry Lab

, Authors: Marie van Staveren
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-09k30
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of ring modifications on nucleolar stress caused by oxaliplatin-like compounds

, Authors: Christine McDevitt, Andres Guerrero, Haley Smith, Victoria DeRose
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-v015w
 
Subject: Chemistry
,
Review
, Title:

Concepts and principles of self-n-doping in perylene diimide chromophores for applications in biochemistry, energy harvesting, energy storage, and catalysis

, Authors: Daniel Powell, Luisa Whittaker-Brooks
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-pjjr5
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding MOF nucleation from solution with Evolving Graphs

, Authors: Loukas Kollias, Roger Rousseau, Vassiliki-Alexandra Glezakou, Matteo Salvalaglio
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2021-00kkd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photoactivation Properties of Self-n-Doped Perylene Diimides: Concentration-Dependent Radical Anion and Dianion Formation

, Authors: Daniel Powell, Zayn Rhodes, Xinwen Zhang, Jacob Miller, McKenzie Jonely, Kameron Hansen, Chideraa Nwachukwu, Andrew Roberts, He Wang, Rodrigo Noriega, Shelley Minteer, Luisa Whittaker-Brooks
Version undefined posted 07 March 2022
Posted
Mar 07, 2022
10.26434/chemrxiv-2022-0tbmt
 
Subject: Chemistry
,
Review
, Title:

A Deep Insight into the Application of Linear Free Energy Relationships (LFER) to Five Membered Heterocyclic Ring Systems: A Review

, Authors: Sanjeev Rachuru, jagannadham vandanapu
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-lzwc5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Home-built spinning apparatus for drying agarose-based imaging mass spectrometry samples

, Authors: Hannah Lusk, Sarah Levy, Tova Bergsten, Joanna Burdette, Laura Sanchez
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-czsx6
 
Subject: Chemistry
,
Working Paper
, Title:

Self-assembly-Induced Highly Efficient Electrochemiluminescence of Copper Nanocluster

, Authors: Yanfei Shen, Zhenqiang Ning, Qian Sun, Erli Yang, Fei Yin, Mengyuan Chen, Guoqiu Wu, Yuanjian Zhang
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-btpkm
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the Structure-Activity Relationship of Marine Polycyclic Batzelladine Alkaloids as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)

, Authors: Alaa M. Elgohary, Abdo A. Elfiky, Florbela Pereira, Tarek Mohamed Abd El-Aziz, Mansour Sobeh, Reem K. Arafa, Amr El-Demerdash
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-h58mk
 
Subject: Chemistry
,
Working Paper
, Title:

7-Aminoalkoxy-Quinazolines from Epigenetic Focused Libraries are Potent and Selective Inhibitors of DNA Methyltransferase 1

, Authors: José L. Medina-Franco, Edgar López-López, Liliam P. Martínez-Fernández
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-f30sm
 
Subject: Chemistry
,
Working Paper
, Title:

The electrochemical measurement of salt diffusion coefficient, apparent cation transference number and ionic conductivity for a thin-film electrolyte.

, Authors: Karol Pożyczka
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-1blx8
 
Subject: Chemistry
,
Working Paper
, Title:

Pd(II)-Catalyzed C(alkenyl)–H Activation Facilitated by a Transient Directing Group

, Authors: Mingyu Liu, Juntao Sun, Tuğçe Erbay, Hui-Qi Ni, Raúl Martín-Montero, Peng Liu, Keary Engle
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-d0zfn
 
Subject: Chemistry
,
Working Paper
, Title:

Germylene stabilized copper(I) halide complexes as catalysts for click and C-S coupling reactions

, Authors: Dhirendra Yadav, Pritam Mahawar, Hemant Kumar, Debotra Sarkar, Soumen Sinhababu, Mahendra Kumar Sharma, Chandan Kumar Jha, Surendar Karwasara, Nagendran Selvarajan
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-fjmpj
 
Subject: Chemistry
,
Review
, Title:

Confinement of Luminescent Guests in Metal-Organic Frameworks: Understanding Pathways from Synthesis and Multimodal Characterization to Potential Applications of LG@MOF Systems

, Authors: Mario Gutiérrez, Yang Zhang, Jin-Chong Tan
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-t180g
 
Subject: Chemistry
,
Review
, Title:

Recent Development of Polysaccharide-Derived Hydrogel: Properties, Stimuli-Responsiveness and Bioapplications

, Authors: Ishita Mukherjee
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-sn9q4
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum effects in photosensitization: The case of singlet oxygen generation by thiothymines

, Authors: Meghna Manae, Anirban Hazra
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-gj54j
 
Subject: Chemistry
,
Working Paper
, Title:

Binding Reactions at Finite Systems

, Authors: Ronen Zangi
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2021-pg5sc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Active site remodelling of a cyclodipeptide synthase redefines substrate scope

, Authors: Emmajay Sutherland, Christopher Harding, Clarissa Czekster
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2021-8rm54-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium and Tantalum Oxide Nanoclusters in Solution

, Authors: Enric Petrus, Mireia Segado-Centellas, Carles Bo
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-2pt95
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling the Structure-Activity Relationships at the Orthosteric Binding Site of P2X Ion Channels: The Route to Selectivity.

, Authors: Andreas Isaak, Clemens Dobelmann, Friederike Theresa Füsser, Katharina Sophie Erlitz, Oliver Koch, Anna Junker
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-k4nbr
 
Subject: Chemistry
,
Working Paper
, Title:

Highly sensitive electrochemical sensor for the detection of Shiga toxin-producing E. coli using interdigitated micro-electrodes selectively modified with a chitosan-gold nanocomposite

, Authors: Luiza Wasiewska, Fernando Diaz, Han Shao, Catherine Burgess, Geraldine Duffy, Alan O'Riordan
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-qfj83
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Efficient Unitized Regenerative Hydrogen Peroxide Cycle Cell with Ultra-Low Overpotential for Renewable Energy Storage

, Authors: Jie Yang, Ruimin Ding, Chang Liu, Shanshan Liu, Qinchao Xu, Lifang Chen, Jingchao Chen, Junfen Li, Xi Yin
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-9jx4k
 
Subject: General Science
,
Working Paper
, Title:

Quantum Determinism Does Not Preclude Free Will

, Authors: Serge Dolgikh
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.33774/coe-2022-dcnmk
 
Subject: Chemistry
,
Working Paper
, Title:

Virtual quasi-2D intermediates as building blocks for plausible structural models of amyloid fibrils from proteins with complex topologies: A case study of insulin

, Authors: Wojciech Puławski, Wojciech Dzwolak
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-dsvr1
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of HDAC10 Inhibitors that Modulate Autophagy in Transformed Cells

, Authors: Patrik Zeyen, Yanira Zeyn, Daniel Herp, Fereshteh Mahmoudi, Talha Yesiloglu, Frank Erdmann, Matthias Schmidt, Dina Robaa, Christophe Romier, Johannes Ridinger, Corey J. Herbst-Gervasoni, David Christianson, Ina Oehme, Manfred Jung, Oliver H. Kraemer, Wolfgang Sippl
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2022-kh906-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Localized Quantum Chemistry on Quantum Computers

, Authors: Matthew Otten, Matthew Hermes, Riddhish Pandharkar, Yuri Alexeev, Stephen Gray, Laura Gagliardi
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.26434/chemrxiv-2021-0nmwt-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Preparing for the First Solo Teaching Experience: An Alternative to Learning as You Go

, Authors: Christina Boyes, Mario Guerrero, Matt Lamb, Mary Anne S. Mendoza
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.33774/apsa-2022-mvfw4
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Good Democratic Governance Can Combat COVID-19-Excess Mortality Analysis

, Authors: Susumu Annaka
Version undefined posted 08 March 2022
Posted
Mar 08, 2022
10.33774/apsa-2021-l8k5x-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel fluoro, methyl, and phenoxy ring-disubstituted isobutyl phenylcyanoacrylates

, Authors: Kaartikeya Gupta, Amna Farshori, Maya R. Fitzgerald, Rachel I. Lewandowski, Michael J. Mojarro, Alexis Petrauskas, Shailar K. Webber, Lucienna M. Wolf, Sara M. Rocus, William S. Schjerven, Gregory Kharas
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-97js6
 
Subject: Chemistry
,
Working Paper
, Title:

Modelling structural properties of cyanine dye nanotubes at coarse-grained level

, Authors: Ilias Patmanidis, Paulo C. T. Souza, Selim Sami, Remco W. A. Havenith, Alex H. de Vries, Siewert J. Marrink
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-75w3f
 
Subject: Chemistry
,
Review
, Title:

Insights into chemically-fueled supramolecular polymers

, Authors: Anastasiia Sharko, Dimitri Livitz, Serena De Piccoli, Kyle Bishop, Thomas Hermans
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-jd607
 
Subject: Chemistry
,
Working Paper
, Title:

Cuban natural palygorskite nanoclays for the removal of sulfamethoxazole from aqueous solutions

, Authors: Aramis Rivera, Dayaris Hernández, Livania Quiñones, Lismet Lazo, Clarance Charnay, Martha Velázquez
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-s2hdm
 
Subject: Chemistry
,
Working Paper
, Title:

Site-selective deuteration of amino acids through dual protein catalysis

, Authors: Tyler Doyon, Andrew Buller
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-8l577
 
Subject: Chemistry
,
Working Paper
, Title:

Trace Residue Identification, Characterization and Longitudinal Monitoring of the Novel Synthetic Opioid β-U10, from Discarded Drug Paraphernalia

, Authors: Henry West, John Fitzgerald, Katherine Hopkins, Michael Leeming, Matthew Di Rago, Dimitri Gerostamoulos, Nicolas Clark, Paul Dietze, Jonathan White, James Ziogas, Gavin Reid
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-2br4r
 
Subject: Chemistry
,
Working Paper
, Title:

Activation of H2O tailored by interfacial electronic states at nanoscale interface for enhanced electrocatalytic hydrogen evolution

, Authors: Kun Zhang, Pan-Yue Wang, Jia-Feng Zhou, Hui Chen, Bo Peng
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-jc1vh
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction Of QcrB Inhibition As A Measure Of Antitubercular Activity With Machine Learning Protocols.

, Authors: Afreen Khan, Ketki Bhave, Sannidhi Poojary, Krishna Iyer, Santosh Nandan, Evans Coutinho
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-rhj07
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery and heterologous expression of microginins from Microcystis aeruginosa LEGE 91341

, Authors: Nádia Eusébio, Raquel Castelo-Branco, Diana Sousa, Marco Preto, Paul D'Agostino, Tobias Gulder, Pedro Leão
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-7bsz1
 
Subject: Chemistry
,
Working Paper
, Title:

In Silico Characterization of Essential Hypothetical Proteins from Francisella tularensis Schu S4 Strain.

, Authors: Sheikh Sunzid Ahmed
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-mwj1g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

N-doped Nonalternant Aromatic Belt via a Six-fold Annulative Double N-Arylation

, Authors: Kenichiro Itami, Hiroki Sato, Rie Suizu, Tomoki Kato, Akiko Yagi, Yasutomo Segawa, Kunio Awaga
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-jqvv2
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced susceptibility of SARS-CoV-2 spike RBD protein assay targeted by cellular receptors ACE2 and CD147: multivariate data analysis of multisine impedimetric response

, Authors: Mateusz Brodowski, Mattia Pierpaoli, Monika Janik, Marcin Kowalski, Mateusz Ficek, Pawel Slepski, Bartosz Trzaskowski, Greg Swain, Jacek Ryl, Robert Bogdanowicz
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-n7gj3
 
Subject: Chemistry
,
Working Paper
, Title:

Relayed Hyperpolarization for Zero-Field Nuclear Magnetic Resonance

, Authors: Erik Van Dyke, James Eills, Roman Picazo-Frutos, Kirill Sheberstov, Yinan Hu, Dmitry Budker, Danila Barskiy
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-1njs9
 
Subject: Chemistry
,
Working Paper
, Title:

Hollow Microneedle Array Fabrication with Rational Design to Prevent Skin Clogging in Transdermal Drug Delivery

, Authors: Nur Unver, Gokcen Birlik Demirel, Sedat Odabas, Osman Tolga Gul
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-zwssl
 
Subject: Chemistry
,
Review
, Title:

Transition Metal-catalyzed C-H /C-C Activation and Coupling with 1, 3-diyne

, Authors: Bedadyuti Vedvyas Pati, Nitha Nahan Puthalath, Shyam Kumar Banjare, Tanmayee Nanda, Ponneri C. Ravikumar
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-lqjqr
 
Subject: Chemistry
,
Review
, Title:

Direct contact, dissolution and generation of reactive oxygen species: How to optimize the antibacterial effects of layered double hydroxides

, Authors: Jazia Awassa, Damien Cornu, Christian Ruby, Sofiane El-Kirat Chatel
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-9n0tj
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a chiral SFC-MS/MS and reversed-phase LC-MS/MS platform for the quantitative metabolic profiling of octadecanoid oxylipins

, Authors: Alessandro Quaranta, Benedikt Zöhrer, Johanna Revol-Cavalier, Kurt Benkestock, Laurence Balas, Camille Oger, Gregory S. Keyes, Åsa M. Wheelock, Thierry Durand, Jean-Marie Galano, Christopher E. Ramsden, Mats Hamberg, Craig E. Wheelock
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-l76sc
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Fair and Square Redistricting

, Authors: James Fox
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.33774/apsa-2020-5vg8w-v13
 
Subject: Chemistry
,
Working Paper
, Title:

A photo-responsive transmembrane anion transport relay

, Authors: Toby Johnson, Amir Sadeghi-Kelishadi, Matthew Langton
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-zdq74
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous Ammonia Oxidation Through Coordination Induced Bond Weakening in Molybdenum Complexes of a Dianionic Pentadentate Ligand Platform

, Authors: C. Christopher Almquist, Nicole Removski, Thayalan Rajeshkumar, Benjamin Gelfand, Warren Piers, Laurent Maron
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-xcqq5
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery and Characterization of a Terpene Biosynthetic Pathway featuring a Norbornene-forming Diels-Alderase

, Authors: Zuodong Sun, Cooper Jamieson, Masao Ohashi, Kendall Houk, Yi Tang
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-dst89
 
Subject: Chemistry
,
Working Paper
, Title:

Robust Analysis of 4e− vs 6e− reduction of Nitrogen on metal surfaces and single atom alloys

, Authors: Lydia Maria Tsiverioti, Lance Kavalsky, Venkatasubramanian Viswanathan
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-197kq
 
Subject: Chemistry
,
Working Paper
, Title:

Natural product inspired chiral ligand design: Aloperine induced asymmetric hydroarylation of ketimines under Pd catalysed conditions

, Authors: Xuegang Fu, Yuting Yan, Hexin Sun, Siying Li, Jianhui Huang
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-z90nh
 
Subject: Chemistry
,
Working Paper
, Title:

Alkyl Sulfoxides as Radical Precursors and Their Use in the Synthesis of Pyridine Derivatives

, Authors: Demeng Xie, Yingwei Wang, Xia Zhang, Zhengyan Fu, Dawen Niu
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-3j8zm
 
Subject: Chemistry
,
Working Paper
, Title:

MACAW: an accessible tool for molecular embedding and inverse molecular design

, Authors: Vincent Blay, Tijana Radivojevic, Jonathan E. Allen, Corey M. Hudson, Hector Garcia-Martin
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.26434/chemrxiv-2022-x647j
 
Subject: Politics and International Relations
,
Working Paper
, Title:

A Realistic Analysis of the Stuxnet Cyber-attack

, Authors: Ahmad Mohee
Version undefined posted 09 March 2022
Posted
Mar 09, 2022
10.33774/apsa-2022-qs797
 
Subject: Chemistry
,
Working Paper
, Title:

Characterization of a new G-type halohydrin dehalogenase with enhanced catalytic activity

, Authors: Sophie Günther, Anett Schallmey
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-p9rzx
 
Subject: Chemistry
,
Working Paper
, Title:

A Shelf Stable Fmoc Hydrazine Resin for the Synthesis of Peptide Hydrazides

, Authors: Michael J. Bird, Philip E. Dawson
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-twsfh
 
Subject: Chemistry
,
Working Paper
, Title:

New Steroidal Saponins from Rhizomes of Trillium govanianum: Gram Scale Isolation and Acetylcholinesterase Inhibitory Activity Evaluation

, Authors: Prithvi Pal Singh, Patil Shivprasad Suresh, Anmol -, Upendra Sharma
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-qxprq
 
Subject: Chemistry
,
Working Paper
, Title:

Delicate, a study of structural change in ten-coordinated La(III), Ce(III), Pr(III), Nd(III), Sm(III) and Eu(III) sulfates

, Authors: Maria Storm Thomsen, Thomas Just Sørensen
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-45z9v
 
Subject: Chemistry
,
Working Paper
, Title:

The dielectric function profile across the water interface through surface-specific vibrational spectroscopy and simulations

, Authors: Kuo-Yang Chiang, Takakazu Seki, Chun-Chieh Yu, Tatsuhiko Ohto, Johannes Hunger, Mischa Bonn, Yuki Nagata
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-wgwzj
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated Synthesis and Discovery of Covalent Organic Framework Photocatalysts for Hydrogen Peroxide Production

, Authors: Wei Zhao, Peiyao Yan, Boyu Li, Mounib Bahri, Lunjie Liu, Xiang Zhou, Rob Clowes, Nigel D. Browning, Yue Wu, John W. Ward, Andrew I. Cooper
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-8ssqx
 
Subject: Chemistry
,
Review
, Title:

Reactivity of Alkynes with M-C Bonds generated through C-H Activation

, Authors: Shyam Kumar Banjare, Pranav Shridhar Mahulkar, Tanmayee Nanda, Bedadyuti Vedvyas Pati, Lamphiza O Najiar, Ponneri C. Ravikumar
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-zj62l
 
Subject: Chemistry
,
Working Paper
, Title:

Proton and Oxide Ion Conductivity in Palmierite Oxides

, Authors: Sacha Fop, James Dawson, Dylan Tawse, Matthew Skellern, Jan Skakle, Abbie Mclaughlin
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-58mlf
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling One- or Two-Electron Oxidation for Selective Amine Functionalization by Alternating Current Frequency

, Authors: Disni Gunasekera,, Jyoti Mahajan, Yanick Wanzi, Sachini Rodrigo, Wei Liu, Ting Tan, LONG LUO
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-4rkf5
 
Subject: Chemistry
,
Working Paper
, Title:

Intra-Lattice Inverse Charge Transfer in Bimetallic Electrocatalysts

, Authors: Sahanaz Parvin, Neha Bothra, Ashwani Kumar, Maglu Mura, Dhirendra K. Chaudhary, Parasmani Rajput, Manvendra Kumar, Swapan K. Pati, Sayan Bhattacharyya
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-v492x
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting quantum-accurate electron densities for DNA with equivariant neural networks

, Authors: Alex Lee, Joshua Rackers, William Bricker
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-pmrg8
 
Subject: Chemistry
,
Working Paper
, Title:

The role of asymmetry on the photoisomerization of dithienylethene molecule photoswitch

, Authors: Edison Salazar, Suzanne Reinink, Shirin Faraji
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-z1sk3
 
Subject: Chemistry
,
Working Paper
, Title:

Attomolar sensitivity microRNA detection using real-time digital microarrays

, Authors: Fulya Ekiz Kanik, Iris Celebi, Derin Sevenler, Kahraman Tanriverdi, Nese Lortlar Unlu, Jane Freedman, Selim Unlu
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-cl1bp
 
Subject: Chemistry
,
Working Paper
, Title:

Exchange Spin Coupling in Optically Excited States

, Authors: Torben Steenbock, Lawrence L.M. Rybakowski, Dominik Benner, Carmen Herrmann, Gabriel Bester
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-0t3fr
 
Subject: Chemistry
,
Working Paper
, Title:

Solvent Dependent Activity of Candida Antarctica lipase B and its Correlation with a Regioselective Mono Aza-Michael Addition- Experimental and Molecular Dynamics Simulation Studies

, Authors: Zohreh Nazarian, Seyed Shahriar Arab
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-2gkg4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Density Functional Theory of Water with the Machine-Learned DM21 Functional

, Authors: Etienne Palos, Eleftherios Lambros, Saswata Dasgupta, Francesco Paesani
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-73d0t
 
Subject: Chemistry
,
Working Paper
, Title:

SAM (self-assembled monolayer)-based Photocatalytic Chip from Immobilized Polytriazoles

, Authors: debasis samanta, P Ramar, V Raghavendra, P Murugan
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2021-f9ms4-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Oxide-supported carbonates reveal a unique descriptor for catalytic performance in the oxidative coupling of methane (OCM)

, Authors: Huan Wang, Roman Schmack, Sergey Sokolov, Evgenii Kondratenko, Aliaksei Mazheika, Ralph Kraehnert
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-gxt5n
 
Subject: Chemistry
,
Working Paper
, Title:

Valleriite-containing ore from Kingash deposit (Siberia, Russia): Mössbauer and X-ray photoelectron spectroscopy characterization, thermal and interfacial properties

, Authors: Yuri Mikhlin, Maxim Likhatski, Alexander Romanchenko, Sergey Vorobyev, Yevgeny Tomashevich, Olga Fetisova, Oleg Bayukov, Yuriy Knyazev, Ivan Nemtsev, Sergey Karasev, Anton Karacharov, Roman Borisov
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-mbm7b
 
Subject: Chemistry
,
Working Paper
, Title:

Ether cleavage and chemical removal of SU-8

, Authors: Jose M. Ripalda, Raquel Alvaro, María Luisa Dotor
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-49n7z
 
Subject: Chemistry
,
Working Paper
, Title:

On the potential intermediacy of PhIBr2 as a brominating agent

, Authors: Jason Dutton, David Wilson, Tania _, Andrew Molino
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-5ztvt
 
Subject: Chemistry
,
Working Paper
, Title:

Calibrating catalytic DNA nanostructures for site-selective protein modification

, Authors: Jordi Keijzer, Han Zuilhof, HB Albada
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-kbglv
 
Subject: Chemistry
,
Working Paper
, Title:

Addition Coupled Electron Transfer (ACET) and Addition Coupled Electron Coupled Proton Transfer (ACPCET)

, Authors: Yumiao Ma, Aqeel Hussein
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2021-qlh3r-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Side chain interactions govern the response of polypeptide alpha-helices under mechanical stress and prevent the formation of beta-sheets

, Authors: Marie Asano, Damien Sluysmans, Nicolas Willet, Colin Bonduelle, Sébastien Lecommandoux, Anne-Sophie Duwez
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2022-1tmlj
 
Subject: Chemistry
,
Working Paper
, Title:

Ni/Photoredox Dual Catalysis Sulfone Compounds Synthesised with Carbon Nitride as the Semiheterogeneous Photocatalyst

, Authors: Yang Liu, Joost Berkhong
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.26434/chemrxiv-2021-qhvq1-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Choice of Ideology and Everyday Decisions

, Authors: Carina Burs, Thomas Gries, Veronika Mueller
Version undefined posted 10 March 2022
Posted
Mar 10, 2022
10.33774/apsa-2022-0m7t5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A fast polarizable water model for atomistic simulations.

, Authors: Yeyue Xiong, Saeed Izadi, Alexey Onufriev
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-v80r5
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of pressure-vacuum swing adsorption processes for nitrogen rejection from natural gas streams using a nitrogen selective metal organic framework

, Authors: Nicholas Wilkins, Kasturi Nagesh Pai, Arvind Rajendran
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-3pfpl
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel dibromo and dichloro ring-disubstituted isobutyl phenylcyanoacrylates

, Authors: Daniah H. Ibrahim, Chris J. Lee, Daniel N. Madock, Marcin Marciniak, Miguel A. Montero, Juan Orozco, Viany Ortiz, Mica C. Robles, Sara Rocus, William Schjerven, Gregory B. Kharas
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-wsl29
 
Subject: Chemistry
,
Working Paper
, Title:

Evaporation and molecular beam scattering from a flat liquid jet

, Authors: Chin Lee, Marvin Pohl, Isaac Ramphal, Walt Yang, Bernd Winter, Bernd Abel, Daniel Neumark
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-fxnxv
 
Subject: Chemistry
,
Working Paper
, Title:

Unexpected Fluorescent Behavior of Maleimide Based Zwitterionic Molecule: Aggregation Induced Emission

, Authors: Dr. Ishita Mukherjee
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-7nns6
 
Subject: Chemistry
,
Working Paper
, Title:

Operando acoustic analysis: a valuable method for investigating reaction mechanisms in mechanochemistry

, Authors: César Leroy, Sébastien Mittelette, Gautier Félix, Nicolas Fabregue, Jessica Špačková, Philippe Gaveau, Thomas-Xavier Métro, Danielle Laurencin
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-zbnks
 
Subject: Chemistry
,
Working Paper
, Title:

Do Double Hybrid Functionals Benefit from Regularization in the PT2 term? Observations from an Extensive Benchmark

, Authors: Golokesh Santra, Jan M.L. Martin
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-1bcqc
 
Subject: Chemistry
,
Working Paper
, Title:

Solution aggregation of two carbamazepine co-crystal systems as indication of nucleation pathways

, Authors: Yichun Shen, Katharina Edkins
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-pjgw1
 
Subject: Chemistry
,
Working Paper
, Title:

Potentialities and Limitations of Machine Learning to Solve Mixing Problems: A Case Study

, Authors: Thomas Lynn, Julio Ottino, Richard Lueptow, Paul Umbanhowar
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-7n7ht
 
Subject: Mathematics
,
Working Paper
, Title:

Fermat’s last theorem proved in Hilbert arithmetic. I. From the proof by induction to the viewpoint of Hilbert arithmetic

, Authors: Vasil Penchev
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.33774/coe-2022-8hpw8
 
Subject: Chemistry
,
Review
, Title:

Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between

, Authors: Robert H. Lavroff, Harry W.T. Morgan, Zisheng Zhang, Patricia Poths, Anastassia N. Alexandrova
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-fcg6q
 
Subject: Mathematics
,
Working Paper
, Title:

Six New Theorems about Inscribed Triangle in a Circle

, Authors: Salman Mahmud
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.33774/coe-2022-vpnh7
 
Subject: Chemistry
,
Working Paper
, Title:

Diversification of Amidyl Radical Intermediates Derived from C–H Aminopyridylation

, Authors: Asim Maity, Pritam Roychowdhury, Roberto Herrera, David Powers
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-868tg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Formal Pericyclic-Coupled Electron Transfer: I. Stepwise Formal Diels-Alder Cycloaddition Enabled by Addition-Coupled Electron Transfer

, Authors: Yumiao Ma, Aqeel A. Husssein
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-zt155-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Electron correlation and vibrational effects in predictions of paramagnetic NMR shifts

, Authors: Aleksander Jaworski, Niklas Hedin
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-f2n3t
 
Subject: Chemistry
,
Working Paper
, Title:

General mechanism and mitigation for strong adhesion of frozen oil sands on solid substrates

, Authors: Qimeng Yang, Nikoo Moradpour, Jae Bem You, Dehui Wang, Boran Tian, Shaofeng Sun, Qi Liu, Xu Deng, Dan Daniel, Xuehua Zhang
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-pvwjn
 
Subject: Chemistry
,
Working Paper
, Title:

HADOKEN: An Open-Source Software Package for Predicting Electron Confinement Effects in Various Nanowire Geometries and Configurations

, Authors: Bryan Wong, Cameron Chevalier
Version undefined posted 11 March 2022
Posted
Mar 11, 2022
10.26434/chemrxiv-2022-jtchd-v2
 
Subject: Economics
,
Presentation
, Title:

Supply-Use and Input-Output Tables

, Authors: Sourish Dutta
Version undefined posted 13 March 2022
Posted
Mar 13, 2022
10.33774/coe-2022-d5qzv
 
Subject: Chemistry
,
Working Paper
, Title:

The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase

, Authors: Shunzhou Wan, Agastya P. Bhati, David W. Wright, Alexander D. Wade, Gary Tresadern, Herman van Vlijmen, Peter V. Coveney
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-cz4l5
 
Subject: Chemistry
,
Working Paper
, Title:

Water Structure at the Hydrophobic Droplet Surface Revealed by Vibrational Sum Frequency Scattering using Isotopic Dilution

, Authors: Saranya Pullanchery, Sergey Kulik, Sylvie Roke
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-cpfwx
 
Subject: Chemistry
,
Working Paper
, Title:

Cubic or not cubic? The short-range order of tin halide perovskites

, Authors: Lorenzo Malavasi, Marta Morana, Mauro Coduri, Rossella Chiara, Carlotta Giacobbe, Eleanor Lawrence Bright
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-3l933
 
Subject: Chemistry
,
Working Paper
, Title:

Organosuperbase Catalyzed 1,1-Diboration of Alkynes

, Authors: Son Hoai Doan, Nhan Nu Hong Ton, Binh Khanh Mai, Thanh Vinh Nguyen
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-9jqdm
 
Subject: Chemistry
,
Working Paper
, Title:

Transient host-guest complexation to control catalytic activity

, Authors: Michelle van der Helm, Guotai Li, Muhamad Hartono, Rienk Eelkema
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-bw4s8
 
Subject: Chemistry
,
Working Paper
, Title:

Phytochemicals based therapeutic approaches for Breast cancer targeting: Molecular docking study

, Authors: Arpana Parihar, Nidhi Puranik, Rekha Khandia, Raju Khan
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-k7gs1
 
Subject: Mathematics
,
Working Paper
, Title:

Designing an Efficient Way to Create New Veterinary Clinical Codes

, Authors: Edward Donlon, Ka Man (Ambrose) Yim
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.33774/miir-2022-72blf
 
Subject: Chemistry
,
Working Paper
, Title:

Novel non-canonical strigolactone analogs highlight selectivity for stimulating germination in two Phelipanche ramosa populations

, Authors: Suzanne Daignan Fornier, Alexandre de Saint Germain, Pascal Retailleau, Jean-Paul Pillot, Quentin Taulera, Lucile Andna, Laurence Miesch, Soizic Rochange, Jean-Bernard Pouvreau, François-Didier Boyer
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-2tk8x
 
Subject: Chemistry
,
Working Paper
, Title:

Gold(III) Chloride─tert-Butyl Cyanide Catalyzed Glycosidations with O-Glycosyl Trihaloacetimidates

, Authors: Tianlu Li, Tong Li, Yue Yang, Haoru Zhuang, Fengshan Wang, Hongxiang Lou, Richard Schmidt, Peng Peng
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-tv6ds
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen Bond Redistribution Effects in Mixtures of Protic Ionic Liquids Sharing the Same Cation: Nonideal Mixing with Large Negative Mixing Enthalpies

, Authors: Benjamin Golub, Daniel Ondo, Viviane Overbeck, Ralf Ludwig, Dietmar Paschek
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-w2x2w
 
Subject: Chemistry
,
Working Paper
, Title:

Telltale Diamagnetism at 50 K of a Coordination Polymer System

, Authors: Jun He, Xinhe Ye, Zhiqing Liu, Liangming Tang, Jieying Hu, Zhengtao XU
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-mld88-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrostatic Contributions to the Stability of an End-on Cupric Superoxide

, Authors: Alexander B. Weberg, Samuel P. McCollom, Ryan P. Murphy, Neil C. Tomson
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-lcb1w
 
Subject: Chemistry
,
Working Paper
, Title:

Cavity quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis. II. Analytic energy gradient

, Authors: Juejie Yang, Zheng Pei, Erick Calderon Leon, Carly Wickizer, Binbin Weng, Yuezhi Mao, Qi Ou, YIhan Shao
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2021-lf5m2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

ASpecD: A Modular Framework for the Analysis of Spectroscopic Data Focussing on Reproducibility and Good Scientific Practice

, Authors: Jara Popp, Till Biskup
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2021-6jt1l-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Photoreactivity of donor-acceptor stilbene complexes in a macrocyclic host

, Authors: Christopher Eckdahl, Carrie Ou, Suyog Padgaonkar, Mark Hersam, Emily Weiss, Julia Kalow
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-hwsl7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Behavior of Methane-Water Mixtures Under Elevated Pressures Using Many-Body Potentials

, Authors: Victor Naden Robinson, Raja Ghosh, Colin K. Egan, Marc Riera, Christopher Knight, Francesco Paesani, Ali Hassanali
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-sk6r0-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

International Mediation and The Responsibility to Protect

, Authors: Obinna Ifediora
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.33774/apsa-2022-3qqgn
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding and Utilizing Reactive Oxygen Reservoirs in Atomic Layer Deposition of Metal Oxides with Ozone

, Authors: Joel Schneider, Camila de Paula, Nathaniel Richey, Jon Baker, Solomon Oyakhire, Stacey Bent
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-h2p8b
 
Subject: Chemistry
,
Working Paper
, Title:

Sequence and structure conservation analysis of the key coronavirus proteins supports the feasibility of discovering broad-spectrum antiviral medications.

, Authors: Cleber Melo-Filho, Tesia Bobrowski, Holli-Joi Martin, Zoe Sessions, Konstantin Popov, Nathaniel Moorman, Ralph Baric, Eugene Muratov, Alexander Tropsha
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-zg88d
 
Subject: Chemistry
,
Working Paper
, Title:

Biosynthesis of the unusual carbon skeleton of nocuolin A

, Authors: Teresa Martins, Nathaniel Glasser, Duncan Kountz, Paulo Oliveira, Emily Balskus, Pedro Leão
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-jv5n7
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Bioelectrochemical Elucidation of Direct Electron Transfer-type Membrane-bound Fructose Dehydrogenase

, Authors: Yohei Suzuki, Fumiaki Makino, Tomoko Miyata, Hideaki Tanaka, Keiichi Namba, Kenji Kano, Keisei Sowa, Yuki Kitazumi, Osamu Shirai
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-d7hl9
 
Subject: Chemistry
,
Working Paper
, Title:

Pendent trifluoroethanol reveals solvation dependent mechanisms of electrocatalytic CO2 reduction by rhenium(I) bipyridine fac-tricarbonyl

, Authors: Bradley Brennon, Danh Ngo, Wesley Kramer
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-480fn
 
Subject: Chemistry
,
Working Paper
, Title:

Anaerobic defluorination of chlorine-substituted per- and polyfluorinated carboxylic acids triggered by microbial dechlorination

, Authors: Bosen Jin, Shun Che, Jinyu Gao, Yaochun Yu, Jinyong Liu, Yujie Men
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-44rx6
 
Subject: Chemistry
,
Working Paper
, Title:

Fabrication of Boehmite Nanofiber Aerogels by a Phosphate Gelation Process for Optical Applications

, Authors: Gen Hayase, Keita Yamazaki, Tetsuya Kodaira
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-vs1t1
 
Subject: Chemistry
,
Working Paper
, Title:

Transition-Metal-Like Catalysis with Tetraalkoxydibo-ron(4)/Isonicotinate Enabled an Efficient Broad-Scope [3+2] Cycloaddition of Cyclopropanes and Alkenes

, Authors: Zhengfei Ding, Zhi Liu, Zhijun Wang, Tao Yu, Ming Xu, Jingru Wen, Kaiyan Yang, Hailong Zhang, Liang Xu, Pengfei Li
Version undefined posted 14 March 2022
Posted
Mar 14, 2022
10.26434/chemrxiv-2022-bcs9h
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical approach for multiplexed biofunctionalisation of GaAs

, Authors: Bárbara Santos Gomes, Francesco Masia
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-mhz5t
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel difluoro and chlorofluoro ring-disubstituted isobutyl phenylcyanoacrylates

, Authors: Christopher D. Ahlers, Aisha A. Ahmed, Umamah Alam, Alima A. Sajwani, Megan V. Salloum, Makayla A. Schneider, Heysel M. Serra, Richard C. Tanawath, Gabriella L. Triolo, Marisol Velazquez, Sara Rocus, William Schjerven, Gregory Kharas
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-2ljhn
 
Subject: Chemistry
,
Working Paper
, Title:

Polyelectrolyte Complex-Covalent Interpenetrating Polymer Network Hydrogels

, Authors: Defu Li, Tobias Göckler, Ute Schepers, Samanvaya Srivastava
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-b73xh
 
Subject: Chemistry
,
Working Paper
, Title:

Guest-responsive thermal expansion in the Zr-porphyrin metal-organic framework PCN-222

, Authors: Hanna L. B. Boström, Sebastian Bette, Sebastian T. Emmerling, Maxwell W. Terban, Bettina V. Lotsch
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-tlpvt
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and structural properties of a 2D Zn(II) dodecahydroxy-closo-dodecaborate coordination polymer

, Authors: Austin Ready, Shona Becwar, Dahee Jung, Emily Schueller, Kierstyn Anderson, Rebecca Kubena, Ram Seshadri, Bradley Chmelka, Alexander Spokoyny
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-njzlw
 
Subject: Chemistry
,
Working Paper
, Title:

A General and Modular Access to Enantioenriched α Trifluoromethyl Ketones via Nickel-Catalyzed Reductive Cross-Coupling

, Authors: Liang-An Chen, Dengkai Lin, Yongzhi Chen, Zhan Dong, Pan Pei, Haiting Ji, Lanzhu Tai
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-ghw8h
 
Subject: Chemistry
,
Working Paper
, Title:

Red Orange and Bitter Orange IntegroPectin: Structure and Main Functional Compounds

, Authors: Antonino Scurria, Marzia Sciortino, Ana Rosa Garcia, Mario Pagliaro, Giuseppe Avellone, Alexandra Fodalgo, Lorenzo Albanese, Francesco Meneguzzo, Rosaria Ciriminna, Laura Ilharco
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-hwvcp
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Optimization of Lignin Properties in Green Biorefineries

, Authors: Joakim Löfgren, Dmitry Tarasov, Taru Koitto, Patrick Rinke, Mikhail Balakshin, Milica Todorović
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2021-6r888-v3
 
Subject: Chemistry
,
Working Paper
, Title:

H-atom Abstraction Reactivity through the Lens of Asynchronicity and Frustration with their Counter-Acting Effects on Barriers

, Authors: Mauricio Maldonado-Domínguez, Martin Srnec
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-k6l4p
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Au(I)/Au(III) Redox Catalysis Enabled by Rationally Designed Chiral (P,N)-Ligands

, Authors: Chetan C. Chintawar, Vivek W. Bhoyare, Manoj V. Mane, Nitin T. Patil
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-t6xn1
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Interference Controlled Spin-Polarized Electron Transmission in Graphene Nanoribbons

, Authors: Shahjad Ali, Ashima Bajaj, Md. Ehesan Ali
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-1wm97
 
Subject: Chemistry
,
Working Paper
, Title:

Post-Synthesis Boron Doping of Silicon Quantum Dots via Hydrosilsesquioxane-Capped Thermal Diffusion

, Authors: Sarah Milliken, I Teng Cheong, Kai Cui, Jonathan Veinot
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-38v1l
 
Subject: Chemistry
,
Working Paper
, Title:

Lithium-Ion Battery Degradation: Measuring Rapid Loss of Active Silicon in Silicon-Graphite Composite Electrodes

, Authors: Niall Kirkaldy, Mohammad Amin Samieian, Gregory J. Offer, Monica Marinescu, Yatish Patel
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-j2rnd
 
Subject: Chemistry
,
Working Paper
, Title:

Temperature Extrapolation of Molecular Dynamics Simulations of Complex Chemistry to Microsecond Timescales using Kinetic Models: Applications to Hydrocarbon Pyrolysis

, Authors: Vincent Dufour-Decieux, Brandi Ransom, Rodrigo Freitas, Jose Blanchet, Evan Reed
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-0m66l
 
Subject: Chemistry
,
Working Paper
, Title:

AI-based inverse design for electrochemically controlled microscopic gradients of O2 and H2O2

, Authors: Yi Chen, Jingyu Wang, Ben Hoar, Shengtao Lu, Xun Guan, Chong Liu
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-0kw6c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Standing Covalent Organic Framework Membranes for H2/CO2 Separation

, Authors: Qianrong Fang, Baoju Li, Zitao Wang, Zhuangzhuang Gao, Jinquan Suo, Ming Xue, Yushan Yan, Valentin Valtchev, Shilun Qiu
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-kxjz7
 
Subject: Chemistry
,
Working Paper
, Title:

Straightforward access to multifunctional pi-conjugated P-heterocycles

, Authors: Thomas Delouche, Elsa Caytan, Marie Cordier, Thierry Roisnel, Grégory Taupier, Yann Molard, Nicolas Vanthuyne, Boris Le Guennic, Muriel Hissler, Denis Jacquemin, Pierre-Antoine Bouit
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-69z8f
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic basis for the Iridium-Catalyzed Enantioselective Al-lylation of Alkenyl Boronates

, Authors: Colton Davis, Joseph Ready
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-k831h
 
Subject: Chemistry
,
Working Paper
, Title:

Autocatalytic Double sigma-Bond C(sp2)–N Transamination Metathesis Reaction

, Authors: Volker Klein, Florian Schuster, Svetlana Tsogoeva
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-m6k1v
 
Subject: Chemistry
,
Working Paper
, Title:

Determination of Optical Density (OD) of Oligodeoxynucleotide from HPLC Peak Area

, Authors: Komal Chillar, Yipeng Yin, Dhananjani Eriyagama, Shiyue Fang
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-hdqzr
 
Subject: Chemistry
,
Working Paper
, Title:

Triple-element stable isotope analysis of chloromethane emitted and degraded by royal fern and club moss

, Authors: S. Christoph Hartmann, Frank Keppler, Markus Greule, Rebekka Lauer, Axel Horst
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-kfrqn
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Pressure-Magnetic Modulation in a Tetrathiafulva-lene-Based Dyad Piezochromic Dysprosium Single-Molecule Magnet

, Authors: Fabrice Pointillart, Jessica Flores Gonzalez, Haiet Douib, Vincent Montigaud, Charles McMonagle, Boris Le Guennic, Olivier Cador, Dawid Pinkowicz, Michael Probert
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-sffw1
 
Subject: Chemistry
,
Working Paper
, Title:

Selective and Reversible Polysulfide-macrocycle Binding at Modified Membranes Suppress Shuttling in Lithium Sulfur Batteries

, Authors: Christopher Benson, Yi Cui, Wei Guo, Wei Zhao, Jonathan Karty, Likun Zhu, Yongzhu Fu, Amar Flood
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-4glgt
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Reference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation

, Authors: Bruno N. C. Tenorio, Torben Arne Voss, Sergey I. Bokarev, Piero Decleva, Sonia Coriani
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-cz4fr
 
Subject: Chemistry
,
Working Paper
, Title:

Proteomic Characterization of Phagocytic Primary Human Monocyte-Derived Macrophages

, Authors: Regan Volk, José Montaño, Sara Warrington, Katherine Hofmann, Balyn Zaro
Version undefined posted 15 March 2022
Posted
Mar 15, 2022
10.26434/chemrxiv-2022-3h74c
 
Subject: Chemistry
,
Review
, Title:

Spin-Flip TDDFT for Photochemistry

, Authors: John Herbert, Aniket Mandal
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-gj75d
 
Subject: Chemistry
,
Working Paper
, Title:

Weak Dewar bond modulates protonated azaindole photodynamics

, Authors: Ritam Mansour, Saikat Mukherjee, Max Pinheiro Jr, Jennifer A. Noble, Christophe Jouvet, Mario BARBATTI
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-nx4n1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Structure and Thermal Properties of Volatile Indium and Gallium Triazenides

, Authors: Nathan J. O'Brien, Rouzbeh Samii, Sydney Buttera, Vadim Kessler
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-x0lcf
 
Subject: Chemistry
,
Working Paper
, Title:

Bioisostere Effects on the EPSA of Common Permeability-Limiting Groups

, Authors: Andrew Ecker, Dorothy Levorse, Daniel Victor, Matthew Mitcheltree
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-0835v
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed Diversification of Phosphine Ligands by Formal Substitution at Phosphorus

, Authors: Sven Roediger, Sebastian Leutenegger, Bill Morandi
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-05nl8
 
Subject: Chemistry
,
Working Paper
, Title:

Silver-Catalyzed [4+3] Cycloaddition of 1,3-Dienes with Vinyl-N-triftosylhydrazones: A Practical Approach to 1,4-Cycloheptadienes

, Authors: Shaopeng Liu, Zhaohong Liu, Huricha Bai, Shuang Li, Zanoni Giuseppe, xihe bi
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-2bt1d
 
Subject: Mathematics
,
Working Paper
, Title:

Expressing e in Some New Different Ways and Developing the Sums of Infinitely Many Infinite Series

, Authors: Salman Mahmud
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.33774/coe-2022-rsxrk
 
Subject: Chemistry
,
Working Paper
, Title:

Towards a Mechanistic Model of Solid-Electrolyte Interphase Formation and Evolution in Lithium-ion Batteries

, Authors: Evan Walter Clark Spotte-Smith, Ronald L Kam, Daniel Barter, Xiaowei Xie, Tingzheng Hou, Shyam Dwaraknath, Samuel M Blau, Kristin Aslaug Persson
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-n236n-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the Nanostructure of the Stratum Corneum Lipid Matrix: A Combined Neutron Diffraction & Molecular Dynamics Simulations Approach

, Authors: Yogesh Badhe, Thomas Schmitt, Rakesh Gupta, Beena Rai, Reinhard H H Neubert
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-73wjn
 
Subject: Chemistry
,
Review
, Title:

Coordination/Metal–Organic Cages Inside Out

, Authors: Tomoki Tateishi, Masahiko Yoshimura, Shun Tokuda, Fuyuki Matsuda, Daishi Fujita, Shuhei Furukawa
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-h590n
 
Subject: Chemistry
,
Working Paper
, Title:

Design of a potent, selective and brain penetrant inhibitor of Wnt-deactivating enzyme Notum by optimization of a crystallographic fragment hit

, Authors: Nicky Willis, William Mahy, James Sipthorp, Yuguang Zhao, Hannah Woodward, Benjamin Atkinson, Elliott Bayle, Fredrik Svensson, Sarah Frew, Fiona Jeganathan, Amy Monaghan, Stefano Benvegnu, Sarah Jolly, Luca Vecchia, Reinis Ruza, Svend Kjaer, Steven Howell, Ambrosius Snidjers, Magda Bictash, Patricia Salinas, Jean-Paul Vincent, Yvonne Jones, Paul Whiting, Paul Fish
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-f05w8
 
Subject: Chemistry
,
Working Paper
, Title:

Redox Controlled Chalcogen Bonding for Switchable Anion Recognition and Sensing

, Authors: Robert Hein, Andrew Docker, Jason J. Davis, Paul D. Beer
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-lwrbb
 
Subject: Chemistry
,
Working Paper
, Title:

Chloro-silane vapor assisted in-plane delamination of liquid metal films for unconventional heterogeneous wettability

, Authors: Kazi Zihan Hossain, Momena Monwar, M. Rashed Khan
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-x0jml
 
Subject: Chemistry
,
Working Paper
, Title:

Directed evolution of a bright variant of mCherry: Suppression of non-radiative decay by fluorescence lifetime selections

, Authors: Srijit Mukherjee, Premashis Manna, Sheng-Ting Hung, Felix Vietmeyer, Pia Friis, Amy Palmer, Ralph Jimenez
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-v3t03
 
Subject: Chemistry
,
Working Paper
, Title:

Isothermal self-assembly of multicomponent and evolutive DNA nanostructures

, Authors: Caroline Rossi-Gendron, Farah El Fakih, Koyomi Nakazawa, Léa Chocron, Masayuki Endo, Hiroshi Sugiyama, Mathieu Morel, Sergii Rudiuk, Damien Baigl
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-12jqs
 
Subject: Chemistry
,
Working Paper
, Title:

An Environmentally Responsible and Cost-effective Synthesis of the Antimalarial Drug Pyronaridine

, Authors: Joseph R. A. Kincaid, Rahul D. Kavthe, Juan C. Caravez, Balaram S. Takale, Ruchita R. Thakore, Bruce H. Lipshutz
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-d3spd
 
Subject: Chemistry
,
Review
, Title:

Phytochemistry, Biological Activities, Therapeutic Potential, and Socio-economic Value of Caper (Capparis spinosa L.)

, Authors: Ayoub Kdimy, Meryem El Yadini, Abdelkarim Guaâdaoui, Ilhame Bourais, Souad El Hajjaji, Hoang Le
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-ph8qc
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Au–C σ-Bonds Leading to an Efficient Synthesis of [n]Cycloparaphenylenes (n = 9 – 15) by a Self-Assembly

, Authors: Yohei Tanji, Yusuke Yoshigoe, Shinichi Saito, Kohtaro Osakada, Eiichi Kayahara, Shigeru Yamago, Yoshitaka Tsuchido, Hidetoshi Kawai
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2021-v89w1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Technical Note: Rayleigh Scattering of Sulfur Hexafluoride at 1.066 Microns

, Authors: Manish Gupta, Michael Sullivan
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-78g87
 
Subject: Chemistry
,
Working Paper
, Title:

Electrosteric Stabilization of End-on Cupric Superoxide Complexes

, Authors: Alexander B. Weberg, Samuel P. McCollom, Neil C. Tomson
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-63pfg
 
Subject: Chemistry
,
Working Paper
, Title:

Second-Derivative-Based Background Drift Removal for Tonic Dopamine Measurement in Fast-Scan Cyclic Voltammetry

, Authors: Seongtak Kang, Jeongrak Park, Yunho Jeong, Yong-Seok Oh, Ji-Woong Choi
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-fthql
 
Subject: Chemistry
,
Working Paper
, Title:

Cost and performance targets for fully electrochemical ammonia production under flexible operation

, Authors: Nikifar Lazouski, Aditya Limaye, Abhishek Bose, Michal L Gala, Karthish Manthiram, Dharik Mallapragada
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-s60mx
 
Subject: Chemistry
,
Working Paper
, Title:

Noncovalently bound excited-state dimers: a perspective on current time-dependent Density Functional Theory approaches applied to aromatic excimer models

, Authors: Amy Hancock, Lars Goerigk
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-86pdc
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic lanthanides exchange between quadruple-stranded cages: effect of ionic radius differences on kinetics and thermodynamics

, Authors: Marzio Rancan, Maria Rando, Luigi Bosi, Alice Carlotto, Roberta Seraglia, Jacopo Tessarolo, Silvia Carlotto, Guido H. Clever, Lidia Armelao
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-x173q
 
Subject: Chemistry
,
Working Paper
, Title:

Universal control of protons concentration using electrochemically generated acid compatible with miniaturization

, Authors: Janwa EL MAISS, Divya BALAKRISHNAN, César Pascual García
Version undefined posted 16 March 2022
Posted
Mar 16, 2022
10.26434/chemrxiv-2022-z65fz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Optical Spectra of Plasmon--Exciton Core--Shell Nanoparticles: A Heuristic Quantum Approach

, Authors: Felix Stete, Wouter Koopman, Carsten Henkel, Oliver Benson, Günther Kewes, Matias Bargheer
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-r6qc2
 
Subject: Chemistry
,
Working Paper
, Title:

Antibodies directed against GalNAc- and GlcNAc-O-Tyrosine posttranslational modifications – a new tool for glycoproteomic detection

, Authors: Sandra Behren, Manuel Schorlemer, Gudula Schmidt, Klaus Aktories, Ulrika Westerlind
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-3sc2g
 
Subject: Chemistry
,
Working Paper
, Title:

State-specific solvation for restricted active space spin-flip (RAS-SF) wave functions based on the polarizable continuum formalism

, Authors: Bushra Alam, Hanjie Jiang, Paul Zimmerman, John Herbert
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-xkxc6
 
Subject: Chemistry
,
Working Paper
, Title:

Nonacethrene Unchained: A Cascade to Chiral Contorted Conjugated Hydrocarbon with Two sp3-Defects

, Authors: Daniel Čavlović, Daniel Häussinger, Olivier Blacque, Prince Ravat, Michal Juríček
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-p6kp9
 
Subject: Chemistry
,
Working Paper
, Title:

The Effect of Particle Size and Composition on the Optical and Electronic Properties of CdO and CdS Rocksalt Nanoparticles

, Authors: Martijn Zwijnenburg
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-q98mf
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-Light-Promoted Nickel-Catalyzed Cross-Coupling of Al-kyltitanium Alkoxides with Aryl and Alkenyl Halides

, Authors: Andrei Leushukou, Anastasiya Krech, Alaksiej Hurski
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-k808c
 
Subject: Chemistry
,
Working Paper
, Title:

Four-dimensional spacetime atomistic artificial intelligence models

, Authors: Fuchun Ge, Lina Zhang, Arif Ullah, Pavlo O. Dral
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-qf75v
 
Subject: Chemistry
,
Working Paper
, Title:

In-Situ Observation of the Structure of Crystallising Magnesium Sulfate Heptahydrate Solutions with Terahertz Transmission Spectroscopy

, Authors: Qi Li, Johanna Kölbel, Margaret P. Davis, Timothy M. Korter, Andrew D. Bond, Terrence L. Threlfall, J. Axel Zeitler
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-dgkf5
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic study of the mechanochemical PdII-catalyzed bromination of aromatic C–H bonds by experimental and computational methods

, Authors: Dajana Barišić, Ivan Halasz, Alen Bjelopetrović, Darko Babić, Manda Ćurić
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-fwdr1
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Structural Collapse During Activation of Metal–Organic Frameworks with Copper Paddlewheels

, Authors: Saad Aldin Mohamed, Yeongjin Kim, Junkee Lee, Wonyoung Choe, Jihan Kim
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-dnl9p
 
Subject: Chemistry
,
Working Paper
, Title:

Structure and Stability of 7-mercapto-4-methylcoumarin SAM on Gold: an Experimental and Computational analysis.

, Authors: Davide Marchi, Eleonora Cara, Federico Ferrarese Lupi, Philipp Hönicke, Yves Kayser, Burkhard Beckhoff, Micaela Castellino, Alberto Zoccante, Michele Laus, Maurizio Cossi
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-2vd87
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films

, Authors: Joe Willis, Ivona Bravic, Rekha R. Schnepf, Karen N. Heinselman, Bartomeu Monserrat, Thomas Unold, Andriy Zakutayev, David O. Scanlon, Andrea Crovetto
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-5ftvr
 
Subject: Chemistry
,
Working Paper
, Title:

Alleviation of Cocaine Withdrawal and Pertinent Interactions between Salvinorin-based Antagonists and Kappa Opioid Receptor

, Authors: Nicholas Akins, Salahuddin Mohammed, Pankaj Pandey, Seong Jong Kim, Fakhri Mahdi, Md Imdadul Khan, Emaya Moss, Charlie Worth, Madeline Keane, Amar Chittiboyina, Robert Doerksen, Jason Paris, Hoang Le
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-dpn5j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Spontaneous and Ion-Specific Formation of Inverted Bilayers at Air/Aqueous Interface

, Authors: Srikanth Nayak, Raju R Kumal, Ahmet Uysal
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2021-pzxn9-v3
 
Subject: Chemistry
,
Review
, Title:

A Brief Review of Density Functional Theory and Solvation Model

, Authors: Anoop Kumar Kushwaha
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-vlhm0
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Azo-Stilbene and Pyridine-Amine Hybrid Multifunctional Molecules to Target Metal Mediated Neurotoxicity and Amyloid-β Aggregation in Alzheimer’s disease

, Authors: Monika Rana, Hong-Jun Cho, Hemant Arya, Tarun Bhatt, Kishalay Bhar, Surabhi Bhatt, Liviu Mirica, Anuj Sharma
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-454ht
 
Subject: Chemistry
,
Working Paper
, Title:

Sharing is Caring: Guidelines for Sharing in the Electronic Laboratory Notebook (ELN) Chemotion as applied by a Synthesis-oriented Working Group

, Authors: Fabian Fink, Henrika Hüppe, Nicole Jung, Alexander Hoffmann, Sonja Herres-Pawlis
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-t4p5n
 
Subject: Chemistry
,
Working Paper
, Title:

1’-cyano substitution of Remdesivir “template-dependent” inhibiting the transcription of SARS-CoV-2

, Authors: Xueying Luo, Xiaowei Wang, Xin Gao, Lu Zhang
Version undefined posted 17 March 2022
Posted
Mar 17, 2022
10.26434/chemrxiv-2022-25cs3
 
Subject: Life Sciences
,
Presentation
, Title:

Imaging Tumour Metabolism - From Mouse to Man

, Authors: Kevin Brindle
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.33774/coe-2022-j6vt3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel ring-substituted isobutyl phenylcyanoacrylates

, Authors: Alessandra Cimino, Amaan M. Azeemullah, Danielle E. Comp, Sydney C. Hunt, Madison M. Janakis, Sonia S. Khan, Patryk Labedz, Christopher Lee, Monique L.P. Lotto, Yasmeen Lowe, Raza Malik, Raisa A. Munshi, Udita Persaud, Saikrupa Rajaramsiva, Maximillian A. Ramirez, Claire P. Rossi, Sara M. Rocus, William Schjerven, Gregory Kharas
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-jvh37
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Reaction Spectrum: A Holographic Image for Characterizing Multi-component Chemical Mixtures

, Authors: Qiannan Duan, Jiayuan Chen, Jianchao Lee*, Sifan Bi, Run Luo, Fenli Liu, Yunjin Feng
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-b4c3v
 
Subject: Chemistry
,
Working Paper
, Title:

Heat-Assisted Digital Light Processing of Bioactive Tough PEG Hydrogels with Complex 3D Structure

, Authors: Safira Noor Anindita, Riccardo Conti, Doris Zauchner, Nevena Paunović, Wanwan Qiu, Marina Green Buzhor, Zhi Luo, Ralph Müller, Hansjörg Grützmacher, Xiao-Hua Qin, Jean-Christophe Leroux, Yinyin Bao
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-tklpl
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-free Catalytic Hydrogenolysis of Silyl Triflates and Halides into Hydrosilanes

, Authors: Gabriel Durin, Albane Fontaine, Jean-Claude Berthet, Emmanuel Nicolas, Pierre Thuéry, Thibault Cantat
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-lsg9d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N-heterocycles

, Authors: Bónis Barcza, Ádám B. Szirmai, Katalin J. Szántó, Attila Tajti, Péter G. Szalay
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2021-gv8xk-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Part-per-trillion trace selective gas detection using frequency locked whispering gallery mode microtoroids

, Authors: Cheng Li, Trevor Lohrey, Phuong-Diem Nguyen, Zhouyang Min, Yisha Tang, Chang Ge, Zachary Sercel, Euan McLeod, Brian Stoltz, Judith Su
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-606xv
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical approach towards multi-functionalized 1,2,3-triazoles and anti-seizure drug Rufinamide analogs using copper beads

, Authors: Dhananjay Bhattacherjee, Igor S. Kovalev, Dmitry S. Kopchuk, Matiur Rahman, Sougata Santra, Grigory V. Zyryanov, Pralay Das, Rituraj Purohit, Vladimir L. Rusinov, Oleg N. Chupakhin
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-50c3j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

How Reproducible are QM/MM Simulations? Lessons from Computational Studies of the Covalent Inhibition of the SARS-CoV-2 Main Protease by Carmofur

, Authors: Goran Giudetti, Igor Polyakov, Bella L. Grigorenko, Shirin Faraji, Alexander V. Nemukhin, Anna I. Krylov
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-4mmdc
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of 2-BMIDA indoles via heteroannulation: Applications in drug scaffold and natural product synthesis

, Authors: George Bell, James Fyfe, Eva Israel, Alexandra Slawin, Matthew Campbell, Allan Watson
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-1279d
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrophobic signature on TiO2 nanoparticles in liquid water

, Authors: Lorenzo Agosta, Przemyslaw Rzepka, Jianhong Chen, Adam Slabon, Alisa Gordeeva, Alexander Lyubartsev, Kersti Hermansson, Aleksander Jaworski
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-5jhs5
 
Subject: Mathematics
,
Working Paper
, Title:

Spatial data interpolation

, Authors: Afonso Paiva, Dinalva Sales, Eder Brito, Glauco Gonçalves, Marcos Jardel Henriques, Oilson Alberto Gonzatto Junior, Samuel Silva, Saulo Mastelini, Thales Vieira, Vera Tomazella
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.33774/miir-2022-18js5
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of Iron-Based Metal-Organic Framework Activation Temperature in Acetylene Adsorption

, Authors: Gregory S. Day, Gerard T. Rowe, Carlos Ybanez, Ray O. Ozdemir, Jason Ornstein
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-nh93n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

BQ-AurIPr: A Redox-Active Anticancer Au(I) Complex that Induces Immunogenic Cell Death in Non-Small Cell Lung Cancer

, Authors: Ravindra D. Mule, Akhilesh Kumar, Shashank P. Sancheti, B. Senthilkumar, Himanshu Kumar, Nitin T. Patil
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-m3xxx
 
Subject: Chemistry
,
Review
, Title:

Radical Advances in C(sp3)−H Functionalization: Foundations for C–H Cross-Coupling

, Authors: Dung Golden, Sung-Eun Suh, Shannon Stahl
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-wb4xn
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and target annotation of GB18

, Authors: Stone Woo, Ryan Shenvi
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-cs8v5
 
Subject: Chemistry
,
Working Paper
, Title:

Bench-Stable Dinuclear Mn(I) Catalysts in E-selective Alkyne Semihydrogenation: A Mechanistic Investigation

, Authors: Preshit Abhyankar, Samantha MacMillan, David Lacy
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-85p09
 
Subject: Chemistry
,
Working Paper
, Title:

Remote B-Ring Oxidation of Sclareol with an Engineered P450 Facilitates Divergent Access to Complex Terpenoids

, Authors: Fuzhuo Li, Heping Deng, Hans Renata
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-prds8
 
Subject: Chemistry
,
Working Paper
, Title:

Directed, Nickel-Catalyzed 1,2-Alkylsulfenylation of Alkenyl Carbonyl Compounds

, Authors: Zi-Qi Li, Wen-Ji He, Hui-Qi Ni, Keary Engle
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-89l57
 
Subject: Chemistry
,
Working Paper
, Title:

Lipids and Small Molecules Affect α-synuclein Association and Disruption of Nanodiscs

, Authors: Henry Sanders, Marius Kostelic, Ciara Zak, Michael Marty
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-1gcs5
 
Subject: Chemistry
,
Working Paper
, Title:

Ir-Catalyzed Asymmetric Allylic Alkylation of Dialkyl Malo-nates Enabling the Construction of Enantioenriched All-Carbon Quaternary Centers

, Authors: Farbod Moghadam, Elliot Hicks, Zachary Sercel, Alexander Cusumano, Michael Bartberger, Brian Stoltz
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-n4bsw
 
Subject: Chemistry
,
Working Paper
, Title:

Inter and Intramolecular Radical Additions of Aryl Halides Catalyzed by Diazaphospholenes

, Authors: Robert Riley, Blake Huchenski, Karlee Bamford, Alex Speed
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-4knjf
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Reaction Network Knowledge Graphs: the OntoRXN Ontology

, Authors: Diego Garay-Ruiz, Carles Bo
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-3sqwp
 
Subject: Chemistry
,
Working Paper
, Title:

Improved Electrocatalytic Selectivity and Activity for Ammonia Synthesis on Diporphyrin Catalysts

, Authors: Hao Wan, Alexander bagger, Jan Rossmeisl
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-7958l
 
Subject: Chemistry
,
Working Paper
, Title:

Single polymer sorbent fibers for high performance and rapid direct air capture

, Authors: Ali Sekizkardes, Victor Kusuma, Jeffrey Culp, Patrick Muldoon, James Hoffman, David Hopkinson
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-jgpqv
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient and accurate description of Diels-Alder reactions using density functional theory

, Authors: Daniele Loco, Isabelle Chataigner, Jean-Philip Piquemal, Riccardo Spezia
Version undefined posted 18 March 2022
Posted
Mar 18, 2022
10.26434/chemrxiv-2022-6kpmj
 
Subject: Chemistry
,
Working Paper
, Title:

Sterically Invariant Carborane-Based Ligands for the Morphological and Electronic Control of Metal-Organic Chalcogenolate Assemblies

, Authors: Harrison Mills, Christopher Jones, Kierstyn Anderson, Austin Ready, Peter Djurovich, Saeed Khan, J. Nathan Hohman, Hosea Nelson, Alexander Spokoyny
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-twzjw
 
Subject: Chemistry
,
Working Paper
, Title:

Unexpected Emission of Poly[(methylenelactide)-co-(2-vinylpyridine)] from Single-chain Luminogen

, Authors: Xinyu Li, Mengmeng Xu, Rongchun Zhang, Youqing Yu, Yuanyuan Pei, Qianqian Yu, Kunkun Liu, Yiliu Liu, Linge Wang, Tao Wen
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-d8bfz
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Bonding Analysis with Crystal Orbital Hamilton Populations

, Authors: Janine George, Guido Petretto, Aakash Naik, Marco Esters, Adam J. Jackson, Ryky Nelson, Richard Dronskowski, Gian-Marco Rignanese, Geoffroy Hautier
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-2v424
 
Subject: Chemistry
,
Working Paper
, Title:

Calcium Ions Enable Noncovalent Dimers of Phosphopeptides to Form Self-Oriented Filaments

, Authors: Jiaqi Guo, Chen Liu, Yimeng Huang, Weiyi Tan, Hongjian He, Meihui Yi, Xixiang Zhang, Bing Xu
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-6fkph
 
Subject: Chemistry
,
Working Paper
, Title:

Diversifying Amino Acids and Peptides via Deaminative Reductive Cross-Couplings Leveraging High-Throughput Experimentation

, Authors: J. Cameron Twitty, Yun Hong, Bria Garcia, Stephanie Tsang, Jennie Liao, Danielle Schultz, Amelie Dion, Dipannita Kalyani, Mary Watson
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-k3j3f
 
Subject: Chemistry
,
Working Paper
, Title:

Manganese-Porphyrin-Catalyzed C-H Fluorination: Hydrocarbons, But Not Drugs?

, Authors: Vyshnavi Vennelakanti, Usa Reilly, Anton Sinitskiy
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-2vtzg
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering Distinct Overpotential Dependent Pathways for Electrochemical CO2 Reduction Catalyzed by an Iron-Terpyridine Complex

, Authors: Matthias Loipersberger, Jeffrey Derrick, Christopher Chang, Martin Head-Gordon
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-8w187
 
Subject: Chemistry
,
Working Paper
, Title:

Ab initio random structure searching and catalytic properties of copper-based nanocluster with Earth-abundant metals for the electrocatalytic CO2-to-CO conversion

, Authors: Azeem Ghulam Nabi, Aman ur Rehman, Akhtar Hussain, Devis Di Tommaso
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-q9ffh
 
Subject: Chemistry
,
Working Paper
, Title:

Templating Bicarbonate in the Second Coordination Sphere Enhances Electrochemical CO2 Reduction Catalyzed by Iron Porphyrins

, Authors: Jeffrey Derrick, Matthias Loipersberger, Sepand Nistanaki, Martin Head-Gordon, Eva Nichols, Christopher Chang
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-6ctz6
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Architectures on Expanded Heterohelicenes

, Authors: Pirudhan Karak, Joyanta Choudhury
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-tt41m
 
Subject: Chemistry
,
Working Paper
, Title:

Site-Selective Hydrogenation of Electron-Poor Alkenes and Dienes Enabled by a Rh-Catalyzed Hydride Addition/Protonolysis Mechanism

, Authors: Duanyang Kong, Qiqige Qiqige, Wesley McNutt, Rocco Paciello, Ansgar Schäfer, Mathias Schelwies, Rylan Lundgren
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-5hdtp
 
Subject: Chemistry
,
Working Paper
, Title:

A Generalized Machine Learning Model for Predicting Ionic Conductivity for Ionic Liquids

, Authors: Pratik Dhakal, Jindal Shah
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-nzrr3
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of (–)-Voacinol and (–)-Voacandimine C

, Authors: Kristen Flynn, In-Soo Myeong, Taylor Pinto, Mohammad Movassaghi
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-l5f5h
 
Subject: Chemistry
,
Working Paper
, Title:

Atroposelective arene-forming alkene metathesis

, Authors: Zlatko Jončev, Christof Sparr
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-w8h26
 
Subject: Chemistry
,
Working Paper
, Title:

An approach to the proposal of drug combination for cancer therapy using a pathway data connectivity approach

, Authors: Ryan Miller, Sebastian Muraru, Ana Belén Malpartida, Josh Low, Mariana Pelicano de Almeida, Bo van Engelen, Elizabeth Godynyuk, Bárbara Schmitz-Abecassis, Egon Willighagen, Chris Evelo, Linda Rieswijk
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-0n8fp
 
Subject: Chemistry
,
Working Paper
, Title:

A Potential Antibacterial Wound Dressing Based on Cerium Crosslinked Alginate and Carboxymethyl Cellulose

, Authors: Seyedeh Golnar Abtahi, Burcu Orhan, Cansu Vatansever, Hakan Kaygusuz
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-b3cs0
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Defects to Achieve Reproducibly High Ionic Conductivity in Na3SbS4 Solid Electrolyte

, Authors: Masaki Shimoda, Mayu Maegawa, Suguru Yoshida, Hirofumi Akamatsu, Katsuro Hayashi, Prashun Gorai, Saneyuki Ohno
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-91036
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular Modification of a Metal-Organic Framework Increases Flexibility and Switchability: Experimental Insights into Structural Deformation of ZIF-8

, Authors: Al Tiba, Jason Perman, Leonard MacGillivray, Alexei Tivanski
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-1rqhk
 
Subject: Chemistry
,
Working Paper
, Title:

Cyanine Phototruncation Enables Cell Labeling with Spatiotemporal Control

, Authors: Hiroshi Fukushima, Siddharth Matikonda, Syed Usama, Aki Furusawa, Takuya Kato, Lenka Štacková, Petr Klan, Hisataka Kobayashi, Martin Schnermann
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-dq8ql
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Surface Strain Effects on Adsorption Energy with Graph Neural Networks

, Authors: Christopher Price, Akash Singh, Nathan Frey, Vivek Shenoy
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-kqnpk
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneously Tuning the Conductance of Multiple Embedded Circuits in Bis-Terpyridine-Based Single Molecule Breadboard Junctions

, Authors: Ravinder Kumar, Charu Seth, Veerabhadrarao Kaliginedi, Ravindra Venkatramani
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-gqtr6
 
Subject: Chemistry
,
Working Paper
, Title:

Cu-Catalyzed Cyclization/Coupling of Alkenyl Aldimines. Indolization of Aldehydes, Anilines and Arylzinc Reagents

, Authors: Rishi R. Sapkota, Raj K. Tak, Vivek Aryal, Doleshwar Niroula, Nicholas C. Secosky, Roshan K. Dhungana, Ramesh Giri
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-d6qn6
 
Subject: Chemistry
,
Working Paper
, Title:

Bidirectional Graphormer for Reactivity Understanding: neural network trained to reaction atom-to-atom mapping task

, Authors: Ramil Nugmanov, Natalia Dyubankova, Andrey Gedich, Joerg Kurt Wegner
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-bn5nt
 
Subject: Chemistry
,
Review
, Title:

Radical Deoxyfunctionalisation Strategies

, Authors: Khadijah Anwar, Kay Merkens, Francisco José Aguilar Troyano, Adrián Gómez-Suárez
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-w73zr
 
Subject: Chemistry
,
Working Paper
, Title:

A polymer-based chemical tongue for the non-invasive monitoring of osteogenic stem-cell differentiation by pattern recognition of serum-supplemented spent media

, Authors: Shunsuke Tomita, Sayaka Ishihara, Ryoji Kurita
Version undefined posted 21 March 2022
Posted
Mar 21, 2022
10.26434/chemrxiv-2022-fpm9s
 
Subject: Chemistry
,
Working Paper
, Title:

Non-Hermitian Cavity Quantum Electrodynamics - Configuration Interaction Singles Approach for Polaritonic Structure with ab initio Molecular Hamiltonians

, Authors: Jonathan McTague, Jonathan Foley
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2021-0gpz8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Super-resolved 3D mapping of molecular orientation with vibrational techniques

, Authors: Paulina Koziol, Karolina Kosowska, Danuta Liberda, Ferenc Borondics, Tomasz Wrobel
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2021-1hd81-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel methoxy and halogen ring-trisubstituted isobutyl phenylcyanoacrylates

, Authors: Zachary J. Compton, Carlos J. Medina, Zohaib Z. Satti, Geena S. Scariah, Victoria L. Patrone, Claire E. Polar, Stephany Valladares, Emma K. Weiland, Sara M Rocus, William Schjerven, Gregory B. Kharas
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-7gvdx
 
Subject: Chemistry
,
Working Paper
, Title:

A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions

, Authors: Selin Bac, Stephen Jon Quiton, Kareesa J. Kron, Jeongmin Chae, Urbashi Mitra, Shaama Mallikarjun Sharada
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-nqjnf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Composition of Oxygen Functional Groups on Graphite Surfaces

, Authors: Nadia Intan, Jim Pfaendtner
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2021-5gv6w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On the Role of Solvent in the Formation of Vacancies on Ibuprofen Crystal Facets

, Authors: Veselina Marinova, Geoffrey P. F. Wood, Ivan Marziano, Matteo Salvalaglio
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2021-01dfq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

EPR, time, irreversibility and causality

, Authors: Umberto Lucia, Giulia Grisolia
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2021-fhp13-v3
 
Subject: Chemistry
,
Working Paper
, Title:

The Synthetic Potential of Thiophenium Ylide Cycloadducts

, Authors: Alice Pommainville, Dominic Campeau, Fabien Gagosz
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-61krg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

QM/MM Simulations Reveal the Determinants of Carbapenemase Activity in Class A β-lactamases

, Authors: Ewa Chudyk, Michael Beer, Michael A.L. Limb, Charlotte A. Jones, James Spencer, Mark W. van der Kamp, Adrian Mulholland
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-4jdc5
 
Subject: Chemistry
,
Working Paper
, Title:

Multiple electron transfer pathways of tungsten-containing formate dehydrogenase in direct electron transfer-type bioelectrocatalysis

, Authors: Tatsushi Yoshikawa, Fumiaki Makino, Tomoko Miyata, Yohei Suzuki, Hideaki Tanaka, Keiichi Namba, Kenji Kano, Keisei Sowa, Yuki Kitazumi, Osamu Shirai
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-k1zrp
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis and differentiation of tobacco-derived and synthetic nicotine products: Addressing an urgent regulatory issue

, Authors: Andrew Cheetham, Susan Plunkett, Preston Campbell, Jacob Hilldrup, Bonnie Coffa, Stan Gilliland, Steve Eckard
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-4g4bt
 
Subject: Chemistry
,
Working Paper
, Title:

Basic Promotors Impact Thermodynamics and Catalyst Speciation in Homogeneous Carbonyl Hydrogenation

, Authors: Wenjun Yang, Tejas Y. Kalavalapalli, Annika M. Krieger, Taras A. Khvorost, Ivan Yu. Chernyshov, Manuela Weber, Evgeny A. Uslamin, Evgeny A. Pidko, Georgy Filonenko
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2021-7k0m3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Solution [2 + 2] photopolymerization of biomass-derived nonrigid monomers enabled by energy transfer catalysis

, Authors: Yu Jiang, Qiang Ma, Xun Zhang, Junfang Li, Saihu Liao
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-8r3bv
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced generation of the active chloride-phosphate anionophore from its inactive proanionophore

, Authors: Oindrila Biswas, Priyanka Mazumder, Avigyan Naskar, Soumya Srimayee, Sachin Kumar, Niladri Patra, Debasis Manna
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-r7jj8
 
Subject: Chemistry
,
Working Paper
, Title:

The Continuum Between Hexagonal Planar and Trigonal Planar Geometries

, Authors: Martí Garçon, Andreas Phanopoulos, George Sackman, Chris Richardson, Andrew white, Richard Cooper, Alison Edwards, Mark Crimmin
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-t4wz6-v2
 
Subject: Chemistry
,
Review
, Title:

Emerging Era of Biomolecular Membrane Simulations: Automated Physically-Justified Force Field Development and Quality-Evaluated Databanks

, Authors: Hanne S. Antila, Batuhan Kav, Markus S. Miettinen, Hector Martinez-Seara, Pavel Jungwirth, O. H. Samuli Ollila
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-x4z6k
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogermylation initiated by trialkylborohydrides: a living anionic mechanism

, Authors: Maciej Zaranek, Mateusz Nowicki, Piotr Andruszak, Marcin Hoffmann, Piotr Pawluć
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-1xgxw
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Reduction of Aqueous Nitrate to Ammonia with an Electropolymerized Chromium Molecular Catalyst

, Authors: Charles McCrory, Jeremy Kallick
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-gwdtm
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of refinement and production technology on the molecular composition of edible cottonseed oils from a large industrial scale production

, Authors: Bekzod Khakimov, Yongxin Ye, Jaloliddin Khushvakov, Akmal Boboev, Rano Akramova, Obidjon Yunusov, Dilbar Dalimova, Shahlo Turdikulova, Sharafitdin Mirzaakhmedov, Søren Engelsen
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-x85xg
 
Subject: Chemistry
,
Working Paper
, Title:

Installation of cysteine-derived methyllysine mimics on phage-dis- played peptide libraries: optimization of reaction conditions for conversion and phage viability

, Authors: Natalia Milosevich, Katrina H. Vizely, Roko P.A. Nikolic, Jacob F. McCallum, Lee M. Treanor, Sarah S. Khan, Ratmir Derda, Fraser Hof
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-1lkkx
 
Subject: Chemistry
,
Working Paper
, Title:

Role of Electronic Passivation in Stabilizing Solid Electrolyte Interphases

, Authors: Yuheng Li, Pieremanuele Canepa, Prashun Gorai
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-lq7jn
 
Subject: Chemistry
,
Working Paper
, Title:

Solving Inorganic Crystal Structures from X-ray Powder Diffraction Using a Generative First-Principles Framework

, Authors: Handong Ling, Linda Hung, Joseph Montoya, Muratahan Aykol
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-g7ns2
 
Subject: Chemistry
,
Working Paper
, Title:

Swelling and residual bond orientations of polymer model gels: the entanglement-free limit

, Authors: Michael Lang, Reinhard Scholz, Lucas Löser, Carolin Bunk, Nora Fribiczer, Sebastian Seiffert, Frank Böhme, Kay Saalwächter
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-j6x1w
 
Subject: Chemistry
,
Working Paper
, Title:

Water as monomer: Synthesis of an aliphatic polyethersulfone from divinyl sulfone and water

, Authors: Karin Ratzenböck, Mir Mehraj Ud Din, Susanne M. Fischer, Ema Žagar, David Pahovnik, A. Daniel Boese, Daniel Rettenwander, Christian Slugovc
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-gqqg6
 
Subject: Chemistry
,
Working Paper
, Title:

Anionically-functionalized glycogen encapsulates melittin by multivalent interactions

, Authors: Hanna Zhukouskaya, Pablo Blanco, Zulfiya Černochová, Lucie Čtveráčková, Roman Staňo, Ewa Pavlova, Miroslav Vetrík, Peter Černoch, Marcela Filipová, Miroslav Štěpánek, Martin Hurbý, Peter Košovan, Jiří Pánek
Version undefined posted 22 March 2022
Posted
Mar 22, 2022
10.26434/chemrxiv-2022-gtpzw
 
Subject: Chemistry
,
Review
, Title:

Polyphenolic Promiscuity, Inflammation-coupled Specificity: Whether PAINs Filters Mask an Antiviral Asset

, Authors: Rick Sheridan, Kevin Spelman
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-qvd9n
 
Subject: Chemistry
,
Working Paper
, Title:

An International Study Evaluating Elemental Analysis

, Authors: Jason Dutton, Rupert Kuveke, Lachlan Barwise, Yara van Ingen, Nicholas Roberts, Kanika Vashisth, Saurabh Chitnis, Caleb Martin, Rebecca Melen
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-k5xvx
 
Subject: Chemistry
,
Working Paper
, Title:

Stack pressure dependence on the three-dimensional structure of a composite electrode in an all-solid-state battery

, Authors: Yuya Sakka, Hisao Yamashige, Akihisa Takeuchi, Masayuki Uesugi, Kentaro Uesugi, Yuki Orikasa
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-r2lmd
 
Subject: Chemistry
,
Working Paper
, Title:

Terpene Cyclase Mimicking Chlorine-Induced Polyene Cyclizations

, Authors: Julia Binder, Tanja Gulder
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-7880k
 
Subject: Chemistry
,
Working Paper
, Title:

The chemistry of Cu3N and Cu3PdN nanocrystals

, Authors: Mahsa Parvizian, Alejandra Duran Balsa, Rohan Pokratath, Curran Kalha, Seungho Lee, Dietger Van den Eynden, Maria Ibanez, Anna Regoutz, Jonathan De Roo
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-2tjc0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A catalytic alkene insertion approach to bicyclo[2.1.1]hexane bioisosteres

, Authors: Soumitra Agasti, Frederic Beltran, Emma Pye, Nikolas Kaltsoyannis, Giacomo Crisenza, David Procter
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-v93kv
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Tubulin Self-Association on GTP Hydrolysis and Nucleotide Exchange Reactions

, Authors: Asaf Shemesh Sadeh, Raviv Dharan, Hiba Ghareeb, Norman Metanis, Israel Ringel, Uri Raviv
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2021-71g6t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 β-lactamase

, Authors: Viivi Hirvonen, Tal Moshe Weizmann, Adrian Mulholland, James Spencer, Marc van der Kamp
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2021-bv7tb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Path to Actinorhodin: Regio- and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail

, Authors: Stefano Artin Serapian, John Crosby, Matthew P. Crump, Marc W. van der Kamp
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2021-wdlmj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Utilization of Carbon Monoxide as a fuel: A greener approach for heat recuperation

, Authors: Deep Patel
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-4q36k
 
Subject: Chemistry
,
Working Paper
, Title:

Inverse Designed Plasmonic Metasurface with ppb Optical Hydrogen Detection

, Authors: Ferry Anggoro Ardy Nugroho, Ping Bai, Iwan Darmadi, Gabriel W. Castellanos, Joachim Fritzsche, Christoph Langhammer, Jaime Gómez Rivas, Andrea Baldi
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-9vhsm
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel ring-substituted isobutyl phenylcyanoacrylates

, Authors: Samer A. Abuelroos, Katherine A. Czech, Divya V. Francis, Adriana M. Fricano, Mariana Gaona, Jason T. Huene, Jawairia A. Nagani, Cristina M. Pecoraro, Dayessi L. Rivero, Sydney A. Stone, Marissa R. Udine, Sara M. Rocus, William S. Schjerven, Gregory B. Kharas
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-d9g9s
 
Subject: Chemistry
,
Working Paper
, Title:

Towards High Temperature Light-Induced Spin State Trapping in Spin Crossover materials: the Interplay of Collective and Molecular Effects

, Authors: Muhammad Nadeem, Jace Cruddas, Gian Ruzzi, Ben Powell
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-c5mkv
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of the sex pheromone of the pink grass worm, Tmetolophota atristriga, reveals two different taxa

, Authors: Ashraf El-Sayed, Lee-Anne Manning
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-ct5lb
 
Subject: Chemistry
,
Working Paper
, Title:

Updates to the Inverted Library Search Algorithm for Mixture Analysis

, Authors: Arun Moorthy, Stephen Tennyson, Edward Sisco
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-s00sl
 
Subject: Chemistry
,
Working Paper
, Title:

Cytochrome c as a distinct modulator of amyloid-beta amyloidogenesis in a peroxide-dependent manner

, Authors: Zhi Du, Eunju Nam, Yuxi Lin, Mannkyu Hong, Tamás Molnár, Ikufumi Kondo, Koichiro Ishimori, Mu-Hyun Baik, Young-Ho Lee, Mi Hee Lim
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-3h55t
 
Subject: Chemistry
,
Working Paper
, Title:

Local Order in AgAuCuPdPt High Entropy Alloy Surfaces

, Authors: Henrik Kristoffersen, Jan Rossmeisl
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-b3jqz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Precision Glycodendrimers for DC-SIGN Targeting

, Authors: Giulio Goti, Cinzia Colombo, Silvia Achilli, Corinne Vivès, Michel Thépaut, Joanna Luczkowiak, Nuria Labiod, Rafael Delgado, Franck Fieschi, Anna Bernardi
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-hkx4w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Bioactive photocrosslinkable resin solely based on refined decellularized small intestinal submucosa for digital light processing 3D printing of in vitro tissue mimics

, Authors: Laura Elomaa, Lorenz Gerbeth, Ahed Almalla, Nora Fribiczer, Peter Tang, Karl Hillebrandt, Igor Sauer, Sebastian Seiffert, Britta Siegmund, Marie Weinhart
Version undefined posted 23 March 2022
Posted
Mar 23, 2022
10.26434/chemrxiv-2022-f2hpc
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Tether Length and Flexibility on the Efficiency of Analyte Capture by Tethered Receptors

, Authors: Matteo Beggiato, Christine Dupont-Gillain, Sivashankar Krishnamoorthy
Version undefined posted 24 March 2022
Posted
Mar 24, 2022
10.26434/chemrxiv-2022-mw5gb
 
Subject: Chemistry
,
Review
, Title:

Designing synthetic communities with organism-free modular computational models

, Authors: Anna Matuszyńska, Oliver Ebenhöh, Matias D. Zurbriggen, Daniel C. Ducat, Ilka M. Axmann
Version undefined posted 24 March 2022
Posted
Mar 24, 2022
10.26434/chemrxiv-2022-r78kg
 
Subject: Chemistry
,
Review
, Title:

Trends in Research and Development for CO2 Capture and Sequestration

, Authors: Xiang Yu, Carmen Otilia Catanescu, Robert Bird, Sriram Satagopan, Zachary J. Baum, Qiongqiong Angela Zhou
Version undefined posted 24 March 2022
Posted
Mar 24, 2022
10.26434/chemrxiv-2022-j39b0
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Sonification for Molecule to Music Information Transfer

, Authors: Babak Mahjour, Jordan Bench, Rui Zhang, Jared Frazier, TIMOTHY CERNAK
Version undefined posted 24 March 2022
Posted
Mar 24, 2022
10.26434/chemrxiv-2022-g7xkl
 
Subject: Chemistry
,
Review
, Title:

Reaction Dynamics within a Cluster Environment

, Authors: Marc Briant, Jean-Michel Mestdagh, Marc-André Gaveau, Lionel Poisson
Version undefined posted 24 March 2022
Posted
Mar 24, 2022
10.26434/chemrxiv-2022-b31dx
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Active Platinum Single-Atom Catalyst grafted onto 3D Carbon Cloth Support for the Electrocatalytic Hydrogen Evolution Reaction

, Authors: Po-Wei Yu, Sait Elmas, Tanglaw Roman, Xun Pan, Yanting Yin, Christopher T. Gibson, Gunther G. Andersson, Mats R. Andersson
Version undefined posted 24 March 2022
Posted
Mar 24, 2022
10.26434/chemrxiv-2021-dgb6l-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Separation of disaccharide epimers, anomers and connectivity isomers by high resolution differential ion mobility mass spectrometry

, Authors: Jordan Mastellone, K M Mohibul Kabir, Xiaojing Huang, William Donald
Version undefined posted 24 March 2022
Posted
Mar 24, 2022
10.26434/chemrxiv-2021-zjst9-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical and Experimental Investigations of Shape Memory Characteristics of Miscible Rubber-Wax Blends

, Authors: Surbhi Khewle, Priyanka Nemani, Nikhil Sharma, Pratyush Dayal
Version undefined posted 24 March 2022
Posted
Mar 24, 2022
10.26434/chemrxiv-2022-xwrc7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The missing intermediate in the catalytic cycle of [FeFe]-hydrogenases: Diiron site reduced state featuring a bridging CO ligand observed at room temperature

, Authors: Moritz Senger, Holly Redman, Marco Lorenzi, Gustav Berggren
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-wmn75
 
Subject: Chemistry
,
Working Paper
, Title:

Surface Modified Nano-Electrospray Needles Improve Sensitivity for Native Mass Spectrometry

, Authors: Marius Kostelic, Chih-Chieh Hsieh, Ciara Zak, Jack Ryan, Erin Baker, Craig Aspinwall, Michael Marty
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-5jwkz
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of novel bromo, chloro, and fluoro ring-substituted isobutyl phenylcyanoacrylates

, Authors: Gabrielle Escalante, Victoria Escalante, Amanda A. Hartoun, Cynhia B. Hsu, Yousef A. Ibrahim, Will R. Jones, Charles Y. Jun, Madeleine M. Karpiuk, Eghe S. Obaseki, Phillip A. Osak, Jessica R. Schwartzwald, Ryan W. Sloan, Sara M. Rocus, William Schjerven, Gregory B. Kharas
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-cwmkk
 
Subject: Chemistry
,
Working Paper
, Title:

Recombination Between ¹³C and ²H to Form Acetylide (¹³C₂²H‾) Probes Nanoscale Interactions in Lipid Bilayers Via Dynamic Secondary Ion Mass Spectrometry: Cholesterol and GM₁ Clustering

, Authors: Dashiel Grusky, Frank Moss, Steven Boxer
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-fsq05
 
Subject: Chemistry
,
Working Paper
, Title:

Towards time resolved characterization of electrochemical reactions: Electrochemically-Induced Raman Spectroscopy

, Authors: Luca D'Amario, Maria Bruna Stella, Tomas Edvinsson, Maurizio Persico, Johannes Messinger, Holger Dau
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-zgngr
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorescent ligands targeting the intracellular allosteric binding site of the chemokine receptor CCR2

, Authors: Lara Toy, Max E. Huber, Maximilian F. Schmidt, Dorothee Weikert, Matthias Schiedel
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-wg6cg-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Integrated Experimental and Computational K-edge XANES Analysis of Vanadium Catalysts

, Authors: Prajay Patel, Zheng Lu, Mehrafshan G. Jafari, Cristina Hernandez-Prieto, Pavel Zatsepin, Daniel J. Mindiola, David M. Kaphan, Massimiliano Delferro, A. Jeremy Kropf, Cong Liu
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-g1jqx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Co-design of zinc titanium nitride semiconductor towards durable photoelectrochemical applications

, Authors: Ann L. Greenaway, Sijia Ke, Theodore Culman, Kevin R. Talley, John S. Mangum, Karen N. Heinselman, Ryan S. Kingsbury, Rebecca W. Smaha, Elisa M. Miller, Kristin A. Persson, John M. Gregoire, Sage R. Bauers, Jeffrey B. Neaton, Adele C. Tamboli, Andriy Zakutayev
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-chbvt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A crystalline tri-thorium cluster: σ-aromaticity vs charge-shift bonding

, Authors: Dariusz Szczepanik
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2021-qr24p-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerating AutoDock VINA with GPUs

, Authors: Tang Shidi, Chen Ruiqi, Lin Mengru, Lin Qingde, Zhu Yanxiang, Ding Ji, Wu Jiansheng, Hu Haifeng, Ling Ming
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2021-3qvn2-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Spheroplasts preparation boosts the catalytic potential of a terpene cyclase

, Authors: Ana Isabel Benítez-Mateos, Andreas Schneider, Eimear Hegarty, Bernhard Hauer, Francesca Paradisi
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-w08d0
 
Subject: Chemistry
,
Working Paper
, Title:

Deep Learning Models for the Estimation of Free Energy of Permeation of Small Molecules across Lipid Membranes

, Authors: Prantar Dutta, Deepak Jain, Rakesh Gupta, Beena Rai
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-h2rw7
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Proteomics Reveals Antibiotic Targets of Oxadiazolones in MRSA

, Authors: Alexander Bakker, Ioli Kotsogianni, Liza Mirenda, Verena Straub, Bogdan Florea, Richard van den Berg, Antonius Janssen, Nathaniel Martin, Mario van der Stelt
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-7gcmd
 
Subject: Chemistry
,
Working Paper
, Title:

A unified synthetic strategy to introduce heteroatoms via electrochemical functionalization of alkyl organoboron reagents

, Authors: Hong Geun Lee, Taek Dong Chung, Su Yong Go, Hyunho Chung, Samuel Jaeho Shin, Sohee An, Ju Hyun Youn, Tae Yeong Im, Ji Yong Kim
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2021-bvf1l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Stereocontrolled Total Synthesis of Bastimolide B using Iterative Homologation of Boronic Esters

, Authors: Daniele Fiorito, Selbi Keskin, Joseph Bateman, Malcolm George, Adam Noble, Varinder Aggarwal
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-ngsc5
 
Subject: Chemistry
,
Working Paper
, Title:

Strain Release [2p+2s]-Cycloadditions for the Synthesis of [2.1.1]-Bicyclohexanes Initiated by Energy Transfer

, Authors: Renyu Guo, Yu-Che Chang, Loic Herter, Christophe Salome, Sarah Braley, Thomas Fessard, Michael Brown
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-cg9lb
 
Subject: Chemistry
,
Working Paper
, Title:

Double hydrophilic poly(ethylene glycol)-block-poly(dehydroalanine) four-arm star block copolymers: synthesis and solution behavior

, Authors: Peter Johannes Mons, Nora Fribiczer, Kathrin Kowalczuk, Purushottam Poudel, Sebastian Seiffert, Felix Helmut Schacher
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-32tvn
 
Subject: Chemistry
,
Working Paper
, Title:

Enzyme-Catalysed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis

, Authors: Oksana Bilyk, Finian Leeper, Marcio Vinicius Bertacine Dias, Peter Leadlay
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-h4v7z
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrogen-doped, proton-exchanged Dion-Jacobson layered niobate perovskites for photocatalytic hydrogen generation in solar light

, Authors: Natalia Kulischow, Roland Marschall
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-m56st
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Depolymerization of Lignin in a Biomass-based Solvent

, Authors: Márcia Gabriely Alves da Cruz, Robin Gueret, Jianhong Chen, Jędrzej Piątek, Mika Sipponen, Marcella Frauscher, Serhiy Budnyk, Bruno Rodrigues, Adam Slabon
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-9164j
 
Subject: Chemistry
,
Working Paper
, Title:

Circular Geometry in Molecular Stream Separation to Facilitate Non-Orthogonal Field-to-Flow Orientation

, Authors: Sven Kochmann, Nikita A. Ivanov, J.C. Yves Le Blanc, Boris I. Gorin, Sergey N. Krylov
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-3w7gt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reconstructing Reactivity in Dynamic Host-Guest Systems at Atomistic Resolution: Amide Hydrolysis Under Confinement in the Cavity of a Coordination Cage

, Authors: Massimo Delle Piane, Luca Pesce, Matteo Cioni, G. M. Pavan
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-hb7v3
 
Subject: Chemistry
,
Working Paper
, Title:

A donor-acceptor Stenhouse adduct displaying reversible photoswitching in water and neuronal activity

, Authors: Rossella Castagna, Galyna Maleeva, Deborah Pirovano, Carlo Matera, Pau Gorostiza
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-0ps7t
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Design of Amphiphilic Fluorinated Peptides: Evaluation of Self-Assembly Properties and Hydrogel Formation

, Authors: Suvrat Chowdhary, Robert Franz Schmidt, Anil Kumar Sahoo, Tiemo tom Dieck, Thomas Hohmann, Boris Schade, Kerstin Brademann-Jock, Andreas F. Thünemann, Roland R. Netz, Michael Gradzielski, Beate Koksch
Version undefined posted 25 March 2022
Posted
Mar 25, 2022
10.26434/chemrxiv-2022-5126l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mass effects for thermodiffusion in dilute aqueous solutions

, Authors: Alejandro Diaz-Marquez, Guillaume Stirnemann
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-c0xh5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Amphiphilic Model Networks Based on PEG and PCL Tetra-Arm Star Polymers with Complementary Reactivity

, Authors: Carolin Bunk, Lucas Löser, Nora Fribiczer, Hartmut Komber, Lothar Jakisch, Reinhard Scholz, Sebastian Seiffert, Brigitte Voit, Kay Saalwächter, Michael Lang, Frank Böhme
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-dlq4b
 
Subject: Chemistry
,
Review
, Title:

Molecular Design of Redox Carriers for Electrochemical CO2 Capture and Concentration

, Authors: Jeffrey Barlow, Lauren Clarke, Zisheng Zhang, Daniel Bim, Katelyn Ripley, Alessandra Zito, Fikile Brushett, Anastassia Alexandrova, Jenny Yang
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-l464r
 
Subject: Chemistry
,
Working Paper
, Title:

Three-Dimensional Fully pi-Conjugated Macrocycles: When 3D-Aromatic and when 2D-Aromatic-in-3D?

, Authors: Ouissam El Bakouri, Dariusz Szczepanik, Kjell Jorner, Rabia Ayub, Patrick Bultinck, Miquel Solà, Henrik Ottosson
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2021-7qb90-v3
 
Subject: Chemistry
,
Working Paper
, Title:

On the alternating structure of cyclo[18]carbon

, Authors: Jing-Xuan Zhang, Junjie Yang, Fu Kit Sheong
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-sgq6f
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Communication and Photoinduced Intramolecular Electron Transfer in Hybrid Ru(II)-Re(I) Complexes Using Eigenstate-Based and Diabatic-State-Based Models

, Authors: Rangsiman Ketkaew
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-40c31-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Pyrimidine-2-amines increase susceptibility of methicillin-resistant Staphylococcus aureus to penicillin G

, Authors: Payton Thomas, Margaret Deming, Aurijit Sarkar
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-5f2cv-v2
 
Subject: Chemistry
,
Review
, Title:

Molecular interpretation of single-molecule force spectroscopy experiments with computational approaches

, Authors: STIRNEMANN Guillaume
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-dwmsv
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-light-induced aerobic photocatalytic oxidation of alcohols to carboxylic acids over practical NaBr/NH2-MIL-125(Ti) catalyst system

, Authors: Xiuzhi Wei, Jianguo liu, Longlong Ma
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-mg5cv
 
Subject: Chemistry
,
Working Paper
, Title:

Cobalt-Catalyzed Tandem Deamination, Decarboxylation, and Dehomologation of Primary Amines to Carboxylic Acids in Water

, Authors: Arup Mukherjee, Deep Chowdhury
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-ght05
 
Subject: Chemistry
,
Working Paper
, Title:

CdS Quantum Dots as Potent Photoreductants for Organic Chemistry Enabled by Auger Recombination

, Authors: Jonas Widness, Daniel Enny, Kaelyn McFarlane-Connelly, Mahilet Miedenbauer, Todd Krauss, Daniel Weix
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-3x02c
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-based virtual screening for PDL1 dimerizers: evaluating generic scoring functions

, Authors: Viet-khoa Tran-nguyen, Saw Simeon, Muhammad Junaid, Pedro Ballester
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-52s4m
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon Dioxide Capture at Nucleophilic Hydroxide Sites in Oxidation-Resistant Cyclodextrin-Based Metal-Organic Frameworks

, Authors: Mary Zick, Suzi Pugh, Jung-Hoon Lee, Alexander Forse, Phillip Milner
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-f1xz2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical Synthesis of Phosphonate-based Proton Conducting Metal Organic Frameworks

, Authors: Biswajit Bhattacharya, Max Rautenberg, Chayanika Das, Franziska Emmerling
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-jgh1c
 
Subject: Chemistry
,
Working Paper
, Title:

Photomediated Tandem Sulfonyl Addition-Chemoselective N-Cyclization of o- Alkenyl Aryl Ureas: Direct Assembly of Functionalized Dihydroquinazolinones

, Authors: Sakamuri Sarath Babu, Gopinath Purushothaman
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-740ds
 
Subject: Chemistry
,
Working Paper
, Title:

Design and synthesis of Kekulè and non-Kekulè diradicaloids via radical peri-annulation strategy: the power of seven Clar’s sextets

, Authors: FEBIN KURIAKOSE, Ökten Üngör, Debashis Sen, Frederic Mentink-Vigier, Xinsong Lin, Shubham Bisht, Robert A. Lazenby, Michael Shatruk, Igor V. Alabugin
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-jnbrc
 
Subject: Chemistry
,
Working Paper
, Title:

Antimicrobial Polymers of Linear and Bottlebrush Architecture: Probing the Membrane Interaction and Physicochemical Properties

, Authors: Alain Murhimalika Bapolisi, Patrycja Kielb, Marek Bekir, Anne-Catherine Lehnen, Christin Radon, Sophie Laroque, Petra Wendler, Henrike M. Müller-Werkmeister, Matthias Hartlieb
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-tt8v7
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Role of Charge Storage Mechanisms in the Electrochromic Switching Kinetics of Metal Oxide Nanocrystals

, Authors: Hsin-Che Lu, Benjamin Z. Zydlewski, Bharat Tandon, Sofia A. Shubert-Zuleta, Delia J. Milliron
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-hsf4p
 
Subject: Chemistry
,
Working Paper
, Title:

On the experimental determination of 4f-4f intensity parameters from the emission spectra of europium (III) compounds

, Authors: Lucca Blois, Albano Carneiro Neto, Ricardo Longo, Israel Costa, Tiago Paolini, Hermi Brito, Oscar Malta
Version undefined posted 28 March 2022
Posted
Mar 28, 2022
10.26434/chemrxiv-2022-m1nn9
 
Subject: Chemistry
,
Review
, Title:

The progress and promise of RNA medicine—an arsenal of targeted treatments

, Authors: Janet Sasso, Barbara Ambrose, Rumiana Tenchov, Ruchira Datta, Matthew Basel, Robert DeLong, Qiongqiong Zhou
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-nmmxh
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking the dynamic luminescent properties and UV stability of B18H22-based materials

, Authors: Kierstyn Anderson, Ash Hua, John Plumley, Austin Ready, Arnold Rheingold, Thomas Peng, Peter Djurovic, Christopher Kerestes, Neil Snyder, Andrew Andrews, Justin Caram, Alexander Spokoyny
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-h70dk
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of amide topology on the self-assembly and charge transport of hydrogen-bonded semiconductors

, Authors: Nelson Ricardo Avila-Rovelo, Gabriel Martinez, Wakana Matsuda, Stephan Sinn, Patrique Lévêque, Duncan Schwaller, Philippe Mesini, Shu Seki, Amparo Ruiz Carretero
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-69pfp
 
Subject: Chemistry
,
Working Paper
, Title:

Unravelling free volume in branched-cation ionic liquids based on silicon

, Authors: Eduards Bakis, Kateryna Goloviznina, Inês Vaz, Diana Sloboda, Valda Valkovska, Igors Klimenkovs, Agilio Padua, Margarida Costa Gomes, Daniels Hazens
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-br6r2
 
Subject: Chemistry
,
Working Paper
, Title:

Time Evolution of Entanglement of Electrons and Nuclei and Partial Traces in Ultrafast Photochemistry

, Authors: Martin Blavier, Raphael D. Levine, Francoise Remacle
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-62w47
 
Subject: Chemistry
,
Review
, Title:

Halogen Bonding and Chalcogen Bonding Mediated Sensing

, Authors: Robert Hein, Paul D. Beer
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-pvn9f
 
Subject: Chemistry
,
Working Paper
, Title:

New generation of nitrenium salts: catalytic hydrosilylation of imines and a mechanism of action of nitrogen Lewis acids

, Authors: Kuldeep Singh, Idan Avigdori, Alexander Kaushansky, Natalia Fridman, Mark Gandelman
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-q2lrg
 
Subject: Chemistry
,
Working Paper
, Title:

The Kasi Learning System – Providing Blind and Low Vision Students Independence in Studying Diagrams

, Authors: Sarah Wegwerth, Gianna Manchester, Julia Winter
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-tdx0v
 
Subject: Chemistry
,
Working Paper
, Title:

Using Metal Substrate to Enhance the Reactivity of Graphene towards Diels-Alder Reactions

, Authors: Xiaojian Yang, Feiran Chen, Min Kim, Haitao Liu, Lawrence Wolf, Mingdi Yan
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-14tmh
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Remdesivir Incorporation Along the Primer Strand on SARS-CoV-2 RNA-dependent RNA polymerase

, Authors: Sehr Naseem-Khan, Madison B. Berger, Emmett M. Leddin, Yazdan Maghsoud, G. Andrés Cisneros
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-4s2c7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reactivity of a Unique Si(I)-Si(I)-based η2-bis(silylene) Iron Complex

, Authors: Zhiyuan He, Liu Lingyu, Felix de Zwart, Xiaolian Xue, Andreas Ehlers, KaKing Yan, Serhiy Demeshko, Jarl Ivar van der Vlugt, Bas de Bruin, Jeremy Krogman
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-qpr59
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and styrene copolymerization of alkoxy ring-substituted 2-methoxyethyl phenylcyanoacrylates

, Authors: Christian Lopez, Monica A. Martinez, Emma L. Melendez-Scherer, Alyssa Nunez, Kyle J. Ochwat, Presley O’Neil, Michal P. Papierz, Limariz Rebolledo, Alyssa D. Spires, Sara Rocus, William Schjerven, Gregory B. Kharas
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-qqt8x
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient machine learning based surrogate models for surface kinetics by approximating the rates of the rate-determining steps

, Authors: Felix Döppel, Martin Votsmeier
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-qjcs5
 
Subject: Chemistry
,
Working Paper
, Title:

The (Not So) Simple Prediction of Enantioselectivity - A Pipeline for High-Fidelity Computations

, Authors: Rubén Laplaza, Jan-Grimo Sobez, Matthew Wodrich, Markus Reiher, Clémence Corminboeuf
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-qpvt0
 
Subject: Chemistry
,
Working Paper
, Title:

Point-of-care SARS-CoV-2 sensing using lens-free imaging and a deep learning-assisted quantitative agglutination assay

, Authors: Colin Potter, Yanmei Hu, Zhen Xiong, Jun Wang, Euan McLeod
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-dwhvx
 
Subject: Chemistry
,
Working Paper
, Title:

Sustainable and Scalable Synthesis of Noroxymorphone via a Key Electrochemical N-Demethylation Step

, Authors: Florian Sommer, Roman Gerber Aeschbacher, Urs Thurnheer, C. Oliver Kappe, David Cantillo
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-9z9g2
 
Subject: Chemistry
,
Working Paper
, Title:

Solid Phase Extraction on Reverse Phase Chromatographic Media Subjected to Stresses Expected for Extraterrestrial Implementation

, Authors: Jerome Ferrance
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-zxwhj
 
Subject: Chemistry
,
Working Paper
, Title:

Testing of Ion Exchange Chromatography Media for Extraterrestrial in situ Sample Preparation on Liquid Samples

, Authors: Jerome Ferrance
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-99ln9
 
Subject: Chemistry
,
Working Paper
, Title:

Anti-infective DNase I Coatings on Polydopamine Functionalized Titanium Surfaces by Alternating Current Electrophoretic Deposition

, Authors: Merve K. Aktan, Marie Van der Gucht, Hanne Hendrix, Greetje Vande Velde, Kitty Baert, Tom Hauffman, Manuela S. Killian, Rob Lavigne, Annabel Braem
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-0dfs3
 
Subject: Chemistry
,
Working Paper
, Title:

Zero-gap bipolar membrane electrolyzer for carbon dioxide reduction using acid-tolerant molecular electrocatalysts

, Authors: Bhavin Siritanaratkul, Mark Forster, Francesca Greenwell, Preetam K. Sharma, Eileen H. Yu, Alexander J. Cowan
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-6m0wp
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of histone peptide binding specificity and small molecule ligands for the bromodomains of TRIM33α and TRIM33β

, Authors: Angelina Sekirnik, Jessica Reynolds, Larissa See, Joseph Bluck, Amy Scorah, Cynthia Tallant, Bernadette Lee, Katarzyna Leszczynska, Rachel Grimley, Ian Storer, Marta Malattia, Sara Crespillo, Sofia Caria, Stephanie Duclos, Ester Hammond, Stefan Knapp, Garrett Morris, Fernanda Duarte, Philip Biggin, Stuart Conway
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-vnf6p
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Electoral Opportunism: Disentangling Myopia and Moderation

, Authors: Axel Cronert, Pär Nyman
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.33774/apsa-2021-s7h95-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pose Classification using 3D Atomic Structure-Based Neural Networks Applied to Ion Channel-Ligand Docking

, Authors: Heesung Shim, Hyojin Kim, Jonathan Allen, Heike Wulff
Version undefined posted 29 March 2022
Posted
Mar 29, 2022
10.26434/chemrxiv-2022-q8cpx
 
Subject: Chemistry
,
Working Paper
, Title:

A tracer gas study of ventilation and air movement to inform potential SARS-CoV-2 airborne transmission

, Authors: Kathryn Linge, Julian Palmer, Angela Downey, Karina Soukos, Jacky Cailes, Michael Walker, Ewald Swinny
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-2rt0t
 
Subject: Chemistry
,
Working Paper
, Title:

Time-independent desorption hysteresis in liquid phase sorption experiments: the concept and the models based on gate-sorption site coupling

, Authors: Mikhail Borisover
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-mpc1s
 
Subject: Chemistry
,
Working Paper
, Title:

First fluorescent acetylspermidine deacetylation assay for HDAC10 identifies selective inhibitors with cellular target engagement

, Authors: Daniel Herp, Johannes Ridinger, Dina Robaa, Stephen A. Shinsky, Karin Schmidtkunz, Talha Z. Yesiloglu, Theresa Bayer, Raphael R. Steimbach, Corey J. Herbst-Gervasoni, Annika Merz, Christophe Romier, Peter Sehr, Nikolas Gunkel, Aubry K. Miller, David W. Christianson, Ina Oehme, Wolfgang Sippl, Manfred Jung
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-pqhtn-v4
 
Subject: Chemistry
,
Working Paper
, Title:

High-Throughput and Data Driven Strategies for the Design of Deep-Eutectic Solvent Electrolytes

, Authors: Jaime Rodriguez, Maria Politi, Stuart Adler, David Beck, Lilo Pozzo
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-tsh19
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating new blends of HFE-7100 iodine α-naphthoflavone sprays for fingermark development

, Authors: Kristen Clarke, Matthew Krosch, Antonio Martinez, William Gee
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-qhs3m
 
Subject: Chemistry
,
Working Paper
, Title:

Site Specific NMR Characterization of Abeta-40 Oligomers Cross Seeded by Abeta-42 Oligomers

, Authors: Han-Wen Chang, Ho-I Ma, Yi-Shan Wu, Ming-Che Lee, Eric Chung-Yueh Yuan, Shing-Jong Huang, Yu-Sheng Cheng, Meng-Hsin Wu, Ling-Hsien Tu, Jerry Chun Chung Chan
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-tfhx6
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical Inspection of TM-P4C Single-Atom Electrocatalyst: Ultra-High Performance for bifunctional Oxygen Reduction and Evolution Reactions

, Authors: Guan Chaohong, Runxin Ouyang, Hong Zhu, Yangyang Xie
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2021-3jt06-v2
 
Subject: Chemistry
,
Review
, Title:

Chemical Diversity and Biological Activities of Anthraquinones Derived from Marine Fungi: A Comprehensive Update

, Authors: Mohamed Sebak, Fatma Molham, Mohamed A. Tammam, Amr El-Demerdash
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-9d2ht
 
Subject: Chemistry
,
Working Paper
, Title:

Design and Application of an Immobilized Protein Kinase

, Authors: Dalton Deane, Thomas Cope, Anna Schulz, Edward Bennett, Robert Hughes
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-c6wf5
 
Subject: Chemistry
,
Working Paper
, Title:

Novel (super)hard SiCN from crystal chemistry and first principles

, Authors: Samir F. Matar, Jean Etourneau, Vladimir L. Solozhenko
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-l9g14
 
Subject: Chemistry
,
Working Paper
, Title:

Silicon Substitution Expands the Repertoire of Si-Rhodamine Fluorescent Probes

, Authors: Desaboini Nageswara Rao, Xincai Ji, Stephen Miller
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-b04k0
 
Subject: Chemistry
,
Working Paper
, Title:

Post-synthetic modification of a porous hydrocarbon cage to give a discrete Co24 organometallic complex

, Authors: Chriso Thomas, Weibin Liang, Dan Preston, Christian Doonan, Nicholas White
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-9gw50
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Li-ion Transport in Solid Electrolytes by Confined Water

, Authors: Yutong Li, Shitong Wang, Jin Leng, Zunqiu Xiao, Zhongtai Zhang, Tao Gao, Zilong Tang
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-jgxc7
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous retrosynthesis of nanoscale structures via spectral shape matching

, Authors: Kiran Vaddi, Huat Thart Chiang, Lilo D Pozzo
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-dmn8w
 
Subject: Chemistry
,
Review
, Title:

Volcanic ash as multi-nutrient mineral fertilizer: science and early applications

, Authors: Rosaria Ciriminna, Antonino Scurria, Giuseppe Tizza, Mario Pagliaro
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-brsxc
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling Molecular Assembly and Tracking Lipid Droplets Dynamics using Fluorescent Phenanthroimidazole Derivatives

, Authors: Subhankar Kundu, Bahadur Sk, Nitu Saha, Tapas Dutta, Subhadeep Das, Raghuvir Tomar, Abhijit Patra
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-dtxhd
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding reversibility of lithium–oxygen batteries based on LiOH formation and decomposition

, Authors: Xiahui Zhang, Panpan Dong, Seunghyo Noh, Xianghui Zhang, Younghwan Cha, Su Ha, Ji-Hoon Jang, Min-Kyu Song
Version undefined posted 30 March 2022
Posted
Mar 30, 2022
10.26434/chemrxiv-2022-cfjgn
 
Subject: Chemistry
,
Working Paper
, Title:

Study on the tolerance of low-temperature CO methanation with single pulse experiments

, Authors: Jens Friedland, Thomas Turek, Robert Güttel
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-54jpx
 
Subject: Chemistry
,
Working Paper
, Title:

Epoxide Hydrogenolysis Catalyzed by Ruthenium PNN and PNP Pincer Complexes

, Authors: Fallyn Kirlin, Olivia Borden, Marianna Head, Sophie Kelly, Anthony Chianese
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-pr5rc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Substituent Control of Tribofilm Growth under Mechanochemical Conditions

, Authors: Jie Zhang, James Ewen, Hugh Spikes
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-w14dp-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Effects of Ion Adsorption on Graphene Oxide Films and Interfacial Water Structure: A Molecular-Scale Description

, Authors: Amanda Carr, Raju Kumal, Wei Bu, Ahmet Uysal
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-2dbzj-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Why Do Liquids Mix? The Mixing of Protic Ionic Liquids Sharing the Same Cation is Apparently Driven by Enthalpy, not Entropy

, Authors: Benjamin Golub, Daniel Ondo, Ralf Ludwig, Dietmar Paschek
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-6zqq9-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Concise Syntheses of ent-Aquilanol A and Aquilanol B via Retro-cycloisomerization of (-)-Caryophyllene Oxide. Access to Medium-sized Oxygenated Carbocyclic Scaffolds

, Authors: Anastasia Maliori, Theodora Athanasiadou, Venetia Psomiadou, Christos Stathakis
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-2xrx4
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled synthesis of SPION@SiO2 nanoparticles using design of experiments

, Authors: Clarissa Harman, Niamh Mac Fhionnlaoich, Aaron King, Joseph Manning, Wu Lin, Peter Scholes, Stefan Guldin, Gemma-Louise Davies
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-fg22h
 
Subject: Chemistry
,
Working Paper
, Title:

Enzyvitands: versatile evolvable colorimetric chembioreceptors

, Authors: Thibaud Rossel, zhang Bing, Raphael Gobat
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2021-ghnkr-v7
 
Subject: Chemistry
,
Working Paper
, Title:

Probing Thermodynamics, Kinetics and Structural Details of Multivalent Lectin-Glycan Interactions by Quantum Dot-FRET

, Authors: James Hooper, Yuanyuan Liu, Darshita Budhadev, Dejian Zhou, Yuan Guo
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-744pt
 
Subject: Chemistry
,
Working Paper
, Title:

Diastereoselectivity is in the Details: Minor Changes Yield Major Improvements to the Synthesis of Bedaquiline

, Authors: Sarah Mear, Tobias Lucas, Grace Ahlqvist, Juliana Robey, Jule-Philipp Dietz, Pankaj Khairnar, Sanjay Maity, Corshai Williams, David Snead, Ryan Nelson, Till Opatz, Timothy Jamison
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-cp3g8
 
Subject: Chemistry
,
Working Paper
, Title:

Transient behavior of CO and CO2 hydrogenation on Fe@SiO2 core-shell model catalysts – A stoichiometric analysis of experimental data

, Authors: Christian Zambrzycki, Robert Güttel
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-bx33b
 
Subject: Chemistry
,
Working Paper
, Title:

A Concise Biocatalytic Synthesis of Pretomanid

, Authors: Yuxuan Ye, Todd Hyster
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-3ngrf
 
Subject: Chemistry
,
Working Paper
, Title:

Microbubble Enhanced Bitumen Separation from Tailing Slurries with High Solid Contents

, Authors: Kaiyu Zhou, Somasekhara Gound Sontti, Joe Zhou, Payman Esmaeili, Xuehua Zhang
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-48jd1
 
Subject: Chemistry
,
Working Paper
, Title:

Batch-Screening Guided Continuous Flow Synthesis of the Metal-organic Framework HKUST-1 in a Millifuidic Droplet Reactor

, Authors: Rajasi Shukre, Thomas Ericson, Daniel Unruh, Hannah Harbin, Anthony Cozzolino, Chau-Chyun Chen, Siva Vanapalli
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-bwr46
 
Subject: Chemistry
,
Working Paper
, Title:

An injectable, naproxen-conjugated, supramolecular hydrogel with ultra-low critical gelation concentration - prepared from a known folate receptor ligand

, Authors: Carlos Oliveira, Sérgio Veloso, Elisabete Castanheira, Loic Hilliou, Renato Pereira, David Pereira, José Alberto Martins, Paula Ferreira, Peter Jervis
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-snfj4
 
Subject: Chemistry
,
Working Paper
, Title:

Family 1 glycosyltransferases (GT1, UGTs) are subject to dilution-induced inactivation and low chemo stability towards their own acceptor substrates

, Authors: David Teze, Gonzalo Bidart, Ditte Welner
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.26434/chemrxiv-2022-18xnr
 
Subject: Politics and International Relations
,
Working Paper
, Title:

A Formal Model of Shared Identity Appeals

, Authors: Gento Kato, Fan Lu
Version undefined posted 31 March 2022
Posted
Mar 31, 2022
10.33774/apsa-2022-cxzb0
 
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