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Subject: Chemistry
,
Working Paper
, Title:

Improving Cycle Life Through Fast Formation Using a Super-Concentrated Phosphonium Based Ionic Liquid Electrolyte for Anode-Free and Lithium Metal Batteries

, Authors: Thushan Pathirana, Dmitrii Rakov, Fangfang Chen, Maria Forsyth, Robert Kerr, Patrick C. Howlett, Dmitrii A. Rakov
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14702748.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Application Limits of the Ferrioxalate Actinometer

, Authors: Benjamin Wriedt, Dirk Ziegenbalg
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14702724.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Validating the CHARMM36m Protein Force Field with LJ-PME Reveals Altered Hydrogen Bonding Dynamics under Elevated Pressures

, Authors: You Xu, Jing Huang
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.13653203.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mixed-Metal Cu-Zn Thiocyanate Coordination Polymers with Melting Behavior, Glass Transition, and Tunable Electronic Properties

, Authors: Chayanit Wechwithayakhlung, Suttipong Wannapaiboon, Sutassana Na-Phattalung, Phisut Narabadeesuphakorn, Similan Tanjindaprateep, Saran Waiprasoet, Satoshi Horike, Pichaya Pattanasattayavong
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14703450.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Density-Based Many-Body Expansion as an Efficient and Accurate Quantum-Chemical Fragmentation Method: Application to Water Clusters

, Authors: Daniel Schmitt-Monreal, Christoph R. Jacob
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14381696.v2
 
Subject: Chemistry
,
Working Paper
, Title:

How Do Molecular Motions Affect Structures and Properties at Molecule and Aggregate Levels?

, Authors: Deshuang Tu, Jianyu Zhang, Yunxiao Zhang, Herman H.-Y. Sung, Lijie Liu, Ryan Tsz Kin Kwok, Jacky W. Y. Lam, Ian Duncan Williams, Hong Yan, Ben Zhong Tang, tu deshuang
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14703822.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Nanoscale Model System for the Human Myelin Sheath

, Authors: Matthias Hoffmann, David Haselberger, Tommy Hofmann, Lisa Müller, Kevin Janson, Annette Meister, manabendra das, Carolyn Vargas, Sandro Keller, Panagiotis L. Kastritis, Carla Schmidt, Dariush Hinderberger
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14687151.v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Control of pH and Ionic Strength Gradients on the Interaction of Low-Molecular-Weight Organic Acids and Siderophores

, Authors: George Northover, Yiru Mao, MD Hanif, Salvador Blasco, Ramon Vilar, Enrique Garcia-España, Dominik Weiss
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14706036.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning Reactivity of Micellar Nanoreactors by Precise Adjustments of the Amphiphiles and Substrates Hydrophobicity

, Authors: Shahar Tevet, Shreyas Shankar Wagle, Gadi Slor, Roey Amir
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14706009.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging Oxidase- and Oxygen Reduction Electro-Catalysis by Model Single-Atom Catalysts

, Authors: Xiangyu Lu, Shanshan Gao, Han Lin, Han Tian, Deliang Xu, Jianlin Shi, lu xiangyu
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14703861.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Bleaching the Record: After 200 Years, Single Crystal X-Ray Crystallography Reveals the Structure and Hydrogen-Bonding Properties of Hypochlorite and Hypobromite Ions in the Solid State

, Authors: Filip Topic, Joseph Marrett, Tristan Borchers, Hatem M. Titi, Christopher J. Barrett, Tomislav Friscic
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14706612.v1
 
Subject: Chemistry
,
Working Paper
, Title:

On the Nature of Bonding in the Photochemical Addition of Two Ethylenes: C-C Bond Formation in the Excited State?

, Authors: Cristian Guerra, Leandro Ayarde-Henriquez, Mario Duque-Noreña, Carlos Cardenas, Patricia Pérez, Eduardo Chamorro
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14697462.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Photocyclization of Fluorinated Tetraphenylethylenes

, Authors: Zhenglin Zhang, Thien Lieu, Xiqu Wang, Olafs Daugulis, Ognjen Miljanic
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14697399.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Simplifying and Expanding the Scope of Boron Imidazolate Framework (BIF) Synthesis Using Mechanochemistry

, Authors: Cameron Lennox, Jean-Louis Do, Joshua Crew, Mihails Arhangelskis, Hatem M. Titi, Ashlee J Howarth, Omar K. Farha, Tomislav Friscic
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14707233.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Dissociative Electron Attachment in C2H via Electronic Resonances

, Authors: Sahil Gulania, Anna Krylov
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14707581.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Coarse-Grained Molecular Dynamics Simulations of Nanoplastics Interacting with a Hydrophobic Environment in Aqueous Solution

, Authors: Lorenz Dettmann, Oliver Kühn, Ashour A. Ahmed, Oliver Kuehn
Version undefined posted 01 June 2021
Posted
Jun 01, 2021
10.26434/chemrxiv.14709072.v1
 
Subject: Chemistry
,
Working Paper
, Title:

An Early Warning Monitoring System for Illicit Drug Use at Large Public Events: ‘Close to Real Time’ Trace Residue Analysis of Discarded Drug Packaging Samples

, Authors: Henry West, JOHN FITZGERALD, Katherine Hopkins, Eric Li, Nicolas Clark, Stephanie Tzanetis, Gavin Reid, SHAUN GREENE
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14693016.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Neural Language Modeling for Molecule Generation

, Authors: Sanjar Adilov
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14700831.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial Water Many-body Effects Drive Structural Dynamics and Allosteric interactions in SARS-CoV-2 Main Protease Dimerization Interface

, Authors: Dina El Ahdab, Louis Lagardère, Theo Jaffrelot Inizan, Frédéric Célerse, Chengwen Liu, Olivier Adjoua, Luc-Henri Jolly, Nohad Gresh, Zeina Hobaika, Pengyu Ren, Richard G. Maroun, Jean-Philip Piquemal
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14589882.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Characterization of Molecular Belts’ Shape in the Context of Porous Molecular Materials

, Authors: Ismael Gomez, Maciej Haranczyk, Marta Chaves-Salado, Ismael Gómez García
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14706447.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Novel β-Cyclodextrin Functionalized Core-Shell Fe3O4 Magnetic Nanoparticles for the Removal of Toxic Metals from Water

, Authors: Babak Kaboudin, Torabi Momen, Foad Kazemi, Priyanka Ray
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14707251.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Phase Transition on the Thermal Transport in Isoreticular DUT Materials

, Authors: Penghua Ying, Jin Zhang, Zheng Zhong
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14229134.v3
 
Subject: Chemistry
,
Working Paper
, Title:

β-Zeolite Assisted Lignin-First Fractionation in a Flow-Through Reactor

, Authors: Alexei Kramarenko, Deniz Etit, G. Laudadio, Fernanda Neira Dangelo, Alexei Kramarenko Logvynenko
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14161355.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Applicability of Baird’s Rule for In-Plane Aromaticity

, Authors: Yui Masumoto, Naoyuki Toriumi, Taisei Osawa, Atsuya Muranaka, Eiichi Kayahara, Shigeru Yamago, Mamoru Fujitsuka, Tetsuro Majima, Masanobu Uchiyama
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14708859.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Microfluidic Droplet Detection via Region-Based and Single-Pass Convolutional Neural Networks with Comparison to Conventional Image Analysis Methodologies

, Authors: Gregory Rutkowski, Ilgar Azizov, Evan Unmann, Marcin Dudek, Brian Arthur Grimes
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14709477.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic Activity of Diverse Organic Radical Anions: Catalyst Discovery Enables Cleavage of Strong C(sp2)–N and C(sp2)–O Bonds

, Authors: Colleen Chernowsky, Alyah Chmiel, Zachary Wickens
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14710398.v1
 
Subject: Chemistry
,
Working Paper
, Title:

General Many-Body Framework for Data-Driven Potentials with Arbitrary Quantum Mechanical Accuracy: Water as a Case Study

, Authors: Eleftherios Lambros, Saswata Dasgupta, Etienne Palos, Steven Swee, Jie Hu, Francesco Paesani, Paesani Lab
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14710815.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Sol Gel Technique to Prepare Composite Material of Glass-Dye-Polymers

, Authors: Jayanta Ray, Leena Bhowmik
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14711142.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Stabilization of a Triplet Diradical on a Binuclear palladium(II) Dipyrrindione

, Authors: Clayton J. Curtis, Andrei V. Astashkin, Jeanet Conradie, Abhik Ghosh, Elisa Tomat
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14713974.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Inducing Microscale Structural Order in Phage Nanofilament Hydrogels via Macromolecular Crowding with Globular Proteins

, Authors: Azadeh Peivandi, Kyle Jackson, Lei Tian, Leon He, Ahmad Mahmood, Cecile Fradin, Zeinab Hosseinidoust
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14714100.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Origins of Internal Regioselectivity in Copper-Catalyzed Borylation of Terminal Alkynes

, Authors: Takumi Tsushima, Hideya Tanaka, Kazuki Nakanishi, Masaaki Nakamoto, Hiroto Yoshida
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14714838.v1
 
Subject: Chemistry
,
Working Paper
, Title:

CoreView: Fresh Tissue Biopsy Assessment at the Bedside Using a Millifluidic Imaging Chip

, Authors: David Cooper, Chuqin Huang, Dylan Klavins, Mark Fauver, Matthew Carson, Farzad Fereidouni, Suzanne Dintzis, Csaba Galambos, Eric Seibel
Version undefined posted 02 June 2021
Posted
Jun 02, 2021
10.26434/chemrxiv.14702199.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Designing Asymmetrically Modified Nanochannel Sensors Using Virtual EIS

, Authors: Sivaranjani Devarakonda, Sungu Kim, Baskar Ganapathysubramanian, Pranav Shrotriya
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14714895.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Role of R266K Mutation in Cystathionine β-Synthase (CBS) Enzyme: An in Silico Study

, Authors: Aashish Bhatt, Md. Ehesan Ali
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.13567349.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Optimized Halogen Atomic Radii for PBSA Calculations Using Off-Center Point-Charges

, Authors: Andreia Fortuna, Paulo J. Costa
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14018543.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Approximate Models for the Lattice Thermal Conductivity of Alloy Thermoelectrics

, Authors: Jonathan Skelton
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14540358.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Disorder Classification of the Vibrational Spectra of Modern Glasses

, Authors: Zhiwen Pan, Omar Benzine, Shigeki Sawamura, Rene Limbach, Akio Koike, Thomas Bennett, Gerhard Wilde, Walter Schirmacher, Lothar Wondraczek
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14717211.v1
 
Subject: Mathematics
,
Working Paper
, Title:

Group Theoretic proof of infinitude of primes.

, Authors: Nazrul Haque
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.33774/coe-2021-8v5q2-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Integrated Material and Process Evaluation of Metal-Organic Frameworks Database for Energy-efficient SF6/N2 Separation

, Authors: Jaehoon Cha, Seongbin Ga, Seung-Joon LEE, Soomyung Nam, Youn-Sang Bae, Yongchul Chung
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14214398.v3
 
Subject: Chemistry
,
Working Paper
, Title:

CSI-LSTM: A Web Server to Predict Protein Secondary Structure Using Bidirectional Long Short Term Memory and NMR Chemical Shifts

, Authors: Zhiwei Miao, Qianqian Wang, Xiongjie Xiao, Linhong Song, Xu Zhang, Conggang Li, Xin Zhou, Bin Jiang, Maili Liu, 滨 蒋
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14717349.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Targetable Conformationally Restricted Cyanines Enable Photon-Count Limited Applications

, Authors: Patrick Eiring, Ryan McLaughlin, Siddharth Matikonda, HAN ZHONGYING, Lennart Grabenhorst, Dominic Helmerich, Mara Meub, Gerti Beliu, Michael Luciano, Venu Bandi, Niels Zijlstra, Zhen-Dan Shi, Rolf Swenson, Philip Tinnefeld, Viktorija Glembockyte, Thorben Cordes, Markus Sauer, Martin Schnermann
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14720883.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density

, Authors: Santiago Vargas, Matthew Hennefarth, Zhihao Liu, Anastassia N. Alexandrova
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14720892.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Evolution of Pt, Au, and Cu Anodes by Electrolysis up to Contact Glow Discharge Electrolysis in Alkaline Electrolytes

, Authors: Evelyn Artmann, Pramod V. Menezes, Lukas Forschner, Mohamed Elnagar, Ludwig A. Kibler, Timo Jacob, Albert Engstfeld
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14721111.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Semicarbazide Functionalized Flax Fibers for Effective Adsorption of Cr(VI) from Wastewater Samples

, Authors: Magda A. Akl, Mohamed Hashem, Aya G. Mostafa, Mohamed Hashmed
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14721303.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Thiazolidine Deprotection by 2-Aminobenzamide-Based Aldehyde Scavenger for One-Pot Multiple Peptide Ligation

, Authors: Koki Nakatsu, Hitoshi Murakami, Gosuke Hayashi, Akimitsu Okamoto
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14721477.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Beads on a Chain (BoC) Fluorescent Oligomeric Materials: Interactions of Conjugated Organic Cross-Linkers with Silsesquioxane Cages

, Authors: Shahrea Mahbub, Sukanya Saha, Ramakrishna Guda, Joseph Furgal
Version undefined posted 03 June 2021
Posted
Jun 03, 2021
10.26434/chemrxiv.14720916.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network

, Authors: Xiaowei Xie, Evan Spotte-Smith, Hetal Patel, Samuel Blau, Kristin Persson
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14720844.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Structural variation of protein-ligand complexes of the first bromodomain of BRD4

, Authors: Ellen Guest, Stephen Pickett, Jonathan Hirst
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14363720.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Use of Janus SiO2 Nanoparticles for Formulating Model Heavy Oil Macroemulsions

, Authors: D. Fabio Mercado, Luz Marina Ballesteros-Rueda, Cindy C. Lizarazo-Gómez, Brucxen E. Núñez-Rodríguez, Edward Arenas-Calderón, Víctor Gabriel Baldovino Medrano
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14723871.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Practical and Scalable Installation of Neglected S(VI) Functionality with Applications to the Enantiospecific Synthesis of Pharmaceuticals

, Authors: Zachary Shultz, Thomas Scattolin, Lukasz Wojtas, Justin Lopchuk
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14718603.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structure Determination, Thermal Stability and Dissolution Rate of δ Indomethacin

, Authors: Iryna Andrusenko, Victoria Hamilton, Arianna E. Lanza, Charlie L. Hall, Enrico Mugnaioli, Jason Potticary, Asma Buanz, Simon Gaisford, Anna Piras, Ylenia Zambito, Simon R. Hall, Mauro Gemmi
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14723658.v1
 
Subject: Chemistry
,
Working Paper
, Title:

[(VIVO)2MII5] (M = Ni, Co) Anderson Wheels

, Authors: Hector Fraser, Emily Payne, Arup Sarkar, Lucinda Wilson, Dmitri Mitcov, Gary Nichol, Rajaraman Gopalan, Stergios Piligkos, Euan Brechin
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14723907.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Morita-Baylis-Hillman Reaction. A Caveat

, Authors: Veejendra Yadav
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14724228.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Label-Free Plasmonic Biosensor for Rapid, Quantitative, and Highly Sensitive COVID-19 Serology: Implementation and Clinical Validation

, Authors: Olalla Calvo-Lozano, MIquel Sierra, Maria Soler, M.-Carmen Estevez, luis Chiscano-camon, Adolfo Ruiz-Sanmartín, Juan Carlos Ruiz-Rodriguez, Ricard Ferrer, Juan José González-López, Juliana Esperalba, Candela fernandez-naval, leticia Bueno, Rubén López-Aladid, Antoni Torres, Laia Fernández-Barat, Sarah Attoumani, Remi Charrel, Bruno Coutard, Laura M. Lechuga
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14595654.v2
 
Subject: Law
,
Working Paper
, Title:

DOMESTIC VIOLENCE AMID LOCKDOWN: A SHADOW PANDEMIC

, Authors: Abhimanyu Singh, Raj Kumar
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.33774/coe-2021-mhjlj
 
Subject: Education
,
Working Paper
, Title:

THE 4TH INDUSTRIAL REVOLUTION AND THE ROLE OF POST-INDUSTRIAL UNIVERSITIES

, Authors: Dhanjoo Ghista, Ravi Sharma
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.33774/coe-2021-bmh5t
 
Subject: Chemistry
,
Working Paper
, Title:

Potential Dependence of the Ionic Structure at the Ionic Liquid/water Interface Studied Using MD Simulation

, Authors: Kosuke Ishii, Tetsuo Sakka, Naoya Nishi
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14724147.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Spectroscopic Investigation of Polyaniline Co Poly Meta Amino Benzene Sulfonic Acid

, Authors: Jayanta Ray, Leena Bhowmik
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14727327.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Singlet Fission in Concentrated TIPS-Pentacene Solutions: The Role of Excimers and Aggregates

, Authors: Miroslav Dvořák, Shyamal Prasad, Cameron Dover, Chelsea Forest, Akasha Kaleem, Rowan W. MacQueen, Anthony J Petty, Roslyn Forecast, John E. Anthony, Murad J. Y. Tayebjee, Asaph N. Widmer-Cooper, Pall Thordarson, Timothy Schmidt
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14727708.v1
 
Subject: Psychology
,
Presentation
, Title:

Introduction to Cambridge Public Health Annual Showcase 2021

, Authors: Gordon Harold
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.33774/coe-2021-lzmps
 
Subject: Sociology
,
Presentation
, Title:

Supporting parents to enhance children's mental health and longer-term outcomes: An example of innovation in UK Government Policy Development - The Reducing Parental Conflict Programme (RPC) — Baroness Stedman-Scott

, Authors: Baroness Stedman-Scott
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.33774/coe-2021-c238q
 
Subject: Sociology
,
Presentation
, Title:

Born in Bradford: can a research study make you happy?

, Authors: John Wright
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.33774/coe-2021-3npw1
 
Subject: Medicine (excluding clinical)
,
Presentation
, Title:

Environmental risks and ADHD: An update on the evidence

, Authors: Anita Thapar
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.33774/coe-2021-xz72r
 
Subject: Sociology
,
Presentation
, Title:

What happens when mental health concerns bring young people into contact with the law? The promise of trauma informed practice

, Authors: Susan McVie
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.33774/coe-2021-jm227
 
Subject: Sociology
,
Presentation
, Title:

Measuring the delivery of children’s rights to protection, care and development: Promoting improved understanding of mental health support for looked after children and children in care

, Authors: Leon Feinstein
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.33774/coe-2021-5vd1m
 
Subject: Chemistry
,
Working Paper
, Title:

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

, Authors: Yifan Wang, Tai-Ying Chen, Dionisios Vlachos
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14727861.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Estimation of Binding Rates and Affinities from Multiensemble Markov Models and Ligand Decoupling

, Authors: Yunhui Ge, Vincent Voelz
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14728206.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling One-Electron vs Two-Electron Pathways in the Multi-Electron Redox Cycle of Nickel Diethyldithiocarbamate

, Authors: Md. Motiur Mazumder, Andricus Burton, Chase Richburg, Soumen Saha, Bryan Cronin, Evert Duin, Byron Farnum
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14725272.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Looking Beyond Adsorption Energies to Understand Interactions at Surface Using Machine Learning

, Authors: Sheena Agarwal, Kavita Joshi, Sheena Agrawal
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14726184.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Close-Stacking of Iron-Oxo-Based Double-Decker Complex on Graphite Surface Achieved High Catalytic CH4 Oxidation Activity Comparable to that of Methane Monooxygenases

, Authors: Yasuyuki Yamada, Kentaro Morita, Takuya Sugiura, Yuka Toyoda, Nozomi Mihara, Masanari Nagasaka, Hikaru Takaya, Kiyohisa Tanaka, Takanori Koitaya, Naoki Nakatani, Hiroko Ariga-Miwa, Satoru Takakusagi, Yutaka Hitomi, Toshiji Kudo, Yuta Tsuji, Kazunari Yoshizawa, Kentaro Tanaka
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14728860.v1
 
Subject: Chemistry
,
Working Paper
, Title:

SCONES: Self-Consistent Neural Network for Protein Stability Prediction Upon Mutation

, Authors: Yashas Samaga B L, Shampa Raghunathan, U. Deva Priyakumar
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14729445.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Bonding Heterogeneity in Mixed-Anion Compounds Realizes Ultralow Lattice Thermal Conductivity

, Authors: Naoki Sato, Norihide Kuroda, Shun Nakamura, Yukari Katsura, Ikuzo Kanazawa, Kaoru Kimura, Takao Mori
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14730126.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Palladium-Catalyzed Decarbonylative Catellani Reaction

, Authors: Huixiong Dai, Ming-Liang Han, Jun-Jie Chen, Hui Xu, Wei Huang, Yue-Wen Liu, Xing Wang, Min Liu, Zi-Qiong Guo, Zhi-Cong Huang
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14724357.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneous Chiral Resolution of Two Racemic Compounds by Preferential Cocrystallization

, Authors: fuli zhou, Oleksii Shemchuk, Maxime D. Charpentier, Chloé Matheys, laurent collard, Joop H. ter Horst, Tom Leyssens
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14730537.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Photodoping and Fast Charge Extraction in Ionic Carbon Nitride Photoanodes

, Authors: Christiane Adler, Shababa Selim, Igor Krivtsov, Chunyu Li, Dariusz Mitoraj, Benjamin Dietzek, James R Durrant, Radim Beranek
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14629437.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis

, Authors: Ariane Nunes Alves, Fabian Ormersbach, Rebecca Wade, Ariane Nunes-Alves
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14208446.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Requirements for Beneficial Electrochemical Restructuring: A Model Study on a Cobalt Oxide in Selected Electrolytes

, Authors: Javier Villalobos, Diego Gonzales-Flores, Roberto Urcuyo, Mavis L. Montero, Götz Schuck, Paul Beyer, Marcel Risch
Version undefined posted 04 June 2021
Posted
Jun 04, 2021
10.26434/chemrxiv.14710419.v2
 
Subject: Law
,
Working Paper
, Title:

Principle of Force Majeure - An Assessment of Commercial Contracts in India in Context of COVID-19

, Authors: Raj Kumar, Seema Deshwal
Version undefined posted 06 June 2021
Posted
Jun 06, 2021
10.33774/coe-2021-v9fzh
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Does Mass Shooting Influence Attitudinal Change? New Evidence from Orlando 2016

, Authors: Muzhou Zhang, Joseph Kelly
Version undefined posted 06 June 2021
Posted
Jun 06, 2021
10.33774/apsa-2021-kfdrs
 
Subject: Chemistry
,
Working Paper
, Title:

Ab-Initio Computational Study on Fe2NiP schreibersite: Bulk and Surface Characterization

, Authors: Stefano Pantaleone, Marta Corno, Albert Rimola, Nadia Balucani, Piero Ugliengo
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14369618.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reaction Mechanism of 2-Amido-2-Aminoacetic Acid-Formation from Amides and 2-Iminoacetic Acid: A DFT-study and Wavefunction Analysis

, Authors: Georg Dazinger
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.13347545.v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Computational and Literature-Based Evaluation for a Combination of Chiral Anti-CoV Drugs to Block and Eliminate SARS-CoV-2 Safely

, Authors: Mohd. Suhail
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.12550523.v4
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches

, Authors: carmelo Naim, Frédéric Castet, Eduard Matito
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14731428.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Heck-Type Coupling of Fused Bicyclic Vinylcyclopropanes: Synthesis of 1,2-Dihydropyridines, 2,3-Dihydro-1H-Azepines, 1,4-Cyclohexadienes, 2H-Pyrans, and 1,3-Butadienes

, Authors: Nikolai Wurzer, Urszula Klimczak, Tobias Babl, Sebastian Fischer, Ricardo A. Angnes, Julia Rehbein, Oliver Reiser
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14731455.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Improved pH-Controlled Release of Phenformin from Low-Defect Graphene Compared to Graphene Oxide

, Authors: Abdelnour Alhourani, Jan-Lukas Førde, Lutz Eichacker, Lars Herfindal, Hanne Hagland
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14731695.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Tale of Two Bioconjugations: pH Controlled Divergent Reactivity of Protein A-Oxo Aldehydes in Competing A-Oxo-Mannich and Catalyst-Free Aldol Ligations

, Authors: Tessa Keenan, Richard Spears, Saeed Akkad, Clare Mahon, Natasha E. Hatton, Julia Walton, Amanda Noble, Nick Yates, Christoph G. Baumann, Alison Parkin, Nathalie Signoret, Martin Fascione
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14731779.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Ubiquitous Presence of Intermolecular CH…O Hydrogen Bonds in As-Synthesized Zeolite Materials

, Authors: Shadi Al Nahari, Karima Ata, Tzonka Mineva, Bruno Alonso
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14731935.v1
 
Subject: Chemistry
,
Working Paper
, Title:

From Crystallographic Data to Solution Structure of Photoreceptors: The Case of AppA BLUF Domain

, Authors: Shaima Hashem, Veronica Macaluso, Michele Nottoli, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14731980.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Defects in Fluorescent Carbon Nanotubes for Sensing and Mechanistic Studies

, Authors: Alexander Spreinat, Maria Magdalena Dohmen, Jan Lüttgens, Niklas Herrmann, Lars F. Klepzig, Robert Nißler, Sabrina Weber, Florian A. Mann, Jannika Lauth, Sebastian Kruss
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14647527.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Functional Switching of a Native Neuropeptide Through Interactions with Pathogenic Factors in Dementia

, Authors: Jiyeon Han, Eunju Nam, Jiwon Yoon, Tongrui Qian, Yulong Li, Seung-Hee Lee, Mi Hee Lim
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14736882.v1
 
Subject: Chemistry
,
Working Paper
, Title:

HMPA-Free Generation of Trialkylsilyl Lithium Reagents and Its Application to Synthesis of Silylboronic Esters

, Authors: Shintaro Kamio, Taiki Imagawa, Masaaki Nakamoto, Martin Oestreich, Hiroto Yoshida
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14737362.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Concise and Stereoselective Total Syntheses of Annotinolides C, D, and E

, Authors: Pei Qu, Scott Snyder
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.26434/chemrxiv.14738259.v1
 
Subject: Law
,
Working Paper
, Title:

Legal Profession in Major Legal System

, Authors: Suman Acharya
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.33774/coe-2021-3b7z7
 
Subject: Economics
,
Working Paper
, Title:

Laws of Concentration and Centralization of Capital: A Modern Review

, Authors: Sourish Dutta
Version undefined posted 07 June 2021
Posted
Jun 07, 2021
10.33774/coe-2021-qxgvs
 
Subject: Chemistry
,
Working Paper
, Title:

Regioselective Asymmetric Alkynylation of N–Alkyl Pyridiniums

, Authors: Thiago A. Grigolo, Ariana R. Subhit, Joel Smith
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14732130.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Towards a Practical, Non-enzymatic Process for Molnupiravir from Cytidine

, Authors: Vijayagopal Gopalsamuthiram, Appasaheb L. Kadam, Jeffrey Noble, David Snead, Corshai Williams, Timothy F. Jamison, Chris Senanayake, Ajay Yadaw, Sarabindu Roy, Gopal Sirasani, B. Frank Gupton, Justina Burns, Daniel W. Cook, Rodger W. Stringham, Saeed Ahmad, Rudy Krack
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14738109.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Simplified Colloidal Method to Produce Nanostructured Au-Ag Films with Superconductivity in the Ambient

, Authors: Subham Kumar Saha, Rekha Mahadevu, Pritha Mondal, Anand Sharma, Navyashree Vasudeva, Anshu Pandey
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14739348.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Combined Ligand and Structure Based Approaches Towards Developing Novel Renin Inhibitors for the Treatment of Hypertension

, Authors: P Ambili Unni, S Sajitha Lulu, Girinath G Pillai
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14739423.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Two Simple and Reliable Metrics of Molecular Planarity: Molecular Planarity Parameter (MPP) and Span of Deviation from Plane (SDP)

, Authors: Tian Lu
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14740344.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells

, Authors: Hanna Türk, Franz-Philipp Schmidt, Thomas Götsch, Frank Girgsdies, Adnan Hammud, Danail Ivanov, Izaak C. Vinke, L.G.J. (Bert) de Haart, Rüdiger-A. Eichel, Karsten Reuter, Robert Schlögl, Axel Knop-Gericke, Christoph Scheurer, Thomas Lunkenbein
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14740425.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Linking Chemical Reaction Intermediates of the Click Reaction to Their Molecular Diffusivity

, Authors: Tian Huang, Bo Li, Huan Wang, Steve Granick
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14740563.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Bifunctional Copper Catalyst Enables Ester Reduction with H2: Expanding the Reactivity Space of Nucleophilic Copper Hydrides

, Authors: Birte Zimmermann, Trung Tran Ngoc, Dimitrios-Ioannis Tzaras, Trinadh Kaicharla, Johannes F. Teichert
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14730987.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Ender3 3D Printer Kit Transformed into Open, Programmable Syringe Pump Set

, Authors: Sander Baas, Vittorio Saggiomo
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14718183.v2
 
Subject: Chemistry
,
Working Paper
, Title:

GenUI: Interactive and Extensible Open Source Software Platform for De Novo Molecular Generation

, Authors: Martin Šícho, Xuhan Liu, Daniel Svozil, Gerard van Westen
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14685891.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Tunneling Mechanisms in Monolayer Graphene Modulated by Multiple Electrostatic Barriers

, Authors: Hassen Dakhlaoui, Walid Belhadj, Bryan Wong
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14703531.v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Potential Practical Process for Remdesivir

, Authors: Chen Liujuan, Guowei Zhang, Jinguang Liu, Jianye Jiao, Han Lin, Miao Wu, Xin Zhang, Liujuan Chen
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14709351.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost

, Authors: Tai-Sung Lee, Hsu-Chun Tsai, Abir Ganguly, Timothy J Giese, Darrin M. York
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14727573.v1
 
Subject: Earth and Environmental Sciences
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Working Paper
, Title:

WHY CIVILIZATIONS COLLAPSE?

, Authors: Mario Martin-Merino
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.33774/coe-2021-0vpcv
 
Subject: Chemistry
,
Working Paper
, Title:

Inverse Material Search and Synthesis Verification by Hand Drawings via Transfer Learning and Contour Detection

, Authors: Nikita Serov, Vladimir Vinogradov
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14742840.v1
 
Subject: Chemistry
,
Working Paper
, Title:

On-Surface Synthesis of Variable Bandgap Nanoporous Graphene

, Authors: Dingguan Wang, Arramel Arramel, Xuefeng Lu, Yang Ming, Jishan Wu, Andrew Wee
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14742879.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Azoacetylenes for the Synthesis of Arylazotriazole Photoswitches

, Authors: Patrick Pfaff, Felix Anderl, Moritz Fink, Moritz Balkenhohl, Erick Carreira
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14742945.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Tailoring Long-Range Superlattice Chirality in the Molecular Selfassemblies via Weak Fluorine-Mediated Interactions

, Authors: Mykola Telychko, Lulu Wang, Chia-Hsiu Hsu, Guangwu Li, Xinnan Peng, Shaotang Song, Jie Su, Feng-Chuan Chuang, Jishan Wu, Richard Ming Wah Wong, Jiong Lu
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14743116.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Advances of Non-Classical Crystallization Towards Self-Purification of Precious Metal Nanoparticles Mixtures

, Authors: Felizitas Kirner, Elena Sturm, Elena Sturm (née Rosseeva)
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14686260.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease

, Authors: Lewis Turner, Alexander Lund Nielsen, Lucy Lin, Antonio J. Campedelli, Nicholas Silvaggi, Jason Chen, Amanda E. Wakefield, Karen N. Allen, Kim janda
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14743893.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Morphogenesis of Magnetite Mesocrystals: Interplay Between Nanoparticle Morphology and Solvation Shell

, Authors: Julian Brunner, Britta Maier, Sabrina L. J. Thomä, Felizitas Kirner, Igor Baburin, Dmitry Lapkin, Rose Rosenberg, Sebastian Sturm, Dameli Assalauova, Jerome Carnis, Young Yong Kim, Zhe Ren, Fabian Westermeier, Sebastian Theiss, Horst Borrmann, Sebastian Polarz, Alexander Eychmüller, Axel Lubk, Ivan Vartanyants, Helmut Cölfen, Mirijam Zobel, Elena Sturm, Elena Sturm (née Rosseeva)
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14743914.v1
 
Subject: Chemistry
,
Working Paper
, Title:

“Refereeing Template”: A Guide to Writing an Effective Peer Review

, Authors: Curtis Berlinguette, Nathaniel Gabor, Yogesh Surendranath
Version undefined posted 08 June 2021
Posted
Jun 08, 2021
10.26434/chemrxiv.14723481.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of a Highly Potent and Selective Degrader Targeting Hematopoietic Prostaglandin D Synthase via in Silico Design

, Authors: Hidetomo Yokoo, Norihito Shibata, Akinori Endo, Takahito Ito, Yuta Yanase, Yuki Murakami, Kiyonaga Fujii, Yasushi Saeki, Mikihiko Naito, Kosuke Aritake, Yosuke Demizu
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14739486.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Computational Protocol Combining DFT and Cheminformatics for Prediction of pH-Dependent Redox Potentials

, Authors: Rocco Peter Fornari, Piotr de Silva
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14745282.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Would It Be Possible to Stabilize Prefusion SARS-COV-2 Spikes with Ligands?

, Authors: Lorenzo, M.M., Rafael Blasco, Julio Coll
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.13453919.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Accessing HIV-1 Protease Inhibitors through Visible-Light-Mediated Sequential Photocatalytic Decarboxylative Radical Conjugate Addition-Elimination–Oxa-Michael Reactions

, Authors: Tomislav Krolo, Aditya Bhattacharyya, Oliver Reiser
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14679702.v2
 
Subject: Chemistry
,
Working Paper
, Title:

3D Printed Multi Functional Ti6Al4V Based Hybrid Scaffold for the Management of Osteosarcoma

, Authors: Bianyun Cai, Leizhen Huang, Jingcheng Wang, dan Sun, Ce zhu, Yong Huang, Shujun Li, Zhijun Guo, Limin Liu, Ganjun Feng, Yubao Li, Li Zhang
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14679624.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Pyrrolinium-substituted Persistent Zwitterionic Ferrocenate Derivative Enabling the Application of Ferrocene Anolyte

, Authors: Hayoung Song, Giyun Kwon, Cooper Citek, Seungwon Jeon, Kisuk Kang, Eunsung Lee
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.12687416.v3
 
Subject: Chemistry
,
Working Paper
, Title:

Towards a Framework for Evaluating and Reporting Hansen Solubility Parameters: Applications to Nano and Micron Scale Particle Dispersions

, Authors: Shalmali Bapat, Stefan O. Kilian, Hartmut Wiggers, Doris Segets
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14258165.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Assisted Free Energy Simulation of Solution–Phase and Enzyme Reactions

, Authors: Xiaoliang Pan, junjie yang, Richard Van, Evgeny Epifanovsky, Junming Ho, Jing Huang, Jingzhi Pu, Ye Mei, Kwangho Nam, Yihan Shao
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14745510.v1
 
Subject: Chemistry
,
Working Paper
, Title:

3D Printed Multifunctional PEEK Bone Scaffold for Multimodal Treatment of Osteosarcoma and Osteomyelitis

, Authors: Ce zhu, Miaomiao He, dan Sun, Yong Huang, Leizhen Huang, Meixuan Du, Jingcheng Wang, Juehan Wang, Zhongyang Lin, Limin Liu, Yueming Song, Yubao Li, Ganjun Feng, Li Zhang
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14679750.v1
 
Subject: Chemistry
,
Working Paper
, Title:

On the State and Stability of Fuel Cell Catalyst Inks

, Authors: Shalmali Bapat, Christopher Giehl, Sebastian Kohsakowski, Volker Peinecke, Michael Schäffler, Doris Segets
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.13125401.v4
 
Subject: Chemistry
,
Working Paper
, Title:

DockOnSurf: A Python code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces

, Authors: Carles Marti, Sarah Blanck, Ruben Staub, Sophie Loehlé, Carine Michel, Stephan Steinmann
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14095699.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling Extreme Photoreduction Potentials of Donor-Acceptor Cyanoarenes to Access Aryl Radicals from Aryl Chlorides

, Authors: Jinhui Xu, Jilei Cao, Xiangyang Wu, Han Wang, Xiaona Yang, Xinxin Tang, Ren Wei Toh, Rong Zhou, Edwin K. L. Yeow, Jie Wu
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14747850.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Photolabile Fe Catalyst for Light-Triggered Alkyd Paint Curing

, Authors: Johan Bootsma, Wesley R Browne, Jitte Flapper, Bas de Bruin
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14748030.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of a Biomimetic Tetracyclic Precursor of Aspochalasins Allowing a Formal Synthesis of Trichoderone A

, Authors: Oscar Gayraud, Benjamin Laroche, Nicolas Casaretto, Bastien Nay
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14748840.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Substituent Effects on Transient, Carbodiimide-Fueled Geometry Changes in Diphenic Acids

, Authors: Isuru Jayalath, Madelyn Gerken, Georgia Mantel, Scott Hartley
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14749170.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Breaking Scaling Relationships in CO2 Reduction on Copper Alloys with Organic Additives

, Authors: Yunchieh Lai, Nicholas Watkins, Alonso Rosas-Hernández, Arnaud Thevenon, Gavin P. Heim, Lan Zhou, Jonas Peters, John Gregoire, Theodor Agapie
Version undefined posted 09 June 2021
Posted
Jun 09, 2021
10.26434/chemrxiv.14751534.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Simplified Tuning of Long-Range Corrected Density Functionals for Use in Symmetry-Adapted Perturbation Theory

, Authors: Montgomery Gray, John Herbert
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14751660.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Realizing Two-Dimensional Spin Arrays on Surfaces via Halogen-Bonding Molecular Self-Assembly

, Authors: Dingguan Wang, Zishen Wang, Shaofei Wu, Arramel Arramel, Xinmao Yin, Chi Sin Tang, YUANPING FENG, Jishan Wu, Andrew Wee
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14738892.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Colorimetric Determination of Bio-Ethanol Using Permanganate in Fermentation Samples

, Authors: Mohamed Abdelazim Abulela
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14743167.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Effect of the Mixture Composition of BmimBF4-Acetonitrile on the Excited State Relaxation Dynamics of a Solar Cell Dye D149: An Ultrafast Transient Absorption Study

, Authors: Nishith Maity, Piotr Piatkowski, Kamil Polok, Francois-Alexandre Miannay, Abdenacer Idrissi
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14744202.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Pseudocyclic Bis-N-Heterocycle-Stabilized Iodanes – Synthesis, Characterization and Applications

, Authors: Andreas Boelke, Soleicha Sadat, Enno Lork, Boris Nachtsheim
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14754525.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of Chameleonic Efficiency

, Authors: Laurent David, Mark Wenlock, Patrick Barton, Andreas Ritzén
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14748879.v1
 
Subject: Chemistry
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Working Paper
, Title:

Domino Suzuki-Miyaura Cross-Coupling and Oxidative Condensation Reaction: An Approach Towards Synthesis of Phenanthridine and Its Analogues

, Authors: Yasin Nuree, Jayanta Ray
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14754996.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Unimolecular, bimolecular and intramolecular hydrolysis mechanisms of 4-nitrophenyl β-D-glucopyranoside

, Authors: Amani Alhifthi, Spencer Williams
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.13735084.v8
 
Subject: Chemistry
,
Working Paper
, Title:

A General Approach to 2,2-Disubstituted Indoxyls: Total Synthesis of Brevianamide A and Trigonoliimine C

, Authors: Fan Xu, Myles Smith
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14750823.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Non-Innocent Radical Ion Intermediates in Photoredox Catalysis: Parallel Reduction Modes Enable Coupling of Diverse Aryl Chlorides

, Authors: Alyah Chmiel, Oliver P. Williams, Colleen Chernowsky, Charles Yeung, Zachary Wickens
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.26434/chemrxiv.14755134.v1
 
Subject: Politics and International Relations
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Working Paper
, Title:

Leadership Communication and Power: Measuring Leadership in the U.S. House of Representatives from Social Media Data

, Authors: Daniel Ebanks, Hao Yan, R. Michael Alvarez, Sanmay Das, Betsy Sinclair
Version undefined posted 10 June 2021
Posted
Jun 10, 2021
10.33774/apsa-2021-m4wls
 
Subject: Chemistry
,
Working Paper
, Title:

Biofunctionalisation of Gallium Arsenide with Neutravidin

, Authors: Barbara Santos Gomes, David Morgan, Wolfgang Langbein, Paola Borri, Francesco Masia
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14756190.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Self-Improving Photosensitizer Discovery System via Bayesian Optimization and Quantum Chemical Calculation

, Authors: Shidang Xu, Jiali Li, Pengfei Cai, Xiaoli Liu, Bin Liu, Xiaonan Wang
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14757975.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Production Cost and Carbon Footprint of Biomass-Derived Dimethylcyclooctane as a High Performance Jet Fuel Blendstock

, Authors: Nawa Raj Baral, Minliang Yang, Benjamin G. Harvey, Blake A Simmons, Aindrila Mukhopadhyay, Taek Soon Lee, Corinne Scown
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14761002.v1
 
Subject: Chemistry
,
Working Paper
, Title:

PhICl2 Is Activated by Chloride Ions

, Authors: Tania _, Tiffany Poynder, Aishvaryadeep Kaur, David Wilson, Jason Dutton
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14761431.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Simplified Procedures for Cellulase Filter Paper Assay

, Authors: Mohamed Abdelazim Abulela
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14761839.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Electro-mediated PhotoRedox Catalysis for Selective C(sp3)-O Cleavages of Phosphinates to Carbanions

, Authors: Xianhai Tian, Tobias Karl, Sebastian Reiter, Shahboz Yakubov, Regina de Vivie-Riedle, Burkhard Koenig, Joshua Barham
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14753523.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Convergent Azaspirocyclization of Bromoarenes with N-Tosylhydrazones by a Palladium Catalyst

, Authors: Aika Yanagimoto, Yota Uwabe, Qikun Wu, Kei Muto, Junichiro Yamaguchi
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14762478.v1
 
Subject: Chemistry
,
Working Paper
, Title:

First, Do Not Degrade - an Alternative View on Polymer Laser Sintering

, Authors: Arkadiusz Antończak, Mateusz Wieczorek, Paulina Dzienny, Bartłomiej Kryszak, Anna Krokos, Piotr Gruber, Michał Olejarczyk, Małgorzata Gazińska
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14754216.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-Organic Framework Glass Anode with an Exceptional Cycling-Induced Capacity Enhancement for Lithium Ion Batteries

, Authors: Chengwei Gao, Zhenjing Jiang, Peixing Wang, Lars Rosgaard Jensen, Yanfei Zhang, Yuanzheng Yue
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14745477.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Effective Removal of Water-Soluble Methylated Arsenic Contaminants with Phosphorene Oxide Nanoflakes: A DFT Study

, Authors: Kerry Wrighton-Araneda, Daniela E. Ortega, Diego Cortes-Arriagada
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14763075.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Protein-Based Platform for Purification, Chelation, and Study of Medical Radiometals: Yttrium and Actinium

, Authors: Gauthier Deblonde, Joseph A. Mattocks, Ziye Dong, Paul T. Wooddy, Joseph A. Jr. Cotruvo,, Mavrik Zavarin
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14763426.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Strongly Anisotropic Thermomechanical Response to Shock Wave Loading in Oriented Samples of the Triclinic Molecular Crystal 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB)

, Authors: Puhan Zhao, Matthew Kroonblawd, Nithin Mathew, Tommy Sewell
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14766414.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Effect of Hartree-Fock Exchange on Scaling Relations and Reaction Energetics for C–H Activation Catalysts

, Authors: Vyshnavi Vennelakanti, Aditya Nandy, Heather Kulik
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14766531.v1
 
Subject: Chemistry
,
Working Paper
, Title:

General, Straightforward, and Atom-Economical Synthesis of Vinyl Triflimides

, Authors: Lei Hao, Qianwen Pan, Congdi Zhang, Sen Wang, Weilin Wang, Junjie Zhang, Lu Bai, Youliang Wang
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14769195.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Photophysical Properties and Catalytic Activity of Ƙ3-SCS Pincer Palladium (II) Complex of N,N'-Di-Tert-Butylbenzene-1,3-Dicarbothioamide Supported by DFT Analysis

, Authors: Debasish Das, S. Kannan, Mukesh Kumar, Biswajit Sadhu, Liladhar B. Kumbhare
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14769693.v1
 
Subject: Chemistry
,
Working Paper
, Title:

New Materials Design Using Excitonic Quantum Effects: Applications for Fuel Cells, Catalysts, Superconductive and Bioactive Materials

, Authors: Vladimir B. Kopylov, Paul Leonard
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.26434/chemrxiv.14755380.v1
 
Subject: Economics
,
Working Paper
, Title:

TOURISM AND ECONOMIC DEVELOPMENT: CONCEPT, EVOLUTION AND VALIDITY

, Authors: Mario Martin-Merino
Version undefined posted 11 June 2021
Posted
Jun 11, 2021
10.33774/coe-2021-st1vm
 
Subject: Economics
,
Presentation
, Title:

Learning and Upgrading in Global Value Chains

, Authors: Sourish Dutta
Version undefined posted 12 June 2021
Posted
Jun 12, 2021
10.33774/coe-2021-vbw8m
 
Subject: Mathematics
,
Working Paper
, Title:

Mathematical Modelling of the Impact of Liquid Properties on Droplet Size from Flat Fan Nozzles

, Authors: Rachael Warrington
Version undefined posted 13 June 2021
Posted
Jun 13, 2021
10.33774/miir-2021-l3s5b
 
Subject: Mathematics
,
Working Paper
, Title:

Big Data in Sports: Predictive Models for Basketball Player's Performance

, Authors: Dae-Jin Lee, Garritt L. Page
Version undefined posted 13 June 2021
Posted
Jun 13, 2021
10.33774/miir-2021-h4x62
 
Subject: Mathematics
,
Working Paper
, Title:

IP for Scheduling Problem

, Authors: Sambeet Mishra, Agatha Msola, Dipal Shah
Version undefined posted 13 June 2021
Posted
Jun 13, 2021
10.33774/miir-2021-cf1t3
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Driven Many-Body Models Enable a Quantitative Description of Chloride Hydration from Clusters to Bulk

, Authors: Alessandro Caruso, Francesco Paesani
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14755449.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse Grain Force Field

, Authors: Luis Borges-Araújo, Paulo Souza, Fábio Fernandes, Manuel N. Melo
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14759991.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chloromethyl Acryl Reagents for Simple and Site-Selective Cysteine and Disulfide Modification

, Authors: Lujuan Xu, Seah Ling Kuan, Tanja Weil
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14769873.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Ball Milling Enabled Cross-Electrophile Coupling

, Authors: Andrew Jones, William I. Nicholson, Jamie Leitch, Duncan Browne
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14770740.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Visualizing Electron Beam-Capping Ligand Reactions for Controlled Nanoparticle Imaging with Liquid Phase Transmission Electron Microscopy

, Authors: Thilini Umesha Dissanayake, Mei Wang, Taylor Woehl
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14770797.v1
 
Subject: Chemistry
,
Working Paper
, Title:

An Ideal yet Highly Accurate Model Correlating Global Average Temperature to Excess CO2-Emissions

, Authors: Roland Hermann Pawelke
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14754291.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Chemotactic Supramolecular Nanoparticles: From Autonomous Surface Motion Following Specific Chemical Gradients to Multivalency-Controlled Disassembly

, Authors: Chiara Lionello, Andrea Gardin, Annalisa Cardellini, Davide Bochicchio, Manisha Shivrayan, Ann Fernandez, S Thayumanavan, Giovanni M. Pavan
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14770971.v1
 
Subject: Chemistry
,
Working Paper
, Title:

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings

, Authors: Jerome Eberhardt, Diogo Santos-Martins, Andreas Tillack, Stefano Forli
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14774223.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Fully Lignocellulose-Based PET Analogues for the Circular Economy

, Authors: Xianyuan Wu, Maxim Galkin, Zhuohua Sun, Katalin Barta
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14627745.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of a Novel Pyrano[2,3-C]pyrazole Enabling PKBβ/AKT2 Inhibitory and in Vitro Anti-Glioma Activity

, Authors: Ruturajsinh M. Vala, Vasudha Tandon, Lynden G Nicely, Luxia Guo, Yanlong Gu, Sourav Banerjee, Hitendra M Patel
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14774835.v1
 
Subject: Music
,
Poster
, Title:

Tone – Melody Matching in Chaozhou Songs: A Corpus Analysis

, Authors: Xi Zhang, Ian Cross
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.33774/coe-2021-l2930
 
Subject: Language and Linguistics
,
Poster
, Title:

Extending Parametric Comparison

, Authors: James Baker
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.33774/coe-2021-6lzqq
 
Subject: Language and Linguistics
,
Poster
, Title:

Can voice similarity be assessed using an automatic speaker recognition system?

, Authors: Linda Gerlach, Kirsty McDougall, Finnian Kelly, Anil Alexander
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.33774/coe-2021-dqwkx
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Dirhodium Artificial Metalloenzymes for Diazo Coupling Cascade Reactions

, Authors: David M. Upp, Rui Huang, Ying Li, Maxwell J. Bultman, Benoît Roux, Jared C. Lewis
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14774898.v1
 
Subject: Language and Linguistics
,
Poster
, Title:

Mental Representation of Kunming Chinese Tone Sandhi: Episodic or Abstract?

, Authors: Xiyuan Li
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.33774/coe-2021-qb6r2
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Nine Longiborneol Sesquiterpenoids Using a Functionalized Camphor Strategy

, Authors: Robert F. Lusi, Goh Sennari, Richmond Sarpong
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14774919.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Thionation of a Fluorescent Thieno[3,4-d]pyrimidine Derivative for the Development of a Heavy-Atom-Free Photosensitizer

, Authors: Luis A. Ortiz-Rodríguez, Ye-Guang Fang, Germain Niogret, Kaivin Hadidi, Yitzhak Tor, Ganglong Cui, Carlos Crespo-Hernández
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14775096.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Density Functional Theory Investigation of the Reaction of Water with Ce2O-

, Authors: Hassan Harb, Hrant Hratchian
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.13041710.v3
 
Subject: Chemistry
,
Working Paper
, Title:

Artifact Peaks Due to Minor Decomposition of Sample Diluent DMSO in Head Space-GC Analysis: Mass Spectrometric Investigation Using Deuterated DMSO and Quadrupole Time-of-Flight Mass Detection

, Authors: Jinsheng Lin, Qiang Zhou, Jun Wang, Dandan Tang, Wenquan Zhu, Wenbin Chen, Qiangming Li, Yan Zhu, Min Li
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14776473.v1
 
Subject: Chemistry
,
Working Paper
, Title:

In Situ-Formed Cobalt Nanoparticles Embedded Within Carbonaceous Matrix as Highly Efficient and Selective Catalysts for the Hydrogenation of Nitroarenes

, Authors: Xiuzheng Zhuang, Jianguo Liu, Shurong Zhong, Longlong Ma, 修政 庄
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.26434/chemrxiv.14776449.v1
 
Subject: Management
,
Working Paper
, Title:

The Royal Site of San Lorenzo de El Escorial : problems, areas or improvement and sustainable tourism development (part 1)

, Authors: Mario Martin-Merino
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.33774/coe-2021-1p4bw
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Democratic accountability in a crisis: Analysing evaluations of government response to COVID-19 in a multi-nation state

, Authors: James Griffiths, Jac Larner
Version undefined posted 14 June 2021
Posted
Jun 14, 2021
10.33774/apsa-2021-p1dpl
 
Subject: Chemistry
,
Working Paper
, Title:

Viewpoint: Reply to Comment on 'Using NMR to Test Molecular Mobility During a Chemical Reaction'

, Authors: Tian Huang, Huan Wang, Steve Granick
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14766849.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Blood, Sweat and Tears: Extraterrestrial Regolith Biocomposites with in Vivo Binders

, Authors: Aled Roberts, Dominic Whittall, Rainer Breitling, Eriko Takano, Jonny J. Blaker, Sam Hay, Nigel S. Scrutton
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14769369.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Catalysis for the Reductive Amination of Furfural Towards Furfurylamine by the Graphene-Co-Shelled Cobalt Nanoparticles

, Authors: Xiuzheng Zhuang, Jianguo Liu, Shurong Zhong, Longlong Ma, 修政 庄
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14776458.v1
 
Subject: Chemistry
,
Working Paper
, Title:

AIE-Active Poly(phenyleneethynylene)s for Fluorescence and Raman Dual-Modal Imaging and Drug-Resistant Bacteria Killing

, Authors: xiang su, ruihua liu, Ying Li, Ting Han, Zhijun Zhang, Niu Niu, Miaomiao Kang, shuang fu, Dong Wang, Ben Zhong Tang
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14776893.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Momentum Removal to Obtain the Position-Dependent Diffusion Constant in Constrained Molecular Dynamics Simulation

, Authors: Kazushi Fujimoto, Tetsuro Nagai, Tsuyoshi Yamaguchi
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14776965.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Shortcut Method for Initialization of Dividing Wall Columns and Estimating Pareto-Optimal NQ-curves

, Authors: Lena-Marie Ränger, Thomas Grützner
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14778153.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Density of Phonon States in Cubic Ice Ic

, Authors: Leonardo del Rosso, Milva Celli, Daniele Colognesi, Svemir Rudic, Niall J. English, Lorenzo Ulivi
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14769987.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Uptake, Trapping, and Release of Organometallic Cations in Redox-Active Cationic Hosts

, Authors: Iram F. Mansoor, Kaitlyn Dutton, Daniel A. Rothschild, Richard C. Remsing, Mark C. Lipke
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14778147.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Fast Prediction of Distances Between Synthetic Routes with Deep Learning

, Authors: Samuel Genheden, Ola Engkvist, Esben Jannik Bjerrum
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14778150.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A New Perspective for Nonphotochemical Quenching in Plant Antenna Complexes

, Authors: Edoardo Cignoni, Margherita Lapillo, Lorenzo Cupellini, Silvia Acosta Gutierrez, Francesco Luigi Gervasio, Benedetta Mennucci
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14778270.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Boroxine and Dioxaborole Covalent Organic Frameworks via Transesterification and Metathesis of Pinacol Boronates

, Authors: Ehsan Hamzehpoor, Antranik Jonderian, eric mccalla, Dmitrii F. Perepichka
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14779089.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Evaluation of an Integrated Growth & Goals Module to Better Equip Students with Learning Skills in Postsecondary Courses: Systematic, Scalable, and Explicit

, Authors: Emily K. O'Connor, Kevin Roy, Ellyssa Walsh, Denzel Huang, Danny Yu Jia Ke, Elizabeth Campbell Brown, Katherine A. Moreau, Alison B. Flynn
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.13543130.v2
 
Subject: Language and Linguistics
,
Poster
, Title:

Voice parade parameters: Investigating the effect of parade size and voice sample duration on earwitness identification accuracy.

, Authors: Alice Paver, Harriet M. J. Smith, Nikolas Pautz, Kirsty McDougall, Katrin Mueller-Johnson, Francis Nolan
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.33774/coe-2021-q8thq
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Gatekeeper Discovery: Workflow for Linking Multiple Environmental Biomarkers to Metabolomics

, Authors: Miao Yu, Susan Teitelbaum, Georgia Dolios, Lam-Ha Dang, Peijun Tu, Mary Wolff, Lauren Petrick
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14781498.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Holistic Evaluation of Biodegradation Pathway Prediction: Assessing Multi-Step Reactions and Intermediate Products

, Authors: Jason Tam, Tim Lorsbach, Sebastian Schmidt, Jörg Wicker
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14315963.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Using Sound to Synthesize Covalent Organic Frameworks in Water

, Authors: Wei Zhao, Peiyao Yan, Haofan Yang, Mounib Bahri, Alex James, HONGMEI CHEN, Lunjie Liu, Boyu Li, Zhongfu Pang, Rob Clowes, Nigel D. Browning, John W. Ward, Yue Wu, Andrew I. Cooper
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14781546.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.

, Authors: Chamandi Dampalla, Athri D. Rathnayake, Krishani Dinali Perera, Abdul-Rahman M. Jesri, Harry Nhat Nguyen, Matthew J. Miller, Hayden A. Thurman, Jian Zheng, Maithri Kashipathy, Kevin P. Battaile, Scott Lovell, Stanley Perlman, Yunjeong Kim, William C. Groutas, Kyeong-Ok Chang, Chamandi Shashikala Dampalla Gamachchige
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14781567.v1
 
Subject: Chemistry
,
Working Paper
, Title:

[Co(TPP)]–Catalyzed Carbene Transfer from Acceptor–Acceptor Iodonium Ylides via N-enolate Carbene Radicals

, Authors: Roel F.J. Epping, Mees M. Hoeksma, Eduard O. Bobylev, Simon Mathew, Bas de Bruin
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14781855.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Convenient Synthesis of Dithiolane and Benzyloximates Derivatives for Ligand Studies

, Authors: Sudershan Reddy Gondi, Michael B. Jacobsson, Chinwon Rim, David Y. Son
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14776350.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Mixing and Flow-Induced Silk Fibroin Self-Assembly in Microfluidic and Semi-Batch Nanoprecipitation

, Authors: Saphia A. L. Matthew, Refaya Rezwan, Yvonne Perrie, F. Philipp Seib
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14778393.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Guided Design of Conformationally-Constrained Cyclohexane Inhibitors of SARS-CoV-2 3CL Protease

, Authors: Chamandi Dampalla, Yunjeong Kim, Naemi Bickmeier, Athri D. Rathnayake, Harry Nhat Nguyen, Jian Zheng, Maithri Kashipathy, Matthew A. Baird, Kevin P. Battaile, Scott Lovell, Stanley Perlman, Kyeong-Ok Chang, William C. Groutas, Chamandi Shashikala Dampalla Gamachchige
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14781690.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Characterization, and Biological Activity of Oxidovanadium(IV) Hydroxamate Complexes Supported by Density Functional Theory

, Authors: Sonika Sharma, Debasish Das, Biswajit Sadhu, Neeraj Sharma
Version undefined posted 15 June 2021
Posted
Jun 15, 2021
10.26434/chemrxiv.14781945.v1
 
Subject: Language and Linguistics
,
Poster
, Title:

Designing and Building the Brazilian Spoken English Learner (BraSEL) Corpus

, Authors: Mateus Miranda
Version undefined posted 16 June 2021
Posted
Jun 16, 2021
10.33774/coe-2021-gp2dm
 
Subject: Computer Science
,
Poster
, Title:

A Dataset for Multi-party Collaboration

, Authors: Georgi Karadzhov, Tom Stafford, Andreas Vlachos
Version undefined posted 16 June 2021
Posted
Jun 16, 2021
10.33774/coe-2021-88zp7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing the dosing and trickling of nutrient media for thermophilic biomethanation in a biotrickling filter

, Authors: Muhammad Tahir Ashraf, Lars Yde, Jin Mi Triolo, Henrik Wenzel
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-6hd5g
 
Subject: Chemistry
,
Working Paper
, Title:

Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst

, Authors: Gustavo Cardenas, Ivan Trentin, Ludwig Schwiedrzik, David Hernández-Castillo, Grace A. Lowe, Julian Kund, Christine Kranz, Sarah Klingler, Robert Stach, Boris Mizaikoff, Philipp Marquetand, Juan J. Nogueira, Carsten Streb, Leticia González
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-7w62s
 
Subject: Chemistry
,
Working Paper
, Title:

Wildfire-derived pyrogenic carbon modulates riverine organic matter and biofilm enzyme activities in an in-situ flume experiment

, Authors: Lukas Thuile Bistarelli, Caroline Poyntner, Cristina Santín, Stefan H. Doerr, Matthew V. Talluto, Gabriel Singer, Gabriel Sigmund
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-gj27q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Allenic Phosphonium Borate Zwitterions via a Transient Phosphonium Allenylidene

, Authors: Lucas Torres, Roman Dobrovetsky, Christopher Caputo
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-lq04x
 
Subject: Chemistry
,
Working Paper
, Title:

A computational study of the properties of low- and high-index Pd, Cu and Zn surfaces

, Authors: Lara Kabalan, Igor Kowalec, Richard Catlow, Andrew Logsdail
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-mskkc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Real-time Prediction of 1H and 13C Chemical Shifts with DFT accuracy using a 3D Graph Neural Network

, Authors: Yanfei Guan, Shree Sowndarya SV, Liliana Gallegos, Peter St. John, Robert Paton
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-zmp0l
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative Analysis of Plasmonic Metal Oxide Nanocrystal Ensembles Reveals the Influence of Dopant Selection on Intrinsic Optoelectronic Properties

, Authors: Bharat Tandon, Stephen Larken Gibbs, Benjamin Zydlewski Z., Delia J. Milliron
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-wqfvx
 
Subject: Chemistry
,
Working Paper
, Title:

Building Machine Learning Force Fields of Proteins with Fragment-Based Approach and Data Transfer

, Authors: Zheng Cheng, Jiahui Du, Lei Zhang, Jing Ma, Wei Li, Shuhua Li
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-d3k50-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled Experiments and Optimized Theory of Absorption Spectra of Li Metal and Salts

, Authors: Subhayan Roychoudhury, Zengqing Zhuo, Ruimin Qiao, Liwen Wan, Yufeng Liang, Feng Pan, Yi-de Chuang, David Prendergast, Wanli Yang
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-54b6h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

SBMOpenMM: A Builder of Structure-Based Models for OpenMM

, Authors: Martin Floor
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-vhp3n-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Special feature of COVID-19 in FMODB: Fragment molecular orbital calculations and interaction energy analysis of SARS-CoV-2 related proteins

, Authors: Kaori Fukuzawa, Koichiro Kato, Chiduru Watanabe, Yusuke Kawashima, Yuma Handa, Ami Yamamoto, Kazuki Watanabe, Tatsuya Ohyama, Kikuko Kamisaka, Daisuke Takaya, Teruki Honma
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-njqc8
 
Subject: Chemistry
,
Working Paper
, Title:

A Linear "Head-to-Tail" Chlorido-Bridged Didysprosium Single-Molecule Magnet Exhibiting 100-s Blocking Temperature near 8 K

, Authors: Xia-Li Ding, Yuan-Qi Zhai, Qian-Cheng Luo, Chao Wu, Yan-Zhen Zheng
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-ngqfl
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of divalent cations in the protein crystallization process assisted by Lanthanide-based additives.

, Authors: Olivier Maury, Romain Talon, Zaynab Alsalman, Sylvain Engilberge, Eric Girard, Anthony D'Aléo, Amandine Roux, Sebastiano Di Pietro, Adeline Robin, Alessio Bartocci, Guillaume Pilet, Elise Dumont, Tristan Wagner, Seigo Shima, François Riobé
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-fv0d1
 
Subject: Chemistry
,
Working Paper
, Title:

Radical alpha-Trifluoromethoxylation of Ketones by Means of Organic Photoredox Catalysis

, Authors: Luca Dell'Amico, Thibaut Duhail, Tommaso Bortolato, Javier Mateos, Elsa Anselmi, Benson Jelier, Antonio Togni, Emmanuel Magnier, Guillaume Dagousset
Version undefined posted 18 June 2021
Posted
Jun 18, 2021
10.26434/chemrxiv-2021-w1p6g
 
Subject: Language and Linguistics
,
Poster
, Title:

An online course of Russian coronal obstruents for non-native speakers

, Authors: Daria Dashkevich, Mathias Nowak
Version undefined posted 19 June 2021
Posted
Jun 19, 2021
10.33774/coe-2021-mnlrl-v2
 
Subject: Management
,
Working Paper
, Title:

The Royal Site of San Lorenzo de El Escorial : problems, areas or improvement and sustainable tourism development (part 2)

, Authors: Mario Martin-Merino
Version undefined posted 19 June 2021
Posted
Jun 19, 2021
10.33774/coe-2021-tbp0t
 
Subject: Law
,
Working Paper
, Title:

TAXATION OF THE DIGITAL ECONOMY IN NIGERIA: THE POST-COVID WORLD

, Authors: Mariam Yahaya
Version undefined posted 19 June 2021
Posted
Jun 19, 2021
10.33774/coe-2021-pqdbd
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Conference Opening

, Authors: Emily Shuckburgh, Alok Sharma MP, Patrizia Lombardi, Roberto Cingolani
Version undefined posted 20 June 2021
Posted
Jun 20, 2021
10.33774/coe-2021-prfr1
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Climate Risk

, Authors: Emily Shuckburgh, Albert Klein Tank, Tim Benton, Peter Bruce
Version undefined posted 20 June 2021
Posted
Jun 20, 2021
10.33774/coe-2021-657xp
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Solution stars - Mitigation solutions for green recovery

, Authors: Agota Mockute, Alessandra Zanoletti, Chloe Foster, Claire Holland, Emanuela Melis, Jason Hallett, Joan Marc Rodriguez Benuz, Jorge Sainz, Mariangela Rosano, Milena Buchs, Ofonime Harry, Patricia Thornley, Sergey Kolesnikov, Wladmir Motta, Ying Zhou
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-pk97p
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Primer on the climate negotiations/COP26

, Authors: Beth Martin, Tracy Bach, Axel Michaelowa, Melissa Low
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-p0wc8
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Opening (Policy): Global perspectives on a responsible green recovery

, Authors: Dan Parsons, Chris Skidmore MP, Louise Smith, Ron Loveland, Sharan Burrow, Simon Kemp
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-r3ssf
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Closing (Policy): Opportunity & finance roundtable

, Authors: Aled Jones, Lucia Alessi, Mark Grobmyer, Monica Billio, Neha Kumar, Tom Kerr
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-px0w3
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Conference Closing Remarks

, Authors: Alyssa Gilbert, Nigel Topping, Roberto Buizza
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-cjqc2
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Conference Closing Panel Discussion

, Authors: Emily Shuckburgh, Lord Deben, Tamsin Edwards, Brighton Kaoma
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-ngdc2
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Localising the Circular Economy: short green value chains for protecting the environment while catering for a growing population

, Authors: Alex Venuto, Anantha Krishnan, Camilla Weem, Edmundo Werna, Phil Prentice
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-qjck3
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

The road to COP26 - developing the Paris Agreement Rulebook

, Authors: Fabiano de Correa, Petra Minnerop, Nilufer Oral, Christina Voigt
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-h15c7
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

RINGO: Q&A on conference topics and their role at COP26

, Authors: Tracy Bach, Melissa Low, Beth Martin, Axel Michaelowa
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-zm6dw
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Green bonds & novel financial instruments

, Authors: Andrew Davis, Anjana Nambiar, Benedict Probst, Costanza Torricelli, Devika Rose Roy, Federica Agostini, Mia Sannapureddy, Ellen Quigley, Ulrich Volz
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-mnqlq
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Macropolicy

, Authors: Charlie Larkin, Igor Shishlov, John Morris, Sarah Hafner, Simon Dikau, Theodor Cojoianu
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-hp84b
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Climate law & governance

, Authors: Freedom-Kai Phillips, Tejas Rao, Marie-Claire Cordonier Segger, Christina Voigt, Mrinalini Shinde, Chantalle Byron, Hafij Khan, Ayman Cherkaoui, Barbara Janusz-Pawletta, Douglas Leys, Sumudu Atapattu, Anusheh Fawad, Francesco Sindico, Alexandra Harrington
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-42f72
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Access to finance

, Authors: Toby McCoy, Md Mofakkarul Islam, Luciano Pana Tronca, Aglaja Espelage, Valerie Fowles, Ellen Quigley, Akaraseth Puranasamriddhi
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-qfn8z
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Disclosure & risk management

, Authors: Daniel Beunza, Kira Henshaw, Matthew Agarwala, Sarah Perkins-Kirkpatrick, Stefano Battiston, Tanya Fiedler, Wei Zhu, Emily Bugden, Mia Sannapureddy, Carmine Trecroci
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-1g1f3
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Opening (Policy): Risk & finance roundtable

, Authors: Irene Monasterolo, Joseph Noss, Laura Parisi, Nicola Ranger, Stefano Battiston
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-j2lnc
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Closing (Policy): Building international partnerships to support and achieve adaptation and resilience

, Authors: David Mfitumukiza, María del Pilar Bueno Rubial, Nicola Ranger, Rosalind West, Saleemul Huq, Patrizia Lombardi
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-8jd98
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

The Climate Adaptation Challenge: How can government, academia and wider society work together to support the UK’s domestic adaptation objectives?

, Authors: Amanda Crossfield, Catherine Gamper, Keith Jones, Suraje Dessai, Tom Handysides, Gideon Henderson
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-sb4t0
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Live poster session 4: Physical Science, Adaptation and Resilience: Current Risks, Early Warning Systems and Adaptation Finance

, Authors: Annika Heike Stechemesser, Daniela Anghileri, Gianpaolo Balsamo, Graham Wood, Lauro Rossi, Ana Raquel Nunes, Emily Black
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-xs8cp
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Accelerating Adaptation in the Global South

, Authors: Ana Maria Loboguerrero, Christopher Gordon, Lindsay Stringer, Mahua Mukherjee, Riccardo Valentini, Siyabusa Mkuhlani, Rob Marchant
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-4q5wx
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Student session: The Importance of Locally-led Adaptation and Resilience in the face of Climate Change

, Authors: Jake Causley, Denyse Dookie, Aliya Sembayeva, Cyril Effiong, Anke De Boer, Ulfath Ibrahim, Salisu Uba
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-25z3d
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Climate resilient universities for resilient communities

, Authors: Alex Wright, Jeremy Collymore, David Smith, Patrício Langa, Eduardo Mondlane
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-qpjmx
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Adapting robustly to climate change

, Authors: Debra Roberts, Fausto Manes, Ian Townend, Jane Weru, Jochen Hinkel, Lucy Waruingi, Mario Losasso, Marjolijn Haasnoot, Maurizio Tira, Melissa Leach, Stéphane Hallegatte, Jane Hill, Musonda Mumba
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-jt8h6
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Building resilience into the future: Adaptation and Resilience

, Authors: Adrian Healy, Aoife Brophy Haney, Christina Vanderwel, Katie McQuaid, Samantha Francis, Beenish Siddique
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-wgc5r
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Live poster session 3: Mainstreaming Adaptation in the Global South

, Authors: Andrew Challinor, Carl Schleussner, Karen McNamara, Kate Crowley, Rob Marchant, Sessen Daniel Iohannes
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-t6l64
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Enablers and barriers to the practice of adaptation - from mainstreaming to transformation

, Authors: Anna Scolobig, Enrico Ferrero, Kate Lonsdale, Kit England, Paul Watkiss
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-1np41
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Live poster session 2: Adapting robustly to climate change

, Authors: Karl Dudman, Lorenzo Alfieri, Mark Pelling, Stewart Mottram, Justin Sheffield
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-r9gml
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Live poster session 1: Enablers and barriers to practice and adaptation

, Authors: Andrew Tyler, Emma Ferranti, Katie Jenkins, Nigel Arnell, Seunghan Lee, Suraje Dessai, YoungHwa Cha
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-rwlq6
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Physical Science, Adaptation and Resilience: Current Risks, Early Warning Systems and Adaptation Finance

, Authors: Carlo Cacciamani, Douglas Parker, Emma Visman, Emmah Mwangi, Jonathan Gascoigne, Piero Di Carlo, Emily Black
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-wk54l
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Opening (Policy): Adaptation and Resilience challenges in the COP26 Meeting

, Authors: Andrew Collins, Anne-Marie Trevelyan, Jim Hall, Maarten van Aalst, Maria Cristina Messa, Sarah Webb
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-0208c
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Low carbon cities: planning and data

, Authors: Arminel Llovel, Gabriel Lanfranchi, Laura Parry, Luciano Pana Tronca, Mark Atherton
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-ls1n0
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Closing (Policy): Policies for delivering CoP26 mitigation objectives

, Authors: Yvon Slingenberg, Jim Watson, Laura Anadon, Frances Fuller, Hana Chambers, Dan Bilello, Manuel Pulgar Vidal
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-qf96f
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Carbon markets for increasing international ambition

, Authors: Frank Convery, Simone Borghesi, Stefano Verde, Carmine Trecroci, Emily Wimberger
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-09mtg
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Public support for climate action

, Authors: Anthony Leiserowitz, Kat Steentjes, Ruth Townend, Stephen Fisher, Wouter Poortinga
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-pp2jd
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Green transportation

, Authors: Enrico Giovannini, Jillian Anable, Nishatabbas Rehmatulla, Robert Miller, Siobhan Campbell
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-jn5mb
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Universities and the race to net zero

, Authors: Carina Mutschele, Marlon C. Pareja, José Alejandro Martínez Sepúlveda, James Longhurst, Izael da Silva
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-rgrl2
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Engaging people as agents of change

, Authors: Anna Davies, Charlie Wilson, Ilona Otto, Lorraine Whitmarsh, Richard Munang
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-csn7k
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Student session - Is it too late to mitigate climate change? What can you do?

, Authors: Jake Causley, Anne Velenturf, Joshua Williams, Alessia Abbati, Ben Fisher, Collette Larkin, Favour Onyenma, Hannah Doran, Isabel Smith
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-pzfdr
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Decarbonising transport in cities

, Authors: Felix Creutzig, Karen Vancluysen, Manos Chaniotakis, Rachel Aldred
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-q397q
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Managing transition risks on the road to net-zero

, Authors: Anthony Afful-Dadzie, Andreas Löschel, Catherine Newman, Frank Geels, Rachel Freeman, Ted Christie-Miller
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-mh2dj
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Decarbonising electricity systems

, Authors: Charlotte Higgins, Christian Schaefer, Juan Carlos Araneda, Keith Bell, Ronald Marais
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-z653k
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Strategies for net zero

, Authors: Harriet Thew, Lucy Martin, Rebecca Ford, Thomas Hale, Jessica Omukuti
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-2h3z8
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

New evidence on mitigation solutions

, Authors: Jenny Nelson, Christina Xiao, Matthias Honegger, Michelle DeFreese, Michelle Cain, Thea Jung
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-59ljw
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Youth advocacy and campaigning in the lead up to COP26

, Authors: Serena Bashal, Tom Wilson
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-r8sqh
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Carbon Dioxide Utilisation: Policy Insights from the Cutting Edge

, Authors: Katy Armstrong, Andrea Ramirez, Colin Hills, Peter Styring, Walter Leitner
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-s82l8
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

The mitigation landscape: demand, supply, and systems

, Authors: Jim Skea, Joyashree Roy, Shaun Fitzgerald, Valentina Bosetti
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-9pvbg
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Opening (Policy): A new perspective on the global energy transition

, Authors: Cameron Hepburn, Fu Sha, Henry Snaith, Michael Grubb, Radhika Khosla, Simon Sharpe
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-2pxwm
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Climate Finance and Offsetting: investments in NbS and new financial mechanisms

, Authors: Cécile Girardin, Jonathan Goldberg, Léna Prouchet, Eli Mitchell-Larson, Susan Chomba
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-rfp36
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Nature-based Solutions Research Showcase 1

, Authors: Rob Marchant, Alejandro Guizar Coutiño, Anne-Kathrin Weber, David Barnes, Fabrice DeClerck, Fulvio Boano, Sarobidy Rakotonarivo
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-q9s26
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

You're surrounded! Regionally led, globally relevant, nature-based solutions of water

, Authors: Chris Clements, Isabelle Durance, James Dyke, Jannis Wenk, Emily Wimberger
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-sqxxh
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Scaling up protection, restoration and connection of key ecosystems across UK landscapes

, Authors: Ben Wheeler, Carolyn Cadman, David Coomes, Edvard Glücksman, Stuart Roberts
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-kctcl
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Student session - Nature for planet and people: the importance of preserving and regenerating natural systems for both climate and human wellbeing

, Authors: Jake Causley, Faye Davies, Frances Ifeoma Ukonze, Janet Jackson, Maria Merce Pomares Palau, Pete Smith
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-rpcgp
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Dialogue: Implementing NbS across landscapes and seascapes 2

, Authors: Alexandre Chausson, Felix Eigenbrod, Hugo Tagholm, Raj Whitlock, Sandy Tudhope, Viola Heinrich
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-m8zn8
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

NbS in International cooperation and climate policy

, Authors: Alessandro Melis, Francesco Tubiello, Harriet Bulkelely, Rosa Morales, Tamsin Ballard
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-27d42
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Treescape: Building resilience into the future

, Authors: Ashley Hardaker, Chris Pollard, Clive Potter, Emma Gardner, Emma Ferranti, Julie Urquhart, Pietro Piana
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-bt1vx
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Climate Risk to Society

, Authors: Emily Shuckburgh, Swenja Surminski, Elizabeth Robinson, Simon Lewis
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-fbzmx
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Capacity Building and Knowledge Transfer for Nature-based Solutions

, Authors: Alison Park, Claudia Rowse, Dave Reay, Dhanush Dinesh, Zainab Zahid
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-bxt57
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Live talk/Debate: Nature-based solutions to address societal challenges

, Authors: Nathalie Seddon, Peninah Murage, Roberto Buizza, Gideon Henderson
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-nv785
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Opening (Policy): Welcome & Introductions - Nature-based solutions and the opportunities they offer

, Authors: Emily Shuckburgh, Emma Howard Boyd, Zac Goldsmith MP
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-bvtj0
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Implementing NbS across landscapes and seascapes

, Authors: Lera Miles, Pete Smith, Rick Stafford, Sue Page, Michael Morecroft, William Austin
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-xd6zw
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Delivering green recovery and just transition in the context of rapid technological change

, Authors: Sanna Markkanen, Hector Pollitt, Jasper Van Loo, Martin Porter
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-8f2h3
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Closing (Policy): The role of 'local' in delivering a Green Economic Recovery. Policy insights for the UK and beyond.

, Authors: Rebbeca Ford, Meggan Spires, Neil Jennings, Polly Billington, Fraser Stewart
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-s05zl
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Place-based solutions

, Authors: Birgit Georgi, Henrietta Moore, Jo Mylan, Lynda Wookey, Peter Taylor
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-ljgtd
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Socially equitable green recovery

, Authors: Julia Wdowin, Melea Press, Timothy Foxon, Wai Lok Cheung, Steven Forrest
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-pbldn
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Student session - Leaving no-one behind: Ensuring a just green recovery post-COVID-19 in the Global North and Global South

, Authors: Jake Causley, Morgan King, Bea Stevenson, Ted Boetner, Kopal Agrawal
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-qpnmw
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Engagement and Participation

, Authors: Amy Munro-Faure, Chamu Kuppuswamy, Dan Clay, Malaika Cunningham, Rebecca Willis, Stephen Elstub
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-ncpnp
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Economy-wide impacts of green recovery

, Authors: Catherine Cameron, Cristina Peñasco, Daniele Malerba, Piers Forster, Stijn van Hummelen
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-w7b7t
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Inclusivity in green recovery

, Authors: Carol Cohn, Claire Duncanson, Julian Corres, Katherine Lee, Laura Sandys, Marcelo Alejandro Corti, Miriam Kennet, Ruth McKie
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-v5md1
 
Subject: Earth and Environmental Sciences
,
Presentation
, Title:

Green recovery investments and entrepreneurship

, Authors: Iain Todd, Lorena Cordero, Marina Andrijevic, Rob McMongle, Silke Schmidt
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/coe-2021-16vq7
 
Subject: Chemistry
,
Working Paper
, Title:

Unsupervised Machine Learning for Unbiased Chemical Classification in X-ray Absorption Spectroscopy and X-ray Emission Spectroscopy

, Authors: Samantha Tetef, Niranjan Govind, Gerald Seidler
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-5tvrv
 
Subject: Chemistry
,
Working Paper
, Title:

A Localized Enantioselective Catalytic Site on Short DNA Sequences and their Amphiphiles

, Authors: Jun Guo, Danyu Wang, Evangelia Pantatosaki, Huihui Kuang, George Papadopoulos, Michael Tsapatsis, Efrosini Kokkoli
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-dvzv1
 
Subject: Chemistry
,
Working Paper
, Title:

E2EDNA: Simulation Protocol for DNA Aptamers with Ligands

, Authors: Michael Kilgour, Tao Liu, Brandon Walker, Pengyu Ren, Lena Simine
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-v9rzc
 
Subject: Chemistry
,
Working Paper
, Title:

Estimating the cooperativity of PROTAC-induced ternary complexes using 19F NMR displacement assay

, Authors: Guilherme Castro, Alessio Ciulli
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-zj19k
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of deamidation on the structure and function of anti-apoptotic Bcl-xL.

, Authors: Gamze Tanriver, Gerald Monard, Saron Catak
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-308fg
 
Subject: Chemistry
,
Working Paper
, Title:

Metathesis Cascade-Triggered Depolymerization of Enyne Self-Immolative Polymers

, Authors: Jingsong Yuan, Gavin Giardino, Jia Niu
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-pj8fb
 
Subject: Chemistry
,
Working Paper
, Title:

2-Diphenylphosphinoyl-acetyl as a remote directing group for the highly stereoselective synthesis of β-glycosides

, Authors: Xianglai Liu, Yetong Lin, Qianhui Sun, Huiyong Sun, Peng Xu, Guolong Li, Yingying Song, Weijia Xie, Haopeng Sun, Biao Yu, Wei Li
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-120hj
 
Subject: Chemistry
,
Working Paper
, Title:

Dual stimuli-responsive dynamic covalent peptide tags: Towards sequence-controlled release in tumor-like microenvironments

, Authors: Maksymilian M. Zegota, Michael Andreas Müller, Bellinda Lantzberg, Gönül Kizilsavas, Jaime A. S. Coelho, Pierpaolo Moscariello, María Martínez-Negro, Svenja Morsbach, Pedro M. P. Gois, Manfred Wagner, David Y. W. Ng, Seah Ling Kuan, Tanja Weil
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-8gznz
 
Subject: Chemistry
,
Working Paper
, Title:

Development and Evaluation of a Synthetic Opioid Targeted Gas Chromatography Mass Spectrometry (GC-MS) Method

, Authors: Edward Sisco, Amber Burns, Arun Moorthy
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.26434/chemrxiv-2021-0pcnq
 
Subject: Politics and International Relations
,
Working Paper
, Title:

A Study for Improving Youth Voter Participation

, Authors: Claire Zhu
Version undefined posted 21 June 2021
Posted
Jun 21, 2021
10.33774/apsa-2021-2lpj8
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Vanadium Substitution on the Ni-Site in P2-Type Na0.67Ni0.33Mn0.67O2 in Optimized Carbonate Ester Electrolytes as Cathode for Sodium-Ion Batteries

, Authors: Debanjana Pahari, Sreeraj Puravankara
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-wcbvm
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Local Chemical Environment of Bioelectrocatalysis

, Authors: Esther Edwardes Moore, Samuel Cobb, Ana Margarida Coito, Ana Rita Oliveira, Ines Pereira, Erwin Reisner
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-vnk07
 
Subject: Chemistry
,
Working Paper
, Title:

Homogeneous hydrogenation of saturated bicarbonate slurry to formates using multiphase catalysis

, Authors: Christophe Rebreyend, Evgeny Pidko, Georgy Filonenko
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-rsrqb
 
Subject: Chemistry
,
Working Paper
, Title:

Site-specific nonenzymatic peptide S/O–glutamylation reveals the extent of substrate promiscuity in glutamate elimination domains

, Authors: Alexander Vinogradov, Yuki Goto, Hiroaki Suga
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-z44z2
 
Subject: Chemistry
,
Working Paper
, Title:

Surface properties modulate protein corona formation and determine cellular uptake and cytotoxicity of silver nanoparticles

, Authors: Marianna Barbalinardo, Jessika Bertacchini, Linda Bergamini, Maria Sara Magarò, Luca Ortolani, Alessandra Sanson, Carla Palumbo, Massimiliano Cavallini, Denis Gentili
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-t5zt2
 
Subject: Chemistry
,
Working Paper
, Title:

A system for the evolution of protein-protein interaction inducers

, Authors: Jeffrey Dewey, Saara-Anne Azizi, Vivian Lu, Bryan Dickinson
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-ss23c
 
Subject: Chemistry
,
Working Paper
, Title:

Modular Enantioselective Synthesis of cis-Cyclopropanes through Redox-Active Carbene Transfer and Stereoselective Photo-Decarboxylation

, Authors: Matteo Costantini, Abraham Mendoza
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-2f4mc
 
Subject: Chemistry
,
Working Paper
, Title:

Interlayer Interactions as Design Tool for Large-Pore COFs

, Authors: Sebastian Emmerling, Robin Schuldt, Sebastian Bette, Liang Yao, Johannes Kästner, Bettina Lotsch
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-lszg0
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon-Binder Migration: A Three-Dimensional Evaporation Model for Lithium Ion Batteries

, Authors: Teo Lombardo, Alain Ngandjong, Amal Belhcen, Mehdi Chouchane, Abbos Shodiev, Oier Arcelus, Alejandro A. Franco
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-4l33f
 
Subject: Chemistry
,
Working Paper
, Title:

The Ferric-superoxo Intermediate of the TxtE Nitration Pathway Resists Reduction, Facilitating Its Reaction with Nitric Oxide

, Authors: Christopher Martin, Manyun Chen, Maria Martinez, Rosemary Loria, Yousong Ding, Jonathan Caranto
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-vtf0r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning for functional group identification in vibrational spectroscopy: A pedagogical lab for undergraduate chemistry students

, Authors: Elizabeth Thrall, Seung Eun Lee, Joshua Schrier, Yijun Zhao
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-db11k
 
Subject: Chemistry
,
Working Paper
, Title:

THE VARIABILITY OF VOLATILE ORGANIC COMPOUNDS IN CLINICAL ENVIRONMENTS

, Authors: Dahlia Salman, Wadah Ibrahim, Amisha Kanabar, Bo Zhao, Amisha Singapuri, Michael Wilde, Rebecca Cordell, Teresa McNally, Dorota Ruszkiewicz, Andria Hadjithekli, Robert Free, Neil Greening, Erol Gaillard, Caroline Beardsmore, Paul Monks, Christopher Brightling, Salman Siddiqui, Charles Thomas
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-0ns2x
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon Clusters: Thermochemistry and Electronic Structure at High Temperatures

, Authors: Maitreyee Sharma Priyadarshini, Richard Jaffe, Marco Panesi
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-4g7cz
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical and Mechanistic Study of Oxidative Degradation of Favipiravir by Electro-generated Superoxide through Proton-coupled Electron Transfer

, Authors: Tatsushi Nakayama, Ryo Honda
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-gfrq5
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneous Measurement of Photocurrent and Recombination Emission in Organic Solar Cell

, Authors: Ji-Hyun Lee, Masahiro Hiramoto, Seiichiro Izawa
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-xz8mp
 
Subject: Chemistry
,
Working Paper
, Title:

Constructing Ultralong Near-infrared Organic Phosphorescence Materials with 732 nm through One-axis Two-wing Guest-Host Strategy for Bioimaging

, Authors: Fuming Xiao, Heqi Gao, yunxiang lei, Miaochang Liu, Xiaoyan Zheng, Zhengxu Cai, Xiaobo Huang, Huayue Wu, Dan Ding
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-c0zrx
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic Effects of Temperature on Fe-N-C Catalysts for 2e- and 4e-Oxygen Reduction Reactions

, Authors: Jie Yang, Junfen Li, Ruimin Ding, Chang Liu, Xi Yin
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-n2kcq
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of storage conditions on the performance of nitrocellulose test strips used in lateral flow assays

, Authors: Navjot Kaur, Mridul Kaimal, Bhushan Toley
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-4xjh5
 
Subject: Chemistry
,
Working Paper
, Title:

Is Dissociation of HCl in DMSO Clusters Bistable?

, Authors: Debopriya Sadhukhan, Po-Jen Hsu, Jer-Lai Kuo, G Naresh Patwari
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-9gx0c
 
Subject: Chemistry
,
Working Paper
, Title:

Defect Chemistry and Doping of BiCuSeO

, Authors: Michael Toriyama, Jiaxing Qu, G. Jeffrey Snyder, Prashun Gorai
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-1lw5t
 
Subject: Chemistry
,
Working Paper
, Title:

Vinyl Copolymers with Faster Hydrolytic Degradation than Aliphatic Polyesters and Tunable Upper Critical Solution Temperatures

, Authors: Amaury Bossion, Chen Zhu, Julien Nicolas
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-llsn1
 
Subject: Chemistry
,
Working Paper
, Title:

A “Shake ‘n Bake Route” to Functionalised Zr-UiO-66 Metal-Organic Frameworks

, Authors: Roberto D'Amato, Roberto Bondi, Intissar Moghdad, Ferdinando Costantino, Fabio Marmottini, Matthew J. McPherson, Houcine Naili, Marco Taddei
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-zqx4d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A fast alternative to the galvanostatic intermittent titration technique

, Authors: Yu-Chuan Chien, Haidong Liu, Ashok S. Menon, William R. Brant, Daniel Brandell, Matthew J. Lacey
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-09srz
 
Subject: Psychology
,
Working Paper
, Title:

A Solace in Difficult Times: Engagement with Music and its Impact on Experienced Distress, Flow States, and Life Satisfaction Among Musicians & Non-Musicians

, Authors: Manali Arora
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.33774/coe-2021-271p5
 
Subject: Chemistry
,
Working Paper
, Title:

Side-Chain Engineering of Aggregation-Induced Emission Molecules for Boosting Cancer Phototheranostics

, Authors: shanliang song, Yue Zhao, Miaomiao Kang, Zhijun Zhang, Qian Wu, Shuang Fu, Youmei Li, Haifei Wen, Dong Wang, Ben Zhong Tang
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-xwd77
 
Subject: Chemistry
,
Working Paper
, Title:

A Fluorogenic Labeling of Live Viruses

, Authors: Bin Zheng, Xianhuang Li, Sheng Xie, Shuodong Wang, Weiming Lai, Zhibiao Zhou, Qing Liu, Yujiao Yang, Bei Hou, Weiwei Ni, Jinsong Han, Yong Liu, Zebing Zeng, Tao Wang, Ben Zhong Tang
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-bqkwt
 
Subject: Chemistry
,
Working Paper
, Title:

DL_FFLUX: a parallel, quantum chemical topology force field

, Authors: Ben Symons, Michael Bane, Paul Popelier
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-7mm36
 
Subject: Chemistry
,
Working Paper
, Title:

Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds – Challenges and Opportunities.

, Authors: Nicolas Moitessier, Anne Labarre, Julia Stille, Mihai Burai Patrascu, Andrew Martins, Joshua Pottel
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-d94vz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Modular Type III Porous Liquids based on Porous Organic Cage Microparticles

, Authors: Aiting Kai, Benjamin D. Egleston, Rob Clowes, Michael E. Briggs, Andrew I. Cooper, Rebecca L. Greenaway
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-bgwjs-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Tailoring the Reactivity of the Langlois Reagent and Styrenes with Cyanoarenes Organophotocatalysts under Visible-Light.

, Authors: Dan Louvel, Amel Souibgui, ALEXIS TAPONARD, Jean Rouillon, Mongi ben mosbah, younes moussaoui, GUILLAUME PILET, Lhoussain Khrouz, Cyrille MONNEREAU, Anis Tlili
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-3g3d1
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Polymer Free Volume Monitored by Single-Molecule Spectroscopy of a Dual Fluorescent Flapping Dopant

, Authors: Shohei Saito
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-qndc1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Palladium-Catalyzed intramolecular Cyclization of ‘2-bromo-1,5- di-ene-7-yne’System: A Versatile Route to the Poly-ene Substituted Cyclohexenols

, Authors: Jayanta Kumar Ray, Sunanda Paul, Raju Singha
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-5cqps
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting stable lithium iron oxysulphides for battery cathodes

, Authors: Bonan Zhu, David O. Scanlon
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-fbffd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Water Boosts the Performances of Glass Anodes for Lithium-Ion Batteries

, Authors: Zhenjing Jiang, Shibin Qi, Chengwei Gao, Xiangyu Li, Yanfei Zhang, Yuanzheng Yue
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-dhq0l
 
Subject: Chemistry
,
Working Paper
, Title:

COVID-19: ABC System and LBP-like Function of ORF7a Activate Monocytes to Induce Diabetes

, Authors: liu wenzhong, li hualan
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-tx6q4
 
Subject: Chemistry
,
Working Paper
, Title:

Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo.

, Authors: Andrei L. Tchougreeff, Timofey Kuhsnir, Ilya Popov
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-xkzzr
 
Subject: Chemistry
,
Working Paper
, Title:

Design of Long-Term Stable Concentrated Colloidal Dispersions in Ionic Liquids up to 473 K

, Authors: Jesse Cornelius Riedl, Mitradeep Sarkar, Thiago Fiuza, Fabrice Cousin, Jérome Depeyrot, Emmanuelle DUBOIS, Guillaume Mériguet, Régine Perzynski, Véronique Peyre
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.26434/chemrxiv-2021-vcs1x-v2
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

The Effect of Race and Other Factors on the Utilization of Annual Physical Examinations and Preventive Healthcare Services in the District of Columbia

, Authors: Karl Von Batten
Version undefined posted 22 June 2021
Posted
Jun 22, 2021
10.33774/coe-2021-l8nnl
 
Subject: Chemistry
,
Working Paper
, Title:

Towards a 3D-resolved model of Si/Graphite composite electrodes from manufacturing simulations

, Authors: Chaoyue Liu, Oier Arcelus, Teo Lombardo, Hassan Oularbi, Alejandro A. Franco
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-9tkcd
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochromism or Water Splitting in Neutral Aqueous Solutions by a Metallo-Organic Assembly

, Authors: Naveen Malik, Tatyana Bendikov, Michal Lahav, Milko van der Boom
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-2gk1r
 
Subject: Chemistry
,
Working Paper
, Title:

Photogearing – A Concept for Translation of Precise Motions at the Nanoscale

, Authors: Aaron Gerwien, Frederik Gnannt, Peter Mayer, Henry Dube
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-95v7d
 
Subject: Chemistry
,
Working Paper
, Title:

Computational studies of a DNA-based aptasensor: toward theory-driven transduction improvement.

, Authors: Mario Araujo-Rocha, Benoît Piro, Vincent Noël, Florent Barbault
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-75pmp
 
Subject: Chemistry
,
Working Paper
, Title:

Using automated serendipity to discover how trace water promotes and inhibits lead halide perovskite crystal formation

, Authors: Philip Nega, Zhi Li, Victor Ghosh, Janak Thapa, Shijing Sun, Noor Titan Putri Hartono, Mansoor Ani Najeeb Nellikkal, Alexander J. Norquist, Tonio Buonassisi, Emory M. Chan, Joshua Schrier
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-jv6lv
 
Subject: Chemistry
,
Working Paper
, Title:

Exploration of Gold Colloidal beyond Trillion Times Dilution

, Authors: Chandra Sekhar Tiwary, Partha Kumbhakar, Kumaravel V, Ashit Pramanik, Rajesh Chaudhary, S Prasanth, Julka Tripathi, Amreesh Chandra, Himashu Tiwary, Subash Singh
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-86hqz
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorescent Silver-AIE Visualization of Neurons and Fibres in the Cleared Brain

, Authors: Sheng Xie, Alex Y. H. Wong, Kam Chuen, Ola Hermanson, Nancy Ip, Ben Zhong Tang, Sijie Chen
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-707mm
 
Subject: Chemistry
,
Working Paper
, Title:

Cadmium-Containing Quantum Dots Used in Electronic Displays: Implications for Toxicity and Environmental Transformations

, Authors: Aude Bechu, Jeffrey Liao, Chang Huang, Chany Ahn, Maureen McKeague, Subhasis Ghoshal, Audrey Moores
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-n3c99
 
Subject: Chemistry
,
Working Paper
, Title:

Excited States of Xanthophylls Revisited: Towards the Simulation of Biologically Relevant Systems

, Authors: Mattia Bondanza, Denis Jacquemin, Benedetta Mennucci
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-2wzq7
 
Subject: Chemistry
,
Working Paper
, Title:

Observation of an Intermediate to H2 Binding in a Metal–organic Framework

, Authors: Brandon R. Barnett, Hayden A. Evans, Gregory M. Su, Henry Z. H. Jiang, Romit Chakraborty, Didier Banyeretse, Tyler Hartman, Madison Martinez, Benjamin A. Trump, Jacob Tarver, Matthew Dods, Lena M. Funke, Jonas Börgel, Jeffrey A. Reimer, Walter S. Drisdell, Katherine Hurst, Thomas Gennett, Stephen A. FitzGerald, Craig M. Brown, Martin Head-Gordon, Jeffrey R. Long
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-hvb1j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Luminescent 1D Silver Polymer Containing [2.2]Paracyclophane Ligands

, Authors: Campbell Mackenzie, Lucie Delforce, Diego Rota Martir, David Cordes, Alexandra Slawin, Eli Zysman-Colman
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-qqbs1
 
Subject: Chemistry
,
Working Paper
, Title:

Syntheses of Hydrocarbazole Derivatives via Brønsted acid-Initiated Diels-Alder Cycloaddition/retro-Michael Addition Cascade Reaction of Azepino[4,5-b]indoles and Acrolein

, Authors: Fukai Xie, Xiang Li, Liangyu Xu, Jun Ma, Lei Sun, Bo Zhang, Bin Lin, Maosheng Cheng, Yongxiang Liu
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-llnkr
 
Subject: Chemistry
,
Working Paper
, Title:

Carrier Protein-Free Chemo-Enzymatic Synthesis of Arylomycin A2 and Structural Characterization of the Cytochrome P450 AryC

, Authors: Hülya Aldemir, Shuangjie Shu, Francoise Schaefers, Hanna Hong, René Richarz, Sabrina Harteis, Manuel Einsiedler, Tobias M. Milzarek, Sabine Schneider, Tobias A. M. Gulder
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-t1817
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Characterization, and Effects of Molecular Structure on Phase Behavior of 4-Chloro-1,3-Diazobenzene Bent-Core Liquid Crystals with High Photosensitivity

, Authors: Jinying Lu, Daoren Yan, Zhiyong Zhang, Zelong Zhang
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-4ws60-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrene Photochemistry of Manganese N-Haloamides

, Authors: Gerard Van Trieste, Madeline Hicks, Anuvab Das, Nattamai Bhuvanesh, Andrew Ozarowski, Joshua Telser, David Powers
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-plww9
 
Subject: Chemistry
,
Working Paper
, Title:

Systematic Study of the Thermal Properties of Zeolitic Frameworks

, Authors: Maxime Ducamp, François-Xavier Coudert
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-g285c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Favorable Path to Domain Separation in the Orange Carotenoid Protein

, Authors: Mahmoud Sharawy, Natalia B. Pigni, Eric R. May, José A. Gascón
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-b53wx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reproducing the invention of a named reaction: zero-shot prediction of unseen chemical reactions

, Authors: An Su, Ling Wang, Xinqiao Wang, Chengyun Zhang, Yejian Wu, Hongliang Duan
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-3f144-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Surface NMR Using Quantum Sensors in Diamond

, Authors: Kristina Liu, Alex Henning, Markus W. Heindl, Robin Allert, Johannes D. Bartl, Ian D. Sharp, Roberto Rizzato, Dominik Benjamin Bucher
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-k3szw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Quantum Chemical Topology Picture of Intermolecular Electrostatic Interactions and Charge Penetration Energy

, Authors: Fernando Jiménez-Grávalos, Dimas Suárez
Version undefined posted 23 June 2021
Posted
Jun 23, 2021
10.26434/chemrxiv-2021-2xj10-v2
 
Subject: Management
,
Working Paper
, Title:

Impact of Marketing Communicators, Service Quality and Price Promotion on the Brand Image: A Case Study on Pathao

, Authors: Rafsan Chowdhury
Version undefined posted 24 June 2021
Posted
Jun 24, 2021
10.33774/coe-2021-948v8
 
Subject: Chemistry
,
Working Paper
, Title:

Using Data Science to Guide Aryl Bromide Substrate Scope Analysis in a Ni/Photoredox-Catalyzed Cross-Coupling with Acetals as Alcohol-Derived Radical Sources

, Authors: Stavros Kariofillis, Shutian Jiang, Andrzej Żurański, Shivaani Gandhi, Jesus Martinez Alvarado, Abigail Doyle
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-6kd0t
 
Subject: Chemistry
,
Working Paper
, Title:

Activation of H2 with Manganese(I)-Phosphido Complexes

, Authors: Preshit Abhyankar, Samantha MacMillan, David Lacy
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-w9cqz
 
Subject: Chemistry
,
Working Paper
, Title:

N-donor Base Adducts of P2O5 as Diphosphorylation Reagents

, Authors: Scott Shepard, Christopher Cummins
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-8v8nx
 
Subject: Chemistry
,
Working Paper
, Title:

Programmable zwitterionic droplets as biomolecular sorters and model of membraneless organelles

, Authors: Umberto Capasso Palmiero, Carolina Paganini, Marie Kopp, Miriam Linsenmeier, Andreas Kuffner, Paolo Arosio
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-35cn8
 
Subject: Chemistry
,
Working Paper
, Title:

C-H Oxidation in Fluorenyl Benzoates Does Not Proceed Through a Stepwise Pathway: Revisiting Asynchronous Proton-Coupled Electron Transfer

, Authors: Scott Coste, Anna Brezny, Brian Koronkiewicz, James Mayer
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-pl384
 
Subject: Chemistry
,
Working Paper
, Title:

Electrosynthesis of Green Urea by co-reduction of N2 and CO2 Using Dual Active Sites of Copper Phthalocyanine Nanotube

, Authors: Uttam Ghorai, Jit Mukherjee, Sourav Paul, Ashadul Adalder, Samadhan Kapse, Ranjit Thapa, Sumit Mandal, Biswajit Ghorai, Sougata Sarkar
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-jk5dq
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Accurate Description of Chemical Reaction Energetics by Using Variational Quantum Eigensolver: A Case Study of the C2v Quasi-Reaction Pathway of Beryllium Insertion to H2 Molecule

, Authors: Kenji Sugisaki, Takumi Kato, Yuichiro Minato, Koji Okuwaki, Yuji Mochizuki
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-w7n78
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of CO2 Orientational Dynamics through Simulated NMR Line Shapes

, Authors: Patrick Melix, Thomas Heine
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-9c33d
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrogen K-edge X-ray absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods

, Authors: Peter Reinholdt, Marta L. Vidal, Jacob Kongsted, Marcella Iannuzzi, Sonia Coriani, Michael Odelius
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-v2vd7
 
Subject: Chemistry
,
Working Paper
, Title:

Structural requirements for photo-induced RNA-protein cross-linking

, Authors: Anna Knörlein, Chris Sarnowski, Tebbe de Vries, Moritz Stoltz, Michael Götze, Ruedi Aebersold, Frédéric Allain, Alexander Leitner, Jonathan Hall
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-05zhj
 
Subject: Chemistry
,
Working Paper
, Title:

Dipole Moment and Charge Reorganization in Photoredox Catalysts

, Authors: Justin Earley, Anna Zieleniewska, Hunter Ripberger, Megan Lazorski, Zachary Mast, Hannah Sayre, Robert Knowles, James McCusker, Gregory Scholes, Obadiah Reid, Garry Rumbles
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-cz105
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Chirality and Cloud Activation Potentials of Dimeric α-Pinene Oxidation Products

, Authors: Regan Thomson, Franz Geiger, Aleia Bellcross, Ariana Bé
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-czw58
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating oxidative stability of lithium-ion battery electrolytes using synthetic charge-discharge profile voltammetry

, Authors: Alma Mathew, Matthew Lacey, Daniel Brandell
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-2kgjv
 
Subject: Chemistry
,
Working Paper
, Title:

Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking

, Authors: Sergio P. Ribone, S. Alexis Paz, Cameron F. Abrams, Marcos A. Villarreal
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-2n6jh
 
Subject: Chemistry
,
Working Paper
, Title:

Fourier-like Thermal Relaxation of Nanoscale Explosive Hot Spots

, Authors: Matthew Kroonblawd, Brenden Hamilton, Alejandro Strachan
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-jqvd7
 
Subject: Chemistry
,
Working Paper
, Title:

Decisive Role of Spin-States and Spin-Coupling in Dictating Selective O2 Adsorption in Chromium(II) Metal-Organic Framework

, Authors: Gopalan Rajaraman, Reshma Jose, Srinivasu Kancharlapalli, Tapan Ghanty, Sourav Pal
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-482v6
 
Subject: Chemistry
,
Working Paper
, Title:

A study of boosting molecular descriptors with quantum-derived features in prediction of maximum emission wavelengths of chromophores.

, Authors: Bartłomiej Fliszkiewicz
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-bb7b1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Preparation of Recyclable and Versatile Porous Poly-Arylthioethers by Reversible Pd-Catalysed C–S/C–S Metathesis

, Authors: Miguel A. Rivero-Crespo, Georgios Toupalas, Bill Morandi
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-h28j4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

High Spin Cobalt Complexes Supported by a Trigonal Tris(Phosphinimide) Ligand

, Authors: Heui Beom Lee, Nicholas Ciolkowski, Charles Winslow, Jonathan Rittle
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-t404r
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Electronic Analysis of the Octarepeat Region of Prion Protein with Four Cu(II) by Polarizable MD and QM/MM Simulations

, Authors: Jorge Nochebuena, Liliana Quintanar, Alberto Vela, G. Andrés Cisneros
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-v2jk0
 
Subject: Chemistry
,
Working Paper
, Title:

Carbonylative Cross-Electrophile Coupling Between Aryl Bromides and Aryl Triflates Enabled by Palladium and Rhodium Cooperative Catalysis

, Authors: Xue Xiao, Gang Chen, Xuemei Zhang, Søren Kramer, Zhong Lian
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-sc2pr
 
Subject: Chemistry
,
Working Paper
, Title:

Combatting AMR: a molecular approach to the discovery of potent and non-toxic rhenium complexes active against C. albicans-MRSA co-infection

, Authors: Sara Nasiri Sovari, Natasa Radakovic, Paul Roch, Aurélien Crochet, Aleksandar Pavic, Fabio Zobi
Version undefined posted 25 June 2021
Posted
Jun 25, 2021
10.26434/chemrxiv-2021-kj9rs
 
Subject: Mathematics
,
Working Paper
, Title:

Workflow Modelling of Construction Projects

, Authors: Ellen Murphy, Alan Champneys
Version undefined posted 26 June 2021
Posted
Jun 26, 2021
10.33774/miir-2021-cvlwr
 
Subject: Chemistry
,
Working Paper
, Title:

A Reproducible and Scalable Method for Producing Fluorescent Polystyrene Nanoparticles

, Authors: Dávid Bartoš, Lu Wang, Andy S. Anker, Morten Rewers, Olivia Aalling-Frederiksen, Kirsten Marie Ørnsbjerg Jensen, Thomas Just Sørensen
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-3blgm
 
Subject: Chemistry
,
Working Paper
, Title:

Light sensitive phenacyl crosslinked dextran hydrogels for controlled delivery

, Authors: Rienk Eelkema, Antonia Denkova, Tobias Breve, Sven Weerdenburg, Stefan van der Griend, Tim Groeneveld, Mike Filius
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-0spz9
 
Subject: Chemistry
,
Working Paper
, Title:

Structural insight into an atomic layer deposition (ALD) grown Al2O3 layer on Ni/SiO2: impact on catalytic activity and stability in dry reforming of methane

, Authors: Kim Sungmin, Armutlulu Andac, Wei-Chih Liao, Davood Hosseini, Dragos Stoian, Zixuan Chen, Paula Abdala, Christophe Copéret, Christoph Rüdiger Müller
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-4x9sf
 
Subject: Chemistry
,
Working Paper
, Title:

Spiro-based thermally activated delayed fluorescence emitters with reduced non-radiative decay for high quantum efficiency, low roll-off, light-emitting diodes

, Authors: Nidhi Sharma, Michal Maciejczyk, David Hall, Wenbo Li, Vincent Liegeois, David Beljonne, Yoann Olivier, Neil Robertson, Ifor Samuel, Eli Zysman-Colman
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-b2m52
 
Subject: Chemistry
,
Working Paper
, Title:

Bromate incorporation in calcite and aragonite

, Authors: Scott Midgley, Dominik Fleitmann, Ricardo Grau-Crespo
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-2n8s2
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating Tetrel based Neutral Frustrated Lewis Pairs for Hydrogen Activation

, Authors: Pallavi Sarkar, Shubhajit Das, Swapan K. Pati
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-jcwr3
 
Subject: Economics
,
Working Paper
, Title:

Mechanics of Global Value Chains: India's Perspective

, Authors: Sourish Dutta
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.33774/coe-2021-0rt1z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

MD Simulations and QM/MM Calculations Reveal the Key Mechanistic Ele-ments which are Responsible for the Efficient C-H Amination Reaction Per-formed by a Bioengineered P450 Enzyme

, Authors: Surajit Kalita, Sason Shaik, Kshatresh Dubey
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-1jt61
 
Subject: Chemistry
,
Working Paper
, Title:

Modification of IL-6 by hypochlorous acid: effects on receptor binding and possible role in treatment of COVID-19

, Authors: Lori Robins, Erika Keim, Deborah Robins, Scott Edgar, John Meschke, Philip Gafken, Jeffrey Williams
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-s68cw
 
Subject: Chemistry
,
Working Paper
, Title:

Electron spin resonance resolves intermediate triplet states in delayed fluorescence

, Authors: Bluebell Drummond, Naoya Aizawa, Yadong Zhang, William Myers, Yao Xiong, Matthew Cooper, Stephen Barlow, Qinying Gu, Leah Weiss, Alexander Gillett, Dan Credgington, Yong-Jin Pu, Seth Marder, Emrys Evans
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-hc0g3
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing thermally activated delayed fluorescence by fine-tuning the dendron donor strength

, Authors: Eimantas Duda, David Hall, Sergey Bagnich, Cameron L. Carpenter-Warren, Rishabh Saxena, Michael Y. Wong, David B. Cordes, Alexandra M. Z. Slawin, David Beljonne, Yoann Olivier, Eli Zysman-Colman, Anna Köhler
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-z10sw
 
Subject: Chemistry
,
Working Paper
, Title:

Intermolecular 2+2 Imine-Olefin Photocycloadditions Enabled by Cu(I)-Alkene MLCT

, Authors: Daniel Flores, Michael Neville, Valerie Schmidt
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-t45sg
 
Subject: Chemistry
,
Working Paper
, Title:

Modulating the Conductance in Graphene Nanoribbons with Multi-Barriers Under an Applied Voltage

, Authors: Hassen Dakhlaoui, Shaffa Almansour, Walid Belhadj, Bryan Wong
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-320dd
 
Subject: Chemistry
,
Working Paper
, Title:

Deprotonation and Cation Adsorption on the NiOOH/Water Interface: A Grand-Canonical First-Principles Investigation

, Authors: Mohammad Eslamibidgoli, Jun Huang, Piotr Kowalski, Michael Eikerling, Axel Gross
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-l2mbl
 
Subject: History
,
Working Paper
, Title:

The Phoenician footprint in Ibiza

, Authors: Mario Martin-Merino
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.33774/coe-2021-xxvdd
 
Subject: Chemistry
,
Working Paper
, Title:

Determining the Acetic Acid Concentration in White Vinegar: An At-Home Undergraduate Chemistry Experiment During the COVID-19 Pandemic

, Authors: Philip Parel, Lydia Burnett, Morgan Geoffroy, John Parel, Ling Hao
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-hxb4r
 
Subject: Mathematics
,
Working Paper
, Title:

Strategies for the Use of Data and Algorithm Approaches in Railway Traffic Management

, Authors: Martine J. Barons
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.33774/miir-2021-f9x91
 
Subject: Mathematics
,
Working Paper
, Title:

Pattern Reduction in Paper Cutting

, Authors: Chris Aldridge, Jon Chapman, Rebecca Gower, Robert Leese, Colin McDiarmid, Mark Shepherd, Hans Tuenter, Helen Wilson, Alan Zinober
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.33774/miir-2021-dzh0s
 
Subject: Mathematics
,
Working Paper
, Title:

Thermo-electrical stability in an electrode

, Authors: Andrew Lacey
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.33774/miir-2021-jfp1q
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacially-Adsorbed Particles Enhance the Self-Propulsion of Oil Droplets in Aqueous Surfactant

, Authors: Seong Ik Cheon, Leonardo Batista Capaverde Silva, Aditya Khair, Lauren Zarzar
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-x4q2p-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Regioselective and Water-Promoted Surface Esterification of Never-Dried Cellulose Fibers Towards Nanofibers with Adjustable Surface Energy

, Authors: Marco Beaumont, Caio G. Otoni, Bruno D. Mattos, Tetyana V. Koso, Roozbeh Abidnejad, Bin Zhao, Anett Kondor, Alistair W. T. King, Orlando J. Rojas
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-6h6kj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Convenient Synthesis and Spectral Studies of Diamines Derivatives

, Authors: Sudershan Reddy Gondi, Michael B. Jacobsson, Christiana Julia Rissing, DAVID Y SON
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-r04pc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Convenient Synthesis of Thiol, Trithiocarbonate and Disulfide

, Authors: Sudershan Reddy Gondi, Christiana Julia Rissing, DAVID SON
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-rrmw2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Molecular Model of Secondary Battery Cycle-life Pointing Towards a Final Regularity Resembling Carnot-efficiency

, Authors: Roland Hermann Pawelke
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-m5pnn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

SynthI: a new open-source tool for synthon-based library design

, Authors: Yuliana Zabolotna, Dmitriy Volochnyuk, Sergey Ryabukhin, Kostiantyn Gavrylenko, Dragos Horvath, Olga Klimchuk, Olexandr Oksiuta, Gilles Marcou, Alexandre Varnek
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.26434/chemrxiv-2021-v53hl-v2
 
Subject: Medicine (excluding clinical)
,
Presentation
, Title:

Healthcare Innovations and Ecosystems: COVID-19 and Beyond

, Authors: Kanchan Mukherjee
Version undefined posted 28 June 2021
Posted
Jun 28, 2021
10.33774/coe-2021-845m2
 
Subject: Chemistry
,
Working Paper
, Title:

The Sea Spray Chemistry and Particle Evolution Study (SeaSCAPE): Overview and Experimental Methods

, Authors: Jonathan Sauer, Kathryn Mayer, Christopher Lee, Michael Alves, Sarah Amiri, Cristina Bahaveolos, Emily Barnes, Daniel Crocker, Julie Dinasqauet, Lauren Garofalo, Chathuri Kaluarachchi, Duyen Dang, Delaney Kilgour, Liora Mael, Brock Mitts, Daniel Moon, Clare Morris, Alexia Moore, Chi-min Ni, Matthew Pendergraft, Daniel Petras, Rebecca Simpson, Stephanie Smith, Paul Tumminello, Joseph Walker, Paul Demott, Delphine Farmer, Allen Goldstein, Vicki Grassian, Jules Jaffe, Francesca Malfatti, Todd Martz, Jonathan Slade, Alexei Tivanski, Timothy Bertram, Christopher Cappa, Kimberly Prather
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-sm7vw
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Static Mixer-Enabled Hydrogenation of a Key Fenebrutinib Intermediate: Real-time Analysis for a Stable and Scalable Process

, Authors: René Lebl, Stephan Bachmann, Paolo Tosatti, Joerg Sedelmeier, Kurt Püntener, Jason D. Williams, C. Oliver Kappe
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-xcxcr
 
Subject: Chemistry
,
Working Paper
, Title:

Americium preferred: Lanmodulin, a natural lanthanide-binding protein favors an actinide over lanthanides

, Authors: Helena Singer, Björn Drobot, Cathleen Zeymer, Robin Steudner, Lena Daumann
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-w0nx3
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrafast Photochemistry of a Molybdenum Carbonyl-Nitrosyl Complex with a Triazacyclononane Coligand

, Authors: Niklas Gessner, Anna K. Bäck, Johannes Knorr, Christoph Nagel, Philipp Marquetand, Ulrich Schatzschneider, Leticia González, Patrick Nuernberger
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-xptgq
 
Subject: Chemistry
,
Working Paper
, Title:

PySMILESUtils – Enabling deep learning with the SMILES chemical language

, Authors: Esben Bjerrum, Tobias Rastemo, Ross Irwin, Christos Kannas, Samuel Genheden
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-kzhbs
 
Subject: Chemistry
,
Working Paper
, Title:

Hidden Lewis acidity: Studies on the medium and structure dependent fluorescence of zinc(II) complexes

, Authors: Hannah Kurz, Gerald Hörner, Oskar Weser, Giovanni Li Manni, Birgit Weber
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-grnzt
 
Subject: Chemistry
,
Working Paper
, Title:

Polysaccharide - Modified MMT/ Modified MMT/ Polysaccharide – MNP, Lignin - Modified MMT Nanocomposites Verses Polyethyleneimineimine- Modified MMT-: A Comparative Analysis of Sustained Pesticide Delivery

, Authors: RITU Mahajan
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-pctv8
 
Subject: Chemistry
,
Working Paper
, Title:

Organocatalytic synthesis of vinylene carbonates

, Authors: Killian Onida, Alice J. Haddleton, Sébastien Norsic, Christophe Boisson, Franck D'Agosto, Nicolas Duguet
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-mm08f
 
Subject: Chemistry
,
Working Paper
, Title:

Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes

, Authors: Weiying He, D. Dawson Beattie, Hao Zhou, Eric G. Bowes, Laurel L Schafer, Jennifer A Love, Pierre Kennepohl
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-xjc39
 
Subject: Chemistry
,
Working Paper
, Title:

Local Electric Fields Dictate Function: The Different Product Selectivity Observed for Fatty Acids Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSbeta

, Authors: Shalini Yadav, Sason Shaik, Shakir Ali Siddiqui, Surajit Kalita, Kshatresh Dubey
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-sp390
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the effect of doping on the charging performance of the Li-O2 battery: the role of hole polarons and lithium vacancies

, Authors: Henry Andres Cortés Páez, John Faber Zapata Cardona, María Andrea Barral, Laura Veronica Vildosola
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-m8lv8
 
Subject: Chemistry
,
Working Paper
, Title:

Structured Liquid Batteries

, Authors: Jiajun Yan, Thomas Russell, Brett Helms
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-bcml2
 
Subject: Chemistry
,
Working Paper
, Title:

A Simplified State Interaction for Matrix Product State Wave Functions

, Authors: Leon Freitag, Alberto Baiardi, Stefan Knecht, Leticia González
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-brv78
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Synthesis of Alkylidenecyclobutanones via Formal Vinylidene Insertion into Cyclopropanone Equivalents

, Authors: Christopher Poteat, Vincent Lindsay
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-kv6gx
 
Subject: Chemistry
,
Working Paper
, Title:

Peculiar anharmonicity of Ruddlesden Popper metal halides: Temperature-dependent phonon dephasing

, Authors: Esteban Rojas Gatjens, Carlos Silva Acuña, Ajay Ram Srimath Kandada
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-3rpsq
 
Subject: Chemistry
,
Working Paper
, Title:

Core/Shell Magic-Sized Semiconductor Nanocrystals

, Authors: Andrew Pun, Aniket Mule, Jacob Held, David Norris
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-hgcv8
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating the Performance of a Transformer-based Organic Reaction Prediction Model

, Authors: William Borrelli, Joshua Schrier
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-3nqv9
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Exploitation of the Biological Profile of Novel Guanidino Xylofuranose Derivatives

, Authors: Nuno Manuel Xavier, Andreia Fortuna, Rita Gonçalves-Pereira, Paulo J. Costa, Radek Jorda, Veronika Vojáčková, Niels V. Heise, René Csuk, M. Conceição Oliveira
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-mxk4c
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Solution Formation of UiO Family Hf Metal-Organic Framework clusters with in situ X-Ray Pair Distribution Function Analysis

, Authors: Francesca C.N. Firth, Michael W. Gaultois, Yue Wu, Joshua Stratford, Dean S. Keeble, Clare P. Grey, Matthew J. Cliffe
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-ssr8z
 
Subject: Chemistry
,
Working Paper
, Title:

Spin statistics for triplet-triplet annihilation upconversion: exchange coupling, intermolecular orientation and reverse intersystem crossing

, Authors: David Bossanyi, Yoichi Sasaki, Dimitri Chekulaev, Nobuo Kimizuka, Nobuhiro Yanai, Jenny Clark
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-w2bfz
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]2 Catalysts

, Authors: Nathalie Fernando, Andrew B. Cairns, Claire A. Murray, Amber L. Thompson, Joshua L. Dickerson, Elspeth F. Garman, Nayera Ahmed, Laura E. Ratcliff, Anna Regoutz
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-87hpz
 
Subject: History
,
Working Paper
, Title:

Thamugadi : a Roman city in North Africa

, Authors: Mario Martin-Merino
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.33774/coe-2021-qbrnd
 
Subject: Chemistry
,
Working Paper
, Title:

Solvation of anthraquinone and Tempo redox-active species in acetonitrile using a polarizable force field

, Authors: Roxanne Berthin, Alessandra Serva, Kyle Reeves, Esther Heid, Christian Schroeder, Mathieu Salanne
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-w18g2
 
Subject: Chemistry
,
Working Paper
, Title:

The synthesis of chiral branched allylamines through dual photoredox/nickel catalysis

, Authors: Mateusz Garbacz, Sebastian Stecko
Version undefined posted 29 June 2021
Posted
Jun 29, 2021
10.26434/chemrxiv-2021-b3tfj
 
Subject: Chemistry
,
Working Paper
, Title:

Rearrangement of Thiodepsipeptides by S–N Acyl Shift Delivers Homodetic Autoinducing Peptides

, Authors: Bengt H. Gless, Benjamin Svejdal Bejder, Fabrizio Monda, Martin S. Bojer, Hanne Ingmer, Christian Adam Olsen
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-s7rj8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Phosphorescence Energies and Inferring Wavefunction Localization with Machine Learning

, Authors: Andrew E. Sifain, Levi Lystrom, Richard A. Messerly, Justin Smith, Benjamin Nebgen, Kipton Barros, Sergei Tretiak, Nicholas Lubbers, Brendan J. Gifford
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-4xbpv-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Machine-Learned Energy Functionals for Strongly Correlated Systems

, Authors: Daniel King, Laura Gagliardi, Donald Truhlar
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-pjvv1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

From “inverted” to “superdirect“ bonds: a general concept connecting substituent angles with sigma bond strengths. The case of the CC bonds in hydrocarbons.

, Authors: Rubén Laplaza, Julia Contreras-García, Franck Fuster, François Volatron, Patrick Chaquin
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-749mc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Rofecoxib-Based Fluorescent Probes and Investigations on Their AIE Activity, Solvatochromism, Mechanochromism and COX-2 Targeted Bioimaging

, Authors: Lijun Xie, Renfu Li, Biyun Zheng, Zuoxu Xie, Xuefen Fang, Yanqi Wang, Gregory Cuny, Zhenli Li, Bin Lin, Xueyuan Chen, Ming Hu
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-4g8vd
 
Subject: Chemistry
,
Working Paper
, Title:

Hardness of new boron-rich chalcogenides B12S and B12Se

, Authors: Vladimir Solozhenko
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-4pn07
 
Subject: Chemistry
,
Working Paper
, Title:

Quantification of the Helicality of Helical Molecular Orbitals

, Authors: William Bro-Jørgensen, Marc H. Garner, Gemma C. Solomon
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-41lj5
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism of the Photodegradation of A-D-A Acceptors for Organic Photovoltaics

, Authors: Yuxuan Che, Rizwan Niazi, Ricardo Izquierdo, Dmitrii Perepichka
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-8wsz9
 
Subject: Chemistry
,
Working Paper
, Title:

Is ice formation by sea spray particles at cirrus temperatures controlled by crystalline salts?

, Authors: Ryan Patnaude, Russell Perkins, Sonia Kreidenweis, Paul DeMott
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-0cch4
 
Subject: Chemistry
,
Working Paper
, Title:

Total Liquid-phase Sythesis, Head-to-tail Cyclization and Synergistic Self-cleavage of Peptide on Small-molecular Supports

, Authors: Chuanguang Qin, Haidi Li, Junyou Li, Jie Chao, Zixin Zhang
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-nx36g
 
Subject: Chemistry
,
Working Paper
, Title:

A monoanionic pentadentate ligand platform for scandium-pnictogen multiple bonds

, Authors: Evan Patrick, Yan Yang, Warren Piers, Laurent Maron, Benjamin Gelfand
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-mwk57
 
Subject: Chemistry
,
Working Paper
, Title:

Using Active Learning to Develop Machine Learning Models for Reaction Yield Prediction

, Authors: Simon Viet Johansson, Hampus Gummesson Svensson, Esben Bjerrum, Alexander Schliep, Morteza Haghir Chehreghani, Christian Tyrchan, Ola Engkvist
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-bpv0c
 
Subject: Chemistry
,
Working Paper
, Title:

From Fragment to Lead: A Structure-Guided Approach Towards a Selective FGFR2 Inhibitor

, Authors: Lewis Turner, Chi Trinh, Ryan Hubball, Kyle Orritt, Chi-Chuan Lin, Julie Burns, Margaret Knowles, Colin Fishwick
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-xmcgr
 
Subject: Chemistry
,
Working Paper
, Title:

Ball Milling Enabled Reactivity of Manganese Metal

, Authors: Duncan Browne, William Nicholson, Joseph Howard, Giuseppina Magri, Alex Seastram, Adam Khan, Louis Morrill, Emma Richards
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-s7r6b
 
Subject: Chemistry
,
Working Paper
, Title:

The effect of orientated electric fields on biologically relevant iron-sulfur clusters: Tuning redox reactivity for catalysis

, Authors: Samuel Gaughan, Jonathan Hirst, Anna Croft, Christof Jaeger
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-mkqw9
 
Subject: Chemistry
,
Working Paper
, Title:

Anti-Fouling Performance of Mixed Matrix PVDF Membranes with Mono-Hydroxyl Poly(dimethylsiloxane) (PDMS-OH) Grafted Silica Nanoparticles

, Authors: MUAYAD AL-SHAELI, Stefan J. D. Smith, Shanxue Jiang, Huanting Wang, Kaisong Zhang, Bradley P. Ladewig
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.26434/chemrxiv-2021-m8sr9-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Why Do Election Results Change After Election Day? The "Blue Shift" in California Elections

, Authors: Yimeng Li, Michelle Hyun, R. Michael Alvarez
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.33774/apsa-2020-s43xx-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Group Salience, Inflammatory Rhetoric, and the Persistence of Hate Against Religious Minorities

, Authors: William Hobbs, Nazita Lajevardi, Xinyi Li, Caleb Lucas
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.33774/apsa-2021-wnwqw
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Building a Bigger Table: Networking 101 For Graduate Students

, Authors: Seo-young Silvia Kim, Hannah Lebovits, Sarah Shugars
Version undefined posted 30 June 2021
Posted
Jun 30, 2021
10.33774/apsa-2021-z9z88-v2
 
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