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Currently displaying 2281 - 2300 of 29867 publications

Topological invariance in whiteness optimisation

JS Haataja, G Jacucci, TG Parton, L Schertel, S Vignolini

Communications Physics

(2023)

137

(doi: 10.1038/s42005-023-01234-9)

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, S Bringuier, LC Brinson, K Choudhary, D Circi, S Cox, WAD Jong, ML Evans, N Gastellu, J Genzling, MV Gil, AK Gupta, Z Hong, A Imran, S Kruschwitz, A Labarre, J Lála, T Liu, S Ma, S Majumdar, GW Merz, N Moitessier, E Moubarak, B Mouriño, B Pelkie, M Pieler, MC Ramos, B Ranković, SG Rodriques, JN Sanders, P Schwaller, M Schwarting, J Shi, B Smit, BE Smith, JV Herck, C Völker, L Ward, S Warren, B Weiser, S Zhang, X Zhang, GA Zia, A Scourtas, KJ Schmidt, I Foster, AD White, B Blaiszik

(2023)

Corrigendum to 'Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1-42' [Redox Biol. 63 (2023) 102736].

NB Mañucat-Tan, A Chowdhury, R Cataldi, RZ Abdullah, JR Kumita, AR Wyatt

Redox biology

(2023)

102768

(doi: 10.1016/j.redox.2023.102768)

Enantiopure FeII4L4 cages bind steroids stereoselectively

Li, TK Ronson, R Lavendomme, Z Huang, C Fuertes-Espinosa, D Zhang, JR Nitschke

Chem

(2023)

1549

(doi: 10.1016/j.chempr.2023.03.011)

Optimizing Jastrow factors for the transcorrelated method

JP Haupt, SM Hosseini, P López Ríos, W Dobrautz, A Cohen, A Alavi

J Chem Phys

(2023)

158

224105

(doi: 10.1063/5.0147877)

Synthesis of sp³-rich heterocyclic frameworks by a divergent synthesis strategy.

KT Mortensen, DSY Wong, TA King, HF Sore, DR Spring

Organic & Biomolecular Chemistry

(2023)

4591

(doi: 10.1039/d3ob00351e)

Understanding and controlling the molecular mechanisms of protein aggregation in mAb therapeutics.

KT Pang, YS Yang, W Zhang, YS Ho, P Sormanni, TCT Michaels, I Walsh, S Chia

Biotechnol Adv

(2023)

108192

(doi: 10.1016/j.biotechadv.2023.108192)

Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture

NA Hartley, SM Pugh, Z Xu, DC Leong, A Jaffe, AC Forse

(2023)

(doi: 10.26434/chemrxiv-2023-ls7mc-v2)

Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers †

Á García-Romero, D Miguel, DS Wright, CM Álvarez, R García-Rodríguez

Chemical science

(2023)

6522

(doi: 10.1039/d3sc02151c)

Correction: Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT (J. Phys. Chem. C (2023) 127: 6 (3032-3046) DOI: 10.1021/acs.jpcc.2c07263)

BB Sarma, J Jelic, D Neukum, DE Doronkin, X Huang, S Bernart, F Studt, J-D Grunwaldt

The Journal of Physical Chemistry C

(2023)

127

11419

(doi: 10.1021/acs.jpcc.3c03075)

Seasonal, interannual and decadal variability of tropospheric ozone in the North Atlantic: comparison of UM-UKCA and remote sensing observations for 2005-2018

MR Russo, BJ Kerridge, NL Abraham, J Keeble, BG Latter, R Siddans, J Weber, PT Griffiths, JA Pyle, AT Archibald

Atmospheric Chemistry and Physics

(2023)

6169

(doi: 10.5194/acp-23-6169-2023)

Fragment-Merging Strategies with Known Pyrimidine Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis

T Kirkman, S Fun Tan, SM Chavez-Pacheco, A Hammer, C Abell, M Tosin, AG Coyne, MVB Dias

Chemmedchem

(2023)

e202300240

(doi: 10.1002/cmdc.202300240)

Effect of the Solvent Quadrupolarizability on the Strength of the Hydrogen Bond: Theory vs Data for the Gibbs energy and Enthalpy of Homo- and Heteroassociation between Carboxylic Acids and Water

LJ Farren, N Sharifi, SM Clarke, RI Slavchov

The Journal of chemical physics

(2023)

158

214503

(doi: 10.1063/5.0137052)

Stable and scalable computation of state visitation probabilities in finite Markov chains

DJ Sharpe, DJ Wales

The Journal of chemical physics

(2023)

158

211103

(doi: 10.1063/5.0154772)

De Novo Human Angiotensin-Converting Enzyme 2 Decoy NL-CVX1 Protects Mice From Severe Disease After Severe Acute Respiratory Syndrome Coronavirus 2 Infection.

M Rebelo, C Tang, AR Coelho, C Labão-Almeida, MM Schneider, L Tatalick, P Ruivo, MP de Miranda, A Gomes, T Carvalho, MJ Walker, H Ausserwoeger, J Pedro Simas, M Veldhoen, TPJ Knowles, D-A Silva, D Shoultz, GJL Bernardes

J Infect Dis

(2023)

228

723

(doi: 10.1093/infdis/jiad135)

C 13 NMR study of the electronic structure of lithiated graphite

DC Maxwell, CA O'Keefe, C Xu, CP Grey

Physical Review Materials

(2023)

065402

(doi: 10.1103/physrevmaterials.7.065402)

Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation.

M Vendruscolo

Expert Opin Drug Discov

(2023)

881

(doi: 10.1080/17460441.2023.2221024)

Quantifying collective interactions in biomolecular phase separation

H Ausserwöger, D Qian, G Krainer, E de Csilléry, TJ Welsh, T Sneideris, TM Franzmann, S Qamar, NA Erkamp, J Nixon-Abell, M Kar, P St George-Hyslop, AA Hyman, S Alberti, RV Pappu, TPJ Knowles

(2023)

(doi: 10.1101/2023.05.31.543137)