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Currently displaying 3721 - 3740 of 29819 publications

KV Chinmaya, M Ghosh, S Ghosh – (2021)

Lanthanide-based single-molecule magnets: A rational design by chemical intuition

DC Izuogu – (2021)

(DOI: 10.17863/CAM.85023)

Mechanical adaptation of brachiopod shells via hydration-induced structural changes.

J Ihli, AS Schenk, S Rosenfeldt, K Wakonig, M Holler, G Falini, L Pasquini, E Delacou, J Buckman, TS Glen, T Kress, EHR Tsai, DG Reid, MJ Duer, M Cusack, F Nudelman – Nature communications (2021) 12, 5383

(DOI: 10.1038/s41467-021-25613-4)

On the “Matsubara heating” of overtone intensities and Fermi splittings

RL Benson, SC Althorpe – Journal of Chemical Physics (2021) 155, 104107

(DOI: 10.1063/5.0056829)

In silico approaches in organ toxicity hazard assessment: current status and future needs in predicting liver toxicity.

A Bassan, VM Alves, A Amberg, LT Anger, S Auerbach, L Beilke, A Bender, MTD Cronin, KP Cross, J-H Hsieh, N Greene, R Kemper, MT Kim, M Mumtaz, T Noeske, M Pavan, J Pletz, DP Russo, Y Sabnis, M Schaefer, DT Szabo, J-P Valentin, J Wichard, D Williams, D Woolley, C Zwickl, GJ Myatt – Computational Toxicology (2021) 20, 100187

(DOI: 10.1016/j.comtox.2021.100187)

Myths of high-throughput experimentation and automation in chemistry

MJ Gaunt, JM Janey, DM Schultz, T Cernak – Chem (2021) 7, 2259

(DOI: 10.1016/j.chempr.2021.08.012)

Impacts of Hydroperoxymethyl Thioformate on the Global Marine Sulfur Budget

MAH Khan, TJ Bannan, R Holland, DE Shallcross, AT Archibald, E Matthews, A Back, J Allan, H Coe, P Artaxo, CJ Percival – ACS Earth and Space Chemistry (2021) 5, 2577

(DOI: 10.1021/acsearthspacechem.1c00218)

The Influence of Chemical and Mineral Compositions on the Parameterization of Immersion Freezing by Volcanic Ash Particles

NS Umo, R Ullrich, EC Maters, I Steinke, N Benker, K Höhler, R Wagner, PG Weidler, GA Hoshyaripour, A Kiselev, U Kueppers, K Kandler, DB Dingwell, T Leisner, O Möhler – Journal of Geophysical Research Atmospheres (2021) 126, ARTN e2020JD033356

(DOI: 10.1029/2020jd033356)

Visible light-mediated radical fluoromethylation via halogen atom transfer activation of fluoroiodomethane

PJ Deneny, R Kumar, MJ Gaunt – Chem Sci (2021) 12, 12812

(DOI: 10.1039/d1sc04554g)

Inhibition of Class A β-Lactamase (TEM-1) by Narrow Fractions of Humic Substances.

TA Mikhnevich, AV Vyatkina Turkova, VG Grigorenko, MY Rubtsova, GD Rukhovich, MA Letarova, DS Kravtsova, SA Vladimirov, AA Orlov, EN Nikolaev, A Zherebker, IV Perminova – ACS omega (2021) 6, 23873

(DOI: 10.1021/acsomega.1c02841)

Minimal Design Principles for Icosahedral Virus Capsids.

M Martín-Bravo, JMG Llorente, J Hernández-Rojas, DJ Wales – ACS nano (2021) 15, 14873

(DOI: 10.1021/acsnano.1c04952)

Overcoming Metastable CO2 Adsorption in a Bulky Diamine-Appended Metal-Organic Framework

B Dinakar, AC Forse, HZH Jiang, Z Zhu, J-H Lee, EJ Kim, ST Parker, CJ Pollak, RL Siegelman, PJ Milner, JA Reimer, JR Long – J Am Chem Soc (2021) 143, 15258

(DOI: 10.1021/jacs.1c06434)

Truce-Smiles Rearrangements by Strain Release: Harnessing Primary Alkyl Radicals for Metal-Free Arylation.

DM Whalley, J Seayad, MF Greaney – Angewandte Chemie (International ed. in English) (2021) 60, 22219

(DOI: 10.1002/anie.202108240)

Aggregation Condition-Structure Relationship of Mouse Prion Protein Fibrils

J Fridmanis, Z Toleikis, T Sneideris, M Ziaunys, R Bobrovs, V Smirnovas, K Jaudzems – Int J Mol Sci (2021) 22, 9635

(DOI: 10.3390/ijms22179635)

Halogen‐Bonding Strapped Porphyrin BODIPY Rotaxanes for Dual Optical and Electrochemical Anion Sensing

Y Cheong Tse, R Hein, EJ Mitchell, Z Zhang, PD Beer – Chemistry (Weinheim an der Bergstrasse, Germany) (2021) 27, 14550

(DOI: 10.1002/chem.202102493)

Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of N-Heterocycles.

S Manna, W-J Kong, J-E Bäckvall – Chemistry (2021) 27, 13725

(DOI: 10.1002/chem.202102483)

New Frontiers for Machine Learning in Protein Science.

AS Morgunov, KL Saar, M Vendruscolo, TPJ Knowles – J Mol Biol (2021) 433, 167232

(DOI: 10.1016/j.jmb.2021.167232)

Single-route delaminated clay composites for efficient visible-light photo-mineralization of antibiotic-resistant bacteria and associated genes in water

CG Ugwuja, D Olorunnisola, A Ogunlaja, OO Adelowo, A Taubert, GA Kolawole, OD Olukanni, JN Uwanibe, AT Kayode, P Hesemann, D Fatta-Kassinos, TAM Msagati, OA Folarin, SM Clarke, EI Unuabonah – Applied Catalysis B: Environmental (2021) 292, 120143

(DOI: 10.1016/j.apcatb.2021.120143)

Assessment of Therapeutic Antibody Developability by Combinations of In Vitro and In Silico Methods

A-M Wolf Pérez, N Lorenzen, M Vendruscolo, P Sormanni – Methods in molecular biology (Clifton, N.J.) (2021) 2313, 57

(DOI: 10.1007/978-1-0716-1450-1_4)