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Currently displaying 3761 - 3780 of 29819 publications

Modulating Chalcogen Bonding and Halogen Bonding Sigma-Hole Donor Atom Potency and Selectivity for Halide Anion Recognition

A Docker, CH Guthrie, H Kuhn, PD Beer – Angew Chem Int Ed Engl (2021) 60, 21973

(DOI: 10.1002/anie.202108591)

The Amyloid-β Pathway in Alzheimer's Disease

H Hampel, J Hardy, K Blennow, C Chen, G Perry, SH Kim, VL Villemagne, P Aisen, M Vendruscolo, T Iwatsubo, CL Masters, M Cho, L Lannfelt, JL Cummings, A Vergallo – Mol Psychiatry (2021) 26, 5481

(DOI: 10.1038/s41380-021-01249-0)

Visible light photocatalysts from low-grade iron ore: the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites

M Periyasamy, S Sain, E Ghosh, KJ Jenkinson, AEH Wheatley, S Mukhopadhyay, A Kar – Environ Sci Pollut Res Int (2021) 29, 6698

(DOI: 10.1007/s11356-021-15972-2)

Visible light photocatalysts from low-grade iron ore; the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites

M Periyasamy, S Sain, E Ghosh, KJ Jenkinson, AEH Wheatley, S Mukhopadhyay, A Kar – Environmental Science and Pollution Research (2021) 29, 6698

(DOI: 10.1007/s11356-021-15972-2)

Antibonding-Induced Anomalous Temperature Dependence of the Band Gap in Crystalline Ge2Sb2Te5

Y Huang, J Zhou, L Peng, K Li, SR Elliott, Z Sun – Journal of Physical Chemistry C (2021) 125, 19537

(DOI: 10.1021/acs.jpcc.1c05342)

Automated and Continuous-Flow Platform to Analyze Semiconductor-Metal Complex Hybrid Systems for Photocatalytic CO<sub>2</sub> Reduction

CD Sahm, GM Ucoski, S Roy, E Reisner – ACS Catalysis (2021) 11, 11266

(DOI: 10.1021/acscatal.1c02921)

Cerebral Microdialysate Metabolite Monitoring using Mid-infrared Spectroscopy

FC Alimagham, D Hutter, N Marco-García, E Gould, VH Highland, A Huefner, S Giorgi-Coll, MJ Killen, AP Zakrzewska, SR Elliott, KLH Carpenter, PJ Hutchinson, T Hutter – Analytical chemistry (2021) 93, 11929

(DOI: 10.1021/acs.analchem.1c01149)

Correlating Local Structure and Sodium Storage in Hard Carbon Anodes: Insights from Pair Distribution Function Analysis and Solid-State NMR.

JM Stratford, AK Kleppe, DS Keeble, PA Chater, SS Meysami, CJ Wright, J Barker, M-M Titirici, PK Allan, CP Grey – Journal of the American Chemical Society (2021) 143, 14274

(DOI: 10.1021/jacs.1c06058)

Counterbalancing light absorption and ionic transport losses in the electrolyte for integrated solar water splitting with III-V/Si dual-junctions

M Kölbach, C Özen, O Höhn, D Lackner, M Feifel, FF Abdi, MM May – APPLIED PHYSICS LETTERS (2021) 119, 083904

(DOI: 10.1063/5.0060700)

High-throughput selection and characterisation of aptamers on optical next-generation sequencers

A Drees, M Fischer – International Journal of Molecular Sciences (2021) 22, 9202

(DOI: 10.3390/ijms22179202)

Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater

K Desboeufs, F Fu, M Bressac, A Tovar-Sánchez, S Triquet, J-F Doussin, C Giorio, P Chazette, J Disnaquet, A Feron, P Formenti, F Maisonneuve, A Rodríguez-Romero, P Zapf, F Dulac, C Guieu – (2021)

(DOI: 10.5194/acp-2021-624)

Alpha Synuclein only Forms Fibrils In Vitro when Larger than its Critical Size of 70 Monomers

SE Sanchez, DR Whiten, G Meisl, FS Ruggeri, E Hidari, D Klenerman – Chembiochem : a European journal of chemical biology (2021) 22, 2867

(DOI: 10.1002/cbic.202100285)

Differential interaction with <scp>TREM2</scp> modulates microglial uptake of modified Aβ species

P Joshi, F Riffel, K Satoh, M Enomoto, S Qamar, H Scheiblich, N Villacampa, S Kumar, S Theil, S Parhizkar, C Haass, MT Heneka, PE Fraser, P St George-Hyslop, J Walter – Glia (2021) 69, 2917

(DOI: 10.1002/glia.24077)

Targeted modulation of protein liquid-liquid phase separation by evolution of amino-acid sequence.

SM Lichtinger, A Garaizar, R Collepardo-Guevara, A Reinhardt – PLoS Computational Biology (2021) 17, e1009328

(DOI: 10.1371/journal.pcbi.1009328)

A 68-codon genetic code to incorporate four distinct non-canonical amino acids enabled by automated orthogonal mRNA design.

DL Dunkelmann, SB Oehm, AT Beattie, JW Chin – Nat Chem (2021) 13, 1110

(DOI: 10.1038/s41557-021-00764-5)

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, P Pokhilko, AF White, MP Coons, AL Dempwolff, Z Gan, D Hait, PR Horn, LD Jacobson, I Kaliman, J Kussmann, AW Lange, KU Lao, DS Levine, J Liu, SC McKenzie, AF Morrison, KD Nanda, F Plasser, DR Rehn, ML Vidal, Z-Q You, Y Zhu, B Alam, BJ Albrecht, A Aldossary, E Alguire, JH Andersen, V Athavale, D Barton, K Begam, A Behn, N Bellonzi, YA Bernard, EJ Berquist, HGA Burton, A Carreras, K Carter-Fenk, R Chakraborty, AD Chien, KD Closser, V Cofer-Shabica, S Dasgupta, M de Wergifosse, J Deng, M Diedenhofen, H Do, S Ehlert, P-T Fang, S Fatehi, Q Feng, T Friedhoff, J Gayvert, Q Ge, G Gidofalvi, M Goldey, J Gomes, CE González-Espinoza, S Gulania, AO Gunina, MWD Hanson-Heine, PHP Harbach, A Hauser, MF Herbst, M Hernández Vera, M Hodecker, ZC Holden, S Houck, X Huang, K Hui, BC Huynh, M Ivanov, Á Jász, H Ji, H Jiang, B Kaduk, S Kähler, K Khistyaev, J Kim, G Kis, P Klunzinger, Z Koczor-Benda, JH Koh, D Kosenkov, L Koulias, T Kowalczyk, CM Krauter, K Kue, A Kunitsa, T Kus, I Ladjánszki, A Landau, KV Lawler, D Lefrancois, S Lehtola, RR Li, Y-P Li, J Liang, M Liebenthal, H-H Lin, Y-S Lin, F Liu, K-Y Liu, M Loipersberger, A Luenser, A Manjanath, P Manohar, E Mansoor, SF Manzer, S-P Mao, AV Marenich, T Markovich, S Mason, SA Maurer, PF McLaughlin, MFSJ Menger, J-M Mewes, SA Mewes, P Morgante, JW Mullinax, KJ Oosterbaan, G Paran, AC Paul, SK Paul, F Pavošević, Z Pei, S Prager, EI Proynov, Á Rák, E Ramos-Cordoba, B Rana, AE Rask, A Rettig, RM Richard, F Rob, E Rossomme, T Scheele, M Scheurer, M Schneider, N Sergueev, SM Sharada, W Skomorowski, DW Small, CJ Stein, Y-C Su, EJ Sundstrom, Z Tao, J Thirman, GJ Tornai, T Tsuchimochi, NM Tubman, SP Veccham, O Vydrov, J Wenzel, J Witte, A Yamada, K Yao, S Yeganeh, SR Yost, A Zech, IY Zhang, X Zhang, Y Zhang, D Zuev, A Aspuru-Guzik, AT Bell, NA Besley, KB Bravaya, BR Brooks, D Casanova, J-D Chai, S Coriani, CJ Cramer, G Cserey, AE DePrince, RA DiStasio, A Dreuw, BD Dunietz, TR Furlani, WA Goddard, S Hammes-Schiffer, T Head-Gordon, WJ Hehre, C-P Hsu, T-C Jagau, Y Jung, A Klamt, J Kong, DS Lambrecht, W Liang, NJ Mayhall, CW McCurdy, JB Neaton, C Ochsenfeld, JA Parkhill, R Peverati, VA Rassolov, Y Shao, LV Slipchenko, T Stauch, RP Steele, JE Subotnik, AJW Thom, A Tkatchenko, DG Truhlar, T Van Voorhis, TA Wesolowski, KB Whaley, HL Woodcock, PM Zimmerman, S Faraji, PMW Gill, M Head-Gordon, JM Herbert, AI Krylov – J Chem Phys (2021) 155, 084801

(DOI: 10.1063/5.0055522)

Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging

MSC Gravett, RC Cocking, AP Curd, O Harlen, J Leng, SP Muench, M Peckham, DJ Read, JF Rogers, RC Welch, SA Harris – WIREs Computational Molecular Science (2021) 12, ARTN e1570

(DOI: 10.1002/wcms.1570)