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Formation of new crystalline qtz-[Zn(mIm)2] polymorph from amorphous ZIF-8

Chemical Communications Royal Society of Chemistry 58:85 (2022) 11949-11952

Authors:

Michael F Thorne, Celia Castillo-Blas, Lauren N McHugh, Alice M Bumstead, Georgina Robertson, Adam F Sapnik, Chloe S Coates, Farheen N Sayed, Clare P Grey, David A Keen, Martin Etter, Ivan da Silva, Krunoslav Užarević, Thomas D Bennett

Abstract:

gas sorption properties and dye adsorption ability were investigated.
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Modeling the Effect of Defects and Disorder in Amorphous Metal–Organic Frameworks

Chemistry of Materials American Chemical Society (ACS) 34:20 (2022) 9042-9054

Authors:

Irene Bechis, Adam F Sapnik, Andrew Tarzia, Emma H Wolpert, Matthew A Addicoat, David A Keen, Thomas D Bennett, Kim E Jelfs
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Magnetotransport of single crystal Sm$_2$Ir$_2$O$_7$ across the pressure-induced quantum-critical phase boundary

(2022)

Authors:

MJ Coak, K Götze, T Northam De La Fuente, C Castelnovo, JP Tidey, J Singleton, AT Boothroyd, D Prabhakaran, PA Goddard
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Semi‐analytic theory of multiphonon effects on the static structure factors of warm solids

Acta Crystallographica Section A: Foundations and advances International Union of Crystallography (IUCr) 78:5 (2022) 415-421
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An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction

Chemical Science Royal Society of Chemistry 13:34 (2022) 10057-10065

Authors:

Victoria N Drago, Steven Dajnowicz, Jerry M Parks, Matthew P Blakeley, David A Keen, Nicolas Coquelle, Kevin L Weiss, Oksana Gerlits, Andrey Kovalevsky, Timothy C Mueser

Abstract:

and catalytic Lys258 Nζ amino groups an equally shared deuterium is observed in an apparent low-barrier hydrogen bond (LBHB). Density functional theory calculations were performed to provide further evidence of this LBHB interaction. The structural arrangement and the juxtaposition of PMP and Lys258, facilitated by the LBHB, suggests active site preorganization for the incoming ketoacid substrate that initiates the second half-reaction.
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