Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Ryne C. Johnston"'
Autor:
Steven Dajnowicz, Ryne C. Johnston, Jerry M. Parks, Matthew P. Blakeley, David A. Keen, Kevin L. Weiss, Oksana Gerlits, Andrey Kovalevsky, Timothy C. Mueser
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-9 (2017)
Pyridoxal 5’-phosphate (PLP) is a ubiquitous co factor for diverse enzymes, among them aspartate aminotransferase. Here the authors use neutron crystallography, which allows the visualization of the positions of hydrogen atoms, and computation to c
Externí odkaz:
https://doaj.org/article/3f5fbae599884609a7b1076b862da5d3
Autor:
Ryne C. Johnston, Kun Yao, Zachary Kaplan, Monica Chelliah, Karl Leswing, Sean Seekins, Shawn Watts, David Calkins, Jackson Chief Elk, Steven V. Jerome, Matthew P. Repasky, John C. Shelley
Publikováno v:
Journal of Chemical Theory and Computation. 19:2380-2388
Autor:
Zhongyu Mou, Connor J. Cooper, Baohua Gu, Jerry M. Parks, Niranjan Govind, Sofi Jonsson, Ryne C. Johnston, Peng Lian, Scott C. Brooks
Publikováno v:
The Journal of Physical Chemistry A. 125:5397-5405
Mercury (Hg) pollution is a global environmental problem. The abiotic formation of dimethylmercury (DMeHg) from monomethylmercury (MMeHg) may account for a large portion of DMeHg in oceans. Previous experimental work has shown that abiotic formation
Autor:
Connor J. Cooper, Zhongyu Mou, Alan W. Rudie, Ryne C. Johnston, Alexander S. Ivanov, Joseph J. Bozell, Shahrina Alam, Vincent de Paul Nzuwah Nziko, David B. Turpin, Jerry M. Parks, Thomas Elder
Publikováno v:
ACS Sustainable Chemistry & Engineering. 8:7225-7234
Lignin is a highly abundant polyphenolic polymer that imparts mechanical strength to plant biomass. Transition-metal complexes can catalyze lignin oxidation to produce value-added products, but low...
Autor:
Xiche Hu, Jerry M. Parks, Ryne C. Johnston, Timothy C. Mueser, Steven Dajnowicz, Andrey Kovalevsky
Publikováno v:
ACS Catalysis. 8:6733-6737
Pyridoxal 5′-phosphate (PLP)-dependent enzymes facilitate reaction specificity by aligning the scissile σ-bond of the PLP-substrate covalent complex perpendicular to the ring of the cofactor. Current models propose that this alignment causes a des
Publikováno v:
The Journal of Physical Chemistry A. 122:4366-4374
Developing accurate quantum chemical approaches for calculating pKas is of broad interest. Useful accuracy can be obtained by using density functional theory (DFT) in combination with a polarizable continuum solvent model. However, some classes of mo
Autor:
Ashley A. Jaworski, Paul Ha-Yeon Cheong, M. Todd Hovey, Hannah V. Baker, Karl A. Scheidt, Ryne C. Johnston, Daniel M. Walden, Matthew P. Meyer
Publikováno v:
The Journal of Organic Chemistry. 82:7183-7189
Since the first report of a facile, room temperature process to access aza-ortho-quinone methides (aoQMs) by Corey in 1999, this chemistry has remained dormant until our report of an enantioselective catalytic example in 2014. We report a theoretical
Autor:
Baohua Gu, Benjamin F. Mann, Jerry M. Parks, Ryne C. Johnston, Rosalie K. Chu, Nikola Tolić, Hongmei Chen
Publikováno v:
Environmental Science & Technology Letters. 4:59-65
The chemical speciation and bioavailability of mercury (Hg) is markedly influenced by its complexation with naturally dissolved organic matter (DOM) in aquatic environments. To date, however, analytical methodologies capable of identifying such compl
Publikováno v:
The Journal of Physical Chemistry B. 120:7307-7318
Redox processes in complex transition metal-containing species are often intimately associated with changes in ligand protonation states and metal coordination number. A major challenge is therefore to develop consistent computational approaches for
Publikováno v:
The Journal of Organic Chemistry. 81:3629-3637
The mechanistic exploration and an expanded experimental discussion of the organocatalyzed, asymmetric Pfau-d'Angelo reaction by exploiting a bifunctional 1° amine thiourea catalyst system is disclosed. Notable breadth in substrate scope has been de