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Results: 86
Enzymatic single-molecule kinetic isotope effects
Ensemble-based measurements of kinetic isotope effects (KIEs) have advanced physical understanding of enzyme-catalysed reactions, but controversies remain. KIEs are used as reporters of rate-limiting H-transfer steps, quantum...
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Ruthenium(II)-Catalyzed C–H Functionalization Using the Oxazolidinone Heterocycle as a Weakly Coordinating Directing Group
Herein, we report the ruthenium-catalyzed ortho C–H alkenylation of a wide range of N-aryloxazolidinone scaffolds. Alkenylation was achieved with complete monoselectivity with a scope of 27 examples in 2-MeTHF. Yields ranged...
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Understanding how the rate of C-H bond cleavage affects formate oxidation catalysis by a Mo-dependent formate dehydrogenase
Metal-dependent formate dehydrogenases (FDHs) catalyze the reversible conversion of formate into CO2, a proton and two electrons. Kinetic studies of FDHs provide key insights into their mechanism of catalysis, relevant as a...
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Lone-parent families and the Welfare State
K D M Snell, Jane Millar
Jan 01, 0001
As one of the most prestigious papers published in the journal Continuity and Change, this article is freely available from the website below.
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Ruthenium(II)-Catalyzed C–H Functionalization Using the Oxazolidinone Heterocycle as a Weakly Coordinating Directing Group
Herein, we report the ruthenium-catalyzed ortho C–H alkenylation of a wide range of N-aryloxazolidinone scaffolds. Alkenylation was achieved with complete monoselectivity with a scope of 27 examples in 2-MeTHF. Yields ranged...
Published by:
Lone-parent families and the Welfare State
K D M Snell, Jane Millar
Jan 01, 0001
As one of the most prestigious papers published in the journal Continuity and Change, this article is freely available from the website below.
Published by:
Enzymatic single-molecule kinetic isotope effects
Ensemble-based measurements of kinetic isotope effects (KIEs) have advanced physical understanding of enzyme-catalysed reactions, but controversies remain. KIEs are used as reporters of rate-limiting H-transfer steps, quantum...
Published by:
Fast protein motions are coupled to enzyme H-transfer reactions
Coupling of fast protein dynamics to enzyme chemistry is controversial and has ignited considerable debate, especially over the last 15 years in relation to enzyme-catalysed H-transfer. H-transfer can occur by quantum tunneling...
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Ensemble-averaged QM/MM kinetic isotope effects for the S<sub>N</sub>2 reaction of cyanide anions with chloroethane in DMSO solution
The existence of solvent fluctuations leads to populations of reactant-state (RS) and transition-state (TS) configurations and implies that property calculations must include appropriate averaging over distributions of values...
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Investigation of radical intermediates in polymer sonochemistry
There is current interest in using high-intensity ultrasound to perform a range of chemical transformations, including polymerisation reactions. In this work, the technique of radical trapping, primarily using DPPH, has been...
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Fast protein motions are coupled to enzyme H-transfer reactions
Coupling of fast protein dynamics to enzyme chemistry is controversial and has ignited considerable debate, especially over the last 15 years in relation to enzyme-catalysed H-transfer. H-transfer can occur by quantum tunneling...
Published by:
Ensemble-averaged QM/MM kinetic isotope effects for the S<sub>N</sub>2 reaction of cyanide anions with chloroethane in DMSO solution
The existence of solvent fluctuations leads to populations of reactant-state (RS) and transition-state (TS) configurations and implies that property calculations must include appropriate averaging over distributions of values...
Published by:
Investigation of radical intermediates in polymer sonochemistry
There is current interest in using high-intensity ultrasound to perform a range of chemical transformations, including polymerisation reactions. In this work, the technique of radical trapping, primarily using DPPH, has been...
Published by:
Kinetic isotope effects from QM/MM subset hessians
Ian H Williams
Feb 14, 2012
Isotopic partition-function ratios and kinetic isotope effects for reaction of S-adenosylmethionine with catecholate in water are evaluated using a subset of 324 atoms within its surrounding aqueous environment at the AM1/TIP3P...
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Ursinus Magazine, February 1972
Once a Paisley, always an Ursinus Philosophy of the game Births Weddings In memoriam Class news Mabel Pew Myrin, Board member, benefactor, dies Century II Spring calendar Spiritual life conference here Soph aids ailing...
Published by: Ursinus College
Kinetic isotope effects from QM/MM subset hessians
Ian H Williams
Feb 14, 2012
Isotopic partition-function ratios and kinetic isotope effects for reaction of S-adenosylmethionine with catecholate in water are evaluated using a subset of 324 atoms within its surrounding aqueous environment at the AM1/TIP3P...
Published by:
Ursinus Magazine, Spring 1970
From the President The history of chemistry and the Chemistry Department at Ursinus College Ecology: The "in" science Alumni Day 1970 Eleanor Snell and her belles Ursinus has raised $2,800,000 of $2,900,000 goal Regional...
Published by: Ursinus College

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