Taking Ockham's razor to enzyme dynamics and catalysis

DR Glowacki, JN Harvey, AJ Mulholland - Nature chemistry, 2012 - nature.com
The role of protein dynamics in enzyme catalysis is a matter of intense current debate.
Enzyme-catalysed reactions that involve significant quantum tunnelling can give rise to …

Possible Mechanisms of Biological Effects Observed in Living Systems during 2H/1H Isotope Fractionation and Deuterium Interactions with Other Biogenic Isotopes

A Basov, L Fedulova, E Vasilevskaya, S Dzhimak - Molecules, 2019 - mdpi.com
This article presents the original descriptions of some recent physics mechanisms (based on
the thermodynamic, kinetic, and quantum tunnel effects) providing stable 2H/1H isotope …

Intercepting elusive intermediates in Cu-mediated CO electrochemical reduction with alkyl species

J Li, C Li, J Hou, W Gao, X Chang, Q Lu… - Journal of the American …, 2022 - ACS Publications
Understanding of the reaction network of Cu-catalyzed CO2/CO electroreduction reaction
[CO (2) RR] remains incomplete despite intense research efforts. This is in part because the …

Unimolecular reaction pathways of a γ-ketohydroperoxide from combined application of automated reaction discovery methods

CA Grambow, A Jamal, YP Li, WH Green… - Journal of the …, 2018 - ACS Publications
Ketohydroperoxides are important in liquid-phase autoxidation and in gas-phase partial
oxidation and pre-ignition chemistry, but because of their low concentration, instability, and …

Steering proton migration in hydrocarbons using intense few-cycle laser fields

M Kübel, R Siemering, C Burger, NG Kling, H Li… - Physical Review Letters, 2016 - APS
Proton migration is a ubiquitous process in chemical reactions related to biology,
combustion, and catalysis. Thus, the ability to manipulate the movement of nuclei with …

Photo-tautomerization of acetaldehyde to vinyl alcohol: A potential route to tropospheric acids

DU Andrews, BR Heazlewood, AT Maccarone… - Science, 2012 - science.org
Current atmospheric models underestimate the production of organic acids in the
troposphere. We report a detailed kinetic model of the photochemistry of acetaldehyde …

Photo-tautomerization of acetaldehyde as a photochemical source of formic acid in the troposphere

MF Shaw, B Sztáray, LK Whalley, DE Heard… - Nature …, 2018 - nature.com
Organic acids play a key role in the troposphere, contributing to atmospheric aqueous-
phase chemistry, aerosol formation, and precipitation acidity. Atmospheric models currently …

Statistical theory for the kinetics and dynamics of roaming reactions

SJ Klippenstein, Y Georgievskii… - The Journal of Physical …, 2011 - ACS Publications
We present a statistical theory for the effect of roaming pathways on product branching
fractions in both unimolecular and bimolecular reactions. The analysis employs a separation …

Experimental evidence of dioxole unimolecular decay pathway for isoprene-derived Criegee intermediates

MF Vansco, RL Caravan, K Zuraski… - The Journal of …, 2020 - ACS Publications
Ozonolysis of isoprene, one of the most abundant volatile organic compounds emitted into
the Earth's atmosphere, generates two four-carbon unsaturated Criegee intermediates …

Harnessing the duality of bases toward controlled color and fluorescence

D Wang, Y Wang, TJ Zimudzi, LQ Chen, J Yang - Science Advances, 2024 - science.org
Bases can promote keto-enol tautomerism, a prevalent form of prototropic tautomerism, and
facilitate the ring opening of anhydride ring structures. The intrinsic chemical distinctions …