Protein dynamics and enzymatic catalysis

SD Schwartz - The Journal of Physical Chemistry B, 2023 - ACS Publications
This Perspective presents a review of our work and that of others in the highly controversial
topic of the coupling of protein dynamics to reaction in enzymes. We have been involved in …

Direct Biocatalytic Processes for CO2 Capture as a Green Tool to Produce Value-Added Chemicals

R Villa, S Nieto, A Donaire, P Lozano - Molecules, 2023 - mdpi.com
Direct biocatalytic processes for CO2 capture and transformation in value-added chemicals
may be considered a useful tool for reducing the concentration of this greenhouse gas in the …

Temporal and spatial resolution of distal protein motions that activate hydrogen tunneling in soybean lipoxygenase

JPT Zaragoza, AR Offenbacher, S Hu… - Proceedings of the …, 2023 - National Acad Sciences
The enzyme soybean lipoxygenase (SLO) provides a prototype for deep tunneling
mechanisms in hydrogen transfer catalysis. This work combines room temperature X-ray …

Microenvironment: An efficient avenue for converting CO2 to high-value compounds

X Ji, H Guo, Y Xue, Y Huang, S Zhang - Renewable and Sustainable …, 2023 - Elsevier
The greenhouse gas CO 2 is of considerable and particular interest for use as a next
generation feedstock in different types of bioconversions to create valuable products on a …

[HTML][HTML] Transparent window 2D IR spectroscopy of proteins

MC Thielges - The Journal of chemical physics, 2021 - pubs.aip.org
Proteins are complex, heterogeneous macromolecules that exist as ensembles of
interconverting states on a complex energy landscape. A complete, molecular-level …

Ultrafast 2D-IR spectroscopy of [NiFe] hydrogenase from E. coli reveals the role of the protein scaffold in controlling the active site environment

SLD Wrathall, B Procacci, M Horch, E Saxton… - Physical Chemistry …, 2022 - pubs.rsc.org
Ultrafast two-dimensional infrared (2D-IR) spectroscopy of Escherichia coli Hyd-1 (EcHyd-1)
reveals the structural and dynamic influence of the protein scaffold on the Fe (CO)(CN) 2 unit …

[HTML][HTML] 2D-IR spectroscopy of proteins in H2O—A Perspective

SH Rutherford, MJ Baker, NT Hunt - The Journal of Chemical Physics, 2023 - pubs.aip.org
The form of the amide I infrared absorption band provides a sensitive probe of the secondary
structure and dynamics of proteins in the solution phase. However, the frequency …

Utilization of Cofactor Binding Energy for Enzyme Catalysis: Formate Dehydrogenase-Catalyzed Reactions of the Whole NAD Cofactor and Cofactor Pieces

JR Cristobal, RW Nagorski, JP Richard - Biochemistry, 2023 - ACS Publications
The pressure to optimize enzymatic rate accelerations has driven the evolution of the
induced-fit mechanism for enzyme catalysts where the binding interactions of nonreacting …

Structural Effects on the Temperature Dependence of Hydride Kinetic Isotope Effects of the NADH/NAD+ Model Reactions in Acetonitrile: Charge-Transfer Complex …

A Beach, P Adhikari, G Singh, M Song… - The Journal of …, 2024 - ACS Publications
It has recently frequently been found that the kinetic isotope effect (KIE) is independent of
temperature (T) in H-tunneling reactions in enzymes but becomes dependent on T in their …

Solvent Effects on the Temperature Dependence of Hydride Kinetic Isotope Effects: Correlation to the Donor–Acceptor Distances

P Adhikari, M Song, M Bai, P Rijal… - The Journal of …, 2022 - ACS Publications
Protein structural effects on the temperature (T) dependence of kinetic isotope effects (KIEs)
in H-tunneling reactions have recently been used to discuss about the role of enzyme …