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Computational Modeling of Electrocatalysts for CO Reduction: Probing the Role of Primary, Secondary, and Outer Coordination Spheres.
Acc Chem Res
January 2025
The Department of Chemistry, State University of New York at Binghamton, Binghamton, New York 13902, United States.
ConspectusIn the search for efficient and selective electrocatalysts capable of converting greenhouse gases to value-added products, enzymes found in naturally existing bacteria provide the basis for most approaches toward electrocatalyst design. Ni,Fe-carbon monoxide dehydrogenase (Ni,Fe-CODH) is one such enzyme, with a nickel-iron-sulfur cluster named the C-cluster, where CO binds and is converted to CO at high rates near the thermodynamic potential. In this Account, we divide the enzyme's catalytic contributions into three categories based on location and function.
View Article and Find Full Text PDFThe formation of condensed heterochromatin is critical for establishing cell-specific transcriptional programs. To reveal structural transitions underlying heterochromatin formation in maturing mouse rod photoreceptors, we apply cryo-EM tomography, AI-assisted deep denoising, and molecular modeling. We find that chromatin isolated from immature retina cells contains many closely apposed nucleosomes with extremely short or absent nucleosome linkers, which are inconsistent with the typical two-start zigzag chromatin folding.
View Article and Find Full Text PDFEnvironmental impacts of restructuring the EU's natural gas supply and consumption: Learnings from the 2022 energy crisis.
iScience
January 2025
Institute for Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 1, 8093 Zürich, Switzerland.
In 2022, the European Union put forward the REPowerEU plan in response to Russia's invasion of Ukraine, aiming at enhancing short-term energy security by diversifying imports and reducing natural gas demand while accelerating the deployment of renewable alternatives in the long term. Here, we quantify the life cycle environmental impacts of both REPowerEU's short-term measures, including the controversial extended coal-fired power plant operations, and how the first year of the crisis was managed in practice. We find that the policy measures' impact on greenhouse gas (GHG) emissions would be negligible, although they could have detrimental effects on other environmental categories.
View Article and Find Full Text PDFHealthcare provision for displaced people in transit: Analyses of routinely collected data from INTERSOS clinics at the Ukrainian border with Moldova and Poland.
J Migr Health
December 2024
INTERSOS HELLAS, Thessaloniki, Greece.
Background: The Russian military invasion of Ukraine has sparked Europe's largest forced displacement since World War II, bringing about significant health vulnerabilities for migrants and refugees. European health information systems lack comprehensive data coverage, especially in underrepresented migration stages like transit. This study aims to address this gap by analyzing data from INTERSOS clinics at the Moldovan and Polish borders with Ukraine to identify the common health conditions prompting people to seek healthcare services during transit.
View Article and Find Full Text PDFAn Unexpected Water Channel in the Light-Harvesting Complex of a Diatom: Implications for the Switch between Light Harvesting and Photoprotection.
ACS Phys Chem Au
January 2025
School of Science, Constructor University, Campus Ring 1, 28759 Bremen, Germany.
Many important processes in cells depend on the transfer of protons through water wires embedded in transmembrane proteins. Herein, we have performed more than 55 μs all-atom simulations of the light-harvesting complex of a diatom, i.e.
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