Marcetta Darensbourg

Dinitrosyl iron complexes (DNICs) as inhibitors of the SARS-CoV-2 main protease

Chemical Communications · 2021 · 12 citations

of 38 ± 2 μM for TGTA-RRE and 33 ± 2 μM for TG-RRE. This study presents a simple computational method for predicting DNIC-protein interactions; the in vitro study is consistent with in silico leads.

The roles of chalcogenides in O₂ protection of H₂ase active sites

Chemical Science · 2020 · 10 citations

ase active sites.

Development of (NO)Fe(N₂S₂) as a Metallodithiolate Spin Probe Ligand: A Case Study Approach

Accounts of Chemical Research · 2024-02-28 · 9 citations

ConspectusThe ubiquity of sulfur–metal connections in nature inspires the design of bi- and multimetallic systems in synthetic inorganic chemistry. Common motifs for biocatalysts developed in evolutionary biology include the placement of metals in close proximity with flexible sulfur bridges as well as the presence of π-acidic/delocalizing ligands. This Account will delve into the development of a (NO)Fe(N2S2) metallodithiolate ligand that harnesses these principles. The Fe(NO) unit is the centr…

Sustainable Synthesis of Polycarbonates and Polythiocarbonates from Biomass-Based Eugenol-Furoic Acid-Derived Monomer and CO₂ and COS: Computational Insights

Macromolecules · 2025-05-16 · 7 citations

In recent years, chemists worldwide have made tremendous progress in synthesizing sustainable polymers using monomers derived from renewable feedstocks. This transition is driven by the continuous adverse accumulation of nonbiodegradable, petroleum-based polymers in the ecosystem, as well as achieving long-term goals such as economic sustainability and the depletion of nonrenewable resources. Herein, we report the sustainable synthesis of an epoxide monomer derived exclusively from the renewable…

Sulfur Lone Pairs Control Topology in Heterotrimetallic Complexes: An Experimental and Theoretical Study

ACS Organic & Inorganic Au · 2023-09-14 · 3 citations

Heterotrimetallic complexes with (N2S2)M metallodithiolates, M = Ni2+, [Fe(NO)]2+, and [Co(NO)]2+, as bidentate chelating ligands to a central trans-Cr(NO)(MeCN) unit were characterized as the first members of a new class, NiCrNi, FeCrFe, CoCrCo. The complexes exhibit a cisoid structural topology, ascribed to the stereoactivity of the available lone pair(s) on the sulfur donors, resulting in a dispersed, electropositive pocket from the N/N and N/S hydrocarbon linkers wherein the Cr-NO site is ho…