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Citrobacter sp. S-77 [NiFe]-hydrogenase harbors a standard [4Fe-4S] cluster proximal to the Ni-Fe active site. The presence of relocatable water molecules and a flexible aspartate enables the [4Fe-4S] to display redox-dependent conformational changes. These structural features are proposed to be the key aspects that protect the active site from O2 attack.
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http://dx.doi.org/10.1039/c8cc06261g | DOI Listing |
J Phys Chem A
September 2025
Department of Chemistry, Tsinghua University, Beijing 100084, China.
A series of Cu-based single-atom catalysts (SACs) with asymmetric coordination were designed to accelerate lithium-sulfur (Li-S) chemistry. The electronegativity contrast from the dopant induces a localized electronic asymmetry that amplifies Jahn-Teller distortion at the Cu center. This distortion profoundly modulates the Cu 3d electronic structure and its interaction with Li-S intermediates.
View Article and Find Full Text PDFMol Divers
September 2025
Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, 11942, Al Kharj, Saudi Arabia.
Cyclin-dependent kinase 20 (CDK20), also known as cell cycle-related kinase (CCRK), plays a pivotal role in hepatocellular carcinoma (HCC) progression by regulating β-catenin signaling and promoting uncontrolled proliferation. Despite its emerging significance, selective small-molecule inhibitors of CDK20 remain unexplored. In this study, a known CDK20 inhibitor, ISM042-2-048, was employed as a reference to retrieve structurally similar compounds from the PubChem database using an 85% similarity threshold.
View Article and Find Full Text PDFDalton Trans
September 2025
Department of Chemistry, University of Zululand, Private Bag X1001, KwaDlangezwa 3880, South Africa.
To overcome the potential issue of active site blockage by surfactants in colloidal synthesis, alternative synthetic approaches must be explored. In this study, we investigated both solvent-free and colloidal thermolysis routes to synthesize nickel sulfides (NiS and NiS) using sulfur-based Ni complexes, [Ni(SCO(CH))] (Ni-Xan) and [Ni(SCN(CH))] (Ni-DTC) as precursors. The solvent-free decomposition of these complexes produced ligand-free NiS and NiS in the absence or presence of triphenylphosphine (TPP), respectively.
View Article and Find Full Text PDFJ Mater Chem B
September 2025
Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar, Punjab 140001, India.
The unregulated use and improper disposal of active pharmaceutical ingredients (APIs), particularly phenylbutazone (PBZ), are contaminating water resources and posing serious risks to the food chain. PBZ is a nonsteroidal anti-inflammatory drug (NSAID) commonly used for treating pain and fever in animals, and its persistence in the environment due to inadequate waste management has become a cause of concern. To address this, we report the fabrication of benzimidazole-based self-assembled nanomicelles (R2 NMs) for selective detection and removal of PBZ.
View Article and Find Full Text PDFChem Commun (Camb)
September 2025
Key Laboratory of Special Functional Materials for Ecological Environment and Information (Ministry of Education), School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, P. R. China.
High-performance, low-cost electrocatalysts are essential for freshwater-independent seawater electrolysis. We design a SWCNT-supported (FeCoNiMnCr)O high-entropy spinel oxide by a hydrothermal method and air-firing, where the conductive network enhances charge transfer and active site exposure. The catalyst achieves 282 mV@10 mA cm with 100 h stability in alkaline seawater.
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