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Mechanistic Insights into CO Adsorption of LiSiO at High Temperature.
Materials (Basel)
January 2025
Hunan Key Laboratory of Applied Environmental Photocatalysis, School of Materials and Environmental Engineering, Changsha University, Changsha 410022, China.
The development of materials with high adsorption capacity for capturing CO from industrial exhaust gases has proceeded rapidly in recent years. LiSiO has attracted attention due to its low cost, high capture capacity, and good cycling stability for direct high-temperature CO capture. Thus far, the CO adsorption mechanism of LiSiO is poorly understood, and detailed phase transformations during the CO adsorption process are missing.
View Article and Find Full Text PDFIn situ arsenic immobilization by natural iron (oxyhydr)oxide precipitates in As-contaminated groundwater irrigation canals.
J Environ Sci (China)
July 2025
Key Laboratory for Water Quality and Conservation of the Pearl River Delta, Ministry of Education, School of Environmental Science and Engineering, Guangzhou University, Guangzhou 510006, China. Electronic address:
Arsenic-contaminated groundwater is widely used in agriculture. To meet the increasing demand for safe water in agriculture, an efficient and cost-effective method for As removal from groundwater is urgently needed. We hypothesized that Fe (oxyhydr)oxide (FeOOH) minerals precipitated in situ from indigenous Fe in groundwater may immobilize As, providing a solution for safely using As-contaminated groundwater in irrigation.
View Article and Find Full Text PDFComputational Insights into the Mechanism of Lewis Acid-Catalyzed Alkene-Aldehyde Coupling.
Chempluschem
January 2025
University of Vienna, Faculty of Chemistry, Währinger Str. 17, 1090, Vienna, AUSTRIA.
The Lewis acid-catalyzed coupling of alkenes and aldehydes presents a modern, versatile synthetic alternative to classical carbonyl addition chemistry, offering exceptional regio- and stereoselectivity. In this work, we present a comprehensive computational investigation into the reaction mechanism of this transformation. Our findings confirm the occurrence of an enantioselective trans-annular [1,5]-hydride shift step and demonstrate that the enantioselectivity of the reaction arises predominantly from steric clashes between functional groups in the cyclization step.
View Article and Find Full Text PDFSynthesis, Structure, and Redox Reactivity of Ni Complexes Bearing a Redox and Acid-Base Non-innocent Ligand with Ni, Ni, and Ni Formal Oxidation States.
J Am Chem Soc
January 2025
Department of Chemistry and Nano Science, Ewha Womans University, Seoul 03760, Korea.
A series of Ni complexes bearing a redox and acid-base noninnocent tetraamido macrocyclic ligand, H-(TAML-4) {H-(TAML-4) = 15,15-dimethyl-5,8,13,17-tetrahydro-5,8,13,17-tetraaza-dibenzo[]cyclotridecene-6,7,14,16-tetraone}, with formal oxidation states of Ni, Ni, and Ni were synthesized and characterized structurally and spectroscopically. The X-ray crystallographic analysis of the Ni complexes revealed a square planar geometry, and the [Ni(TAML-4)] complex with the formal oxidation state of Ni was characterized to be [Ni(TAML-4)] with the oxidation state of the Ni ion and the one-electron oxidized TAML-4 ligand, TAML-4. The Ni oxidation state and the TAML-4 radical cation ligand, TAML-4, were supported by X-ray absorption spectroscopy and density functional theory calculations.
View Article and Find Full Text PDFMolecular mechanisms behind the anti corona virus activity of small metal oxide nanoparticles.
Nanoscale
January 2025
Department of Molecular Science, BioCenter, Swedish University of Agricultural Sciences, Box 7015, 75007 Uppsala, Sweden.
The recent COVID-19 pandemic has set a strong quest for advanced understanding of possible tracks in abating and eliminating viral infections. In the view that several families of "pristine" small oxide nanoparticles (NPs) have demonstrated viricidal activity against SARS-CoV-2, we studied the effect of two NPs, with presumably different reactivity, on two viruses aiming to evaluate two "primary suspect" routes of their antiviral activity, either specific blocking of surface proteins or causing membrane disruption. The chosen NPs were non-photoactive 3.
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