Transforming contaminant ligands at water–solid interfaces via trivalent metal coordination

Environment International, Journal Year: 2024, Volume and Issue: unknown, P. 109008 - 109008

Published: Sept. 1, 2024

Language: Английский

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Computational analysis of bare and alkali metal-encapsulated Al12N12 nanocages for enhanced removal of fluoroquinolone antibiotics from wastewater

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: unknown, P. 126042 - 126042

Published: Sept. 1, 2024

Language: Английский

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Boron carbide biodevices for disease-specific biomarker detection: a theoretical study

Journal of Coordination Chemistry, Journal Year: 2024, Volume and Issue: unknown, P. 1 - 12

Published: Nov. 8, 2024

An effective approach for early diagnosis of lung cancer involves detecting its biomarkers in the patient's exhaled breath. Acetone was identified as a vital biomarker, showing significant elevation cancer. Two-dimensional boron carbide materials offer benefits such resistance to high temperatures, stability, and excellent sensitivity toward toxic gas molecules. Here, we explore acetone adsorption on pristine transition metal (TM)-doped (Sc, Ti, V, Cr, Mn) monolayers (BCMs) with density functional theory calculations. Our results revealed that V-, Cr-, Mn-doped BCM show larger energy values compared surface. The change band gap surfaces after is obtained between 55 275%. work function variation studied upon has been also investigated systems are sensitive This suggests BCM-based layers can be used biosensor identify VOC acetone.

Language: Английский

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Capacities of metal-doped nanocages for flutamide and cyclophosphamide delivery as anticancer drug

Journal of Molecular Modeling, Journal Year: 2024, Volume and Issue: 31(1)

Published: Dec. 5, 2024

Language: Английский

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