ArticleMaterials (Basel, Switzerland)2025
Zn Complex with Homovanillic Acid: Theoretical (B3LYP/6-311++G(d,p)), Structural (FT-IR, NMR), Thermal (TG, DTG, and DSC) and Biological (Antioxidant and Antimicrobial) Characteristics.
Article in Materials (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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2 citing papers in PubMed.
- DFT and TD-DFT insights into the conformational, electronic, and spectral properties of purine-based glycol nucleic acid (GNA) monophosphates and their Zn(II) coordination effects.Journal of computer-aided molecular design · 2026Article
- The Synthesis and Photophysical Performance of a Novel Z-Scheme HoNanomaterials (Basel, Switzerland) · 2025Article
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6 authors.
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Abstract
In this study, the structure of the synthesized Zn(II) complex with homovanillic acid (HVA) was investigated using the FT-IR, UV/Vis, and NMR spectroscopic methods, as well as elemental and thermal (TG, DTG, and DSC) analysis. The stoichiometric molar ratio of metal:ligand for the solid form of the complex was established as 1:2, with coordination through the carboxylate group and aromatic ring substituents. The theoretical structural and electronic parameters were calculated by the use of the B3LYP/6-311++G(d,p) method. Antioxidant properties were examined using spectroscopic tests: DPPH (1,1-diphenyl-2-picrylhydrazyl radical), FRAP (ferric reducing antioxidant activity), and ABTS (2,2'-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) (diammonium salt radical cation). The Zn(II) complex with HVA showed similar or lower antioxidant properties compared to the ligand, depending on the antioxidant assay. The antimicrobial activity of acid and its complex with Zn(II) against
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