Document Type

Article

Disciplines

1.6 BIOLOGICAL SCIENCES

Publication Details

https://www.mdpi.com/1420-3049/28/11/4560

Molecules 2023, 28(11), 4560; https://doi.org/10.3390/molecules28114560

Abstract

Tackling antimicrobial resistance is of increasing concern in a post-pandemic world where overuse of antibiotics has increased the threat of another pandemic caused by antimicrobial-resistant pathogens. Derivatives of coumarins, a naturally occurring bioactive compound, and its metal complexes have proven therapeutic potential as antimicrobial agents and in this study a series of copper(II) and zinc(II) complexes of coumarin oxyacetate ligands were synthesised and characterised by spectroscopic techniques (IR, 1H, 13C NMR, UV-Vis) and by X-ray crystallography for two of the zinc complexes. The experimental spectroscopic data were then interpreted on the basis of molecular structure modelling and subsequent spectra simulation using the density functional theory method to identify the coordination mode in solution for the metal ions in the complexes.

DOI

https://doi.org/10.3390/molecules28114560

Funder

Technological Sector Research Programme, Strand III CRS-02 TA01-4 under the European Social Fund and by the Centre of Applied Science for Health, TU Dublin funded under PRTLI-5 funding; European Regional Development Fund within the Operational Programme “Science and Education for Smart Growth 2014–2020” under the Project CoE “National Center of Mechatronics and Clean Technologies” (BG05M2OP001-1.001-0008) (I.G.) for supplying a license of program package Gaussian16). I.G also acknowledges the provided access to the e-infrastructure of the NCHDC—part of the Bulgarian National Roadmap on RIs, with the financial support by the Grant No. D01-387/18.12.2020.

Creative Commons License

Creative Commons Attribution-Share Alike 4.0 International License
This work is licensed under a Creative Commons Attribution-Share Alike 4.0 International License.

Download


Included in

Biochemistry Commons

Share

COinS