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- Title
Comparison of Physicochemical, Antioxidant, and Cytotoxic Properties of Caffeic Acid Conjugates.
- Authors
Świderski, Grzegorz; Gołębiewska, Ewelina; Kalinowska, Monika; Świsłocka, Renata; Kowalczyk, Natalia; Jabłońska-Trypuć, Agata; Lewandowski, Włodzimierz
- Abstract
Spectroscopic studies (FT-IR, Raman, 1H, and 13C NMR, UV-VIS) of caffeic acid (CFA) and its conjugates, i.e., caftaric acid (CTA), cichoric acid (CA), and cynarin (CY), were carried out. The antioxidant activity of these compounds was determined by a superoxide dismutase (SOD) activity assay and the hydroxyl radical (HO•) inhibition assay. The cytotoxicity of these compounds was performed on DLD-1 cell lines. The molecules were theoretically modeled using the B3LYP-6-311++G(d,p) method. Aromaticity indexes (HOMA, I6, BAC, Aj), HOMO and LUMO orbital energies and reactivity descriptors, NBO electron charge distribution, EPS electrostatic potential maps, and theoretical IR and NMR spectra were calculated for the optimized model systems. The structural features of these compounds were discussed in terms of their biological activities.
- Subjects
CAFFEIC acid; ELECTRON distribution; ELECTRIC potential; HYDROXYL group; SUPEROXIDE dismutase; CYTOTOXINS
- Publication
Materials (1996-1944), 2024, Vol 17, Issue 11, p2575
- ISSN
1996-1944
- Publication type
Article
- DOI
10.3390/ma17112575