The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Antioxidant Properties of Phenolic Compounds: H-Atom versus Electron Transfer Mechanism
Abstract
Density functional theory (DFT) calculations were performed to evaluate the antioxidant activity of molecules commonly present in many Mediterranean foods. A series of interesting systems, including tyrosol, hydroxytyrosol, gallic, and caffeic acids, belonging to the family of phenols, resveratrol of the stilbenes family, epicatechin, kaempferol, and cianidin as examples of flavonoids and, at last, a simplified model of α-tocopherol (6-hydroxy-2,2,5,7,8-pentamethylchroman (HPMC)) were studied. Conformational behavior was examined at the B3LYP/6-311++G(3df,2p) level of theory, in the gas phase and in two solvents with different polarity (water and benzene), with the aim to compute the bond dissociation enthalpy (BDE) for the O−H bonds and the adiabatic ionization potentials (IP). BDE and IP for these systems do not follow the same trends in gas and solution phases: the major differences with respect to vacuum are found as when water computations are performed. On the basis of the computed BDE and IP values, the most active systems able to transfer an H-atom seem to be α-tocopherol followed by hydroxytyrosol, gallic acid, caffeic acid, and epicatechin. Instead, kaempferol and resveratrol appear to be the best candidates for an electron-transfer mechanism.
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Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
Krishnan, R., Binkley, J. S., Seeger, R., & Pople, J. A. (1980) · The Journal of Chemical Physics · doi:10.1063/1.438955 · Cited by 17,772
Structure-antioxidant activity relationships of flavonoids and phenolic acids
Rice-Evans, C. A., Miller, N. J., & Paganga, G. (1996) · Free Radical Biology and Medicine · doi:10.1016/0891-5849(95)02227-9 · Cited by 9,085
Cancer chemopreventive activity of resveratrol, a natural product derived from grapes
Jang, M., Cai, L., Udeani, G. O., Slowing, K. V., Thomas, C. F., Beecher, C. W. W., Fong, H. H. S., Farnsworth, N. R., Kinghorn, A. D., Mehta, R. G., et al. (1997) · Science · doi:10.1126/science.275.5297.218 · Cited by 4,935
Morris, M. C. (2002) · JAMA · doi:10.1001/jama.287.24.3230 · Cited by 678
Cited by
Plant Polyphenols: Chemical Properties, Biological Activities, and Synthesis
Quideau, S., Deffieux, D., Douat‐Casassus, C., & Pouységu, L. (2011) · Angewandte Chemie International Edition · doi:10.1002/anie.201000044 · Cited by 2,730
Antioxidant Compounds and Their Antioxidant Mechanism
Francenia Santos-Sánchez, N., Salas-Coronado, R., Villanueva-Cañongo, C., & Hernández-Carlos, B. (2019) · Antioxidants · doi:10.5772/intechopen.85270 · Cited by 594
Vo Dinh, T., Saravana, P. S., Woo, H. C., & Chun, B. S. (2018) · Separation and Purification Technology · doi:10.1016/j.seppur.2017.06.009 · Cited by 120
De Camargo, A. C., Schwember, A. R., Parada, R., Garcia, S., Maróstica Júnior, M. R., Franchin, M., Regitano-d’Arce, M. A. B., & Shahidi, F. (2018) · International Journal of Molecular Sciences · doi:10.3390/ijms19113498 · Cited by 75
Antioxidant activity of commercial food grade tannins exemplified in a wine model
Ricci, A., Olejar, K. J., Parpinello, G. P., Mattioli, A. U., Teslić, N., Kilmartin, P. A., & Versari, A. (2016) · Food Additives & Contaminants: Part A · doi:10.1080/19440049.2016.1241901 · Cited by 39
Metadata
- Authors
- Leopoldini, M., Marino, T., Russo, N., & Toscano, M.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2004-05-07
- Volume
- 108
- Issue
- 22
- Pages
- 4916-4922
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2088056449
- Cited by
- 701
- References
- 6
- FWCI
- 5.93
- Type
- journal article
- Language
- en
- Open access
- closed
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