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Chemical Structure of Catechin Under Different pH
Corresponding Author(s) : Zhimin Zhao
Asian Journal of Chemistry,
Vol. 27 No. 1 (2015): Vol 27 Issue 1
Abstract
Based on TZP level, this work uses density functional theory B3LYP to calculate chemical structure of catechin under neutral, acid and alkaline condition. The result shows the difference at the angle between two planes of the two benzene rings, the angle of C-O-C on the middle ring and bond length of two benzene rings under neutral, acidic and alkaline condition. At the same time, infrared spectra are obtained by stable chemical structures in order to prove the validity of chemical structures by comparing with given infrared spectrum.
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- R.A. Larson and S. Ahmed, Oxidative Stress and Antioxidant Defences in Biology, Chapman and Hall, New York, p. 210 (1995).
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- M. Kashima, Chem. Pharm. Bull. (Tokyo), 47, 279 (1999); doi:10.1248/cpb.47.279.
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- S. Guyot, V. Cheynier, J.M. Souquet and M. Moutounet, J. Agric. Food Chem., 43, 2458 (1995); doi:10.1021/jf00057a027.
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- J.E. Wood, S.T. Senthilmohan and A.V. Peskin, Food Chem., 77, 155 (2002); doi:10.1016/S0308-8146(01)00329-6.
- C. Cren-Olive, P. Hapiot, J. Pinson and C. Rolando, J. Am. Chem. Soc., 124, 14027 (2002); doi:10.1021/ja0262434.
- S.M. Golabi and D. Nematollahi, J. Electroanal. Chem., 420, 127 (1997); doi:10.1016/S0022-0728(96)04804-8.
- Y.C. Xu, Hebei Normal University, Hebei, China (2010).
- M.M. Ramos-Tejada, J.D.G. Duran, A. Ontiveros-Ortega, M. Espinosa-Jimenez, R. Perea-Carpio and E. Chibowski, Colloids Surf. B, 24, 297 (2002); doi:10.1016/S0927-7765(01)00284-3.
References
R.A. Larson and S. Ahmed, Oxidative Stress and Antioxidant Defences in Biology, Chapman and Hall, New York, p. 210 (1995).
W. Bors, W. Heller, C. Michel and K. Stettmaier, in eds.: E. Cadenas and L. Packer, Handbook of Antioxidants, Mercel Dekker, pp. 409 (1996).
Z.Y. Chen, L.Y. Wang, P.T. Chan, Z. Zhang, H.Y. Chung and C. Liang, J. Am. Oil Chem. Soc., 75, 1141 (1998); doi:10.1007/s11746-998-0126-4.
X. Chen and D.U. Ahn, J. Am. Oil Chem. Soc., 75, 1717 (1998); doi:10.1007/s11746-998-0322-2.
M. Kashima, Chem. Pharm. Bull. (Tokyo), 47, 279 (1999); doi:10.1248/cpb.47.279.
S.V. Jovanovic, S. Steenken, M. Tosic, B. Marjanovic and M.G. Simic, J. Am. Chem. Soc., 116, 4846 (1994); doi:10.1021/ja00090a032.
M. Friedman and H.S. Jürgens, J. Agric. Food Chem., 48, 2101 (2000); doi:10.1021/jf990489j.
S. Guyot, J. Vercauteren and V. Cheynier, Phytochemistry, 42, 1279 (1996); doi:10.1016/0031-9422(96)00127-6.
S. Guyot, V. Cheynier, J.M. Souquet and M. Moutounet, J. Agric. Food Chem., 43, 2458 (1995); doi:10.1021/jf00057a027.
M. Jiménez-Atiénzar, J. Cabanes, F. Gandía-Herrero and F. García-Carmona, Biochem. Biophys. Res. Commun., 319, 902 (2004); doi:10.1016/j.bbrc.2004.05.077.
K. Lemanska, H. Szymusiak, B. Tyrakowska, R. Zielinski, A.E.M.F. Soffers and I.M.C.M. Rietjens, Free Radic. Biol. Med., 31, 869 (2001); doi:10.1016/S0891-5849(01)00638-4.
B. Tyrakowska, A.E.M.F. Soffers, H. Szymusiak, S. Boeren, M.G. Boersma, K. Lemanska, J. Vervoort and I.M.C.M. Rietjens, Free Radic. Biol. Med., 27, 1427 (1999); doi:10.1016/S0891-5849(99)00192-6.
J.E. Wood, S.T. Senthilmohan and A.V. Peskin, Food Chem., 77, 155 (2002); doi:10.1016/S0308-8146(01)00329-6.
C. Cren-Olive, P. Hapiot, J. Pinson and C. Rolando, J. Am. Chem. Soc., 124, 14027 (2002); doi:10.1021/ja0262434.
S.M. Golabi and D. Nematollahi, J. Electroanal. Chem., 420, 127 (1997); doi:10.1016/S0022-0728(96)04804-8.
Y.C. Xu, Hebei Normal University, Hebei, China (2010).
M.M. Ramos-Tejada, J.D.G. Duran, A. Ontiveros-Ortega, M. Espinosa-Jimenez, R. Perea-Carpio and E. Chibowski, Colloids Surf. B, 24, 297 (2002); doi:10.1016/S0927-7765(01)00284-3.