Theoretical study on the structure and properties of crenulatin molecule in herb Rhodiola crenulata

Journal of Molecular Structure: THEOCHEM

Volumn 847, Issue 1-3, 2007, Pages 59-67

  Su, Xin Fang ^a   Zhang, Hong ^a   Shao, Ju Xiang ^a   Wu, Hai Ying ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

Antioxidants; Crenulatin; Density functional theory; Electronic properties; Infrared (IR) spectrum; Ionization potential; Molecular structure; NMR; O H bond dissociation enthalpy; Rhodiola crenulata (Hook. F. et Thoms.)

Indexed keywords

EID: 36048950757     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.08.034     Document Type: Article

References (62)

1. Lee J., Koo N., and Min D.B. Compr. Rev. Food Sci. Safe. 3 (2004) 21
2. Duthie G.G. Eur. J. Clin. Nutr. 47 (1993) 759
3. Zheng W.S., and Wang Y.J. Agric. Food. Chem. 49 (2001) 5165
4. Sun B.X., and Fukuhara M. Toxicology 122 (1997) 61
5. Pokorny J. Trends Food Sci. Technol. 2 (1991) 223
6. Garrote G., Cruz J.M., Moure A., Dominguez H., and Parajo J.C. Trends Food Sci. Technol. 15 (2004) 191
7. Rechner A.R., Kuhnle G., Bremner P., Hubbard G.P., Moore K.P., and Rice-Evans C.A. Free Radic. Biol. Med. 33 (2002) 220
8. Zhang H.Y., Yang D.P., and Tang G.Y. Drug Disc. Today 11 (2006) 749 and references therein
9. Ip S.P., Che C.T., and Leung P.S. J. Pancreas 2 (2001) 16
10. Yoshikawa M., Shimada H., Shimada H., Murakami N., Yamahara J., and Matsuda H. Chem. Pharm. Bull. 44 (1996) 2086
11. Darbinyan V., Kteyan A., and Panossian A. Phytomedicine 7 (2000) 365
12. Seo W.G., Pae H.O., and Oh G.S. J. Ethnopharmacol. 76 (2001) 119
13. Pae H.O., Seo W.G., and Oh G.S. Immunop. Harmacol. Immunotox. Icol. 23 (2001) 25
14. Xu K.J., Zhang S.F., and Lu G.Z. Med. J. NDFNC 20 (1999) 172
15. Hao L.M., Jiang W.H., and Meng X.T. Chin. J. Gerontol. 20 (2000) 230
16. Li Y., Cui L., and Pan L. Chin. J. Gerontol. 21 (2001) 55
17. Guan G.M., Wang Y.P., and Dong Z. Chin. J. Otorhinolaryngol. 34 (1999) 227
18. Ma Y., Zhang X.Z., and Chen X.S. Chin. Ment. Health. J. 15 (2001) 117
19. Chi A.Q., Zhang X.S., and Lu X.M. Chin. Tradit. Herb. Drugs 31 (2000) 442
20. Zhang Z.H., Liu J.X., and Shang X.H. China J. Chin. Mater. Med. 23 (1998) 104
21. Li Y.X., Piao H., and Li H.H. J. Med. Sci. Yanbian Univ. 21 (1998) 96
22. Kurkin V.A. J. Pharm. Chem. 20 (1986) 1231
23. Khoruzhaya T.G., and Krasnov E.A. Khim. Prir. Soedin. 5 (1972) 557
24. Saratikov A.S. Pharmazie 69 (1968) 394
25. You D.Q., F Zou L., Gao F., Ding X.G., Yang P., Han L., Chen Q., and Cai J.M. Acad. J. Sec. Mil. Med. Univ. 24 (2003) 1187
26. Wang S., and Wang F.P. Acta Pharmacol. Sin. 27 (1992) 117
27. Peng J.N., Ma C.Y., and Ge Y.C. Chin. Tradit. Herb. Drugs 26 (1995) 177
28. Du M., and Xie J.M. Acta Chim. Sin. 52 (1994) 927
29. Lei Y.D., Nan P., Tsering T., Bai Z., Tian C., and Zhong Y. Z. Naturforsch. C 58 (2003) 161
30. Rice-Evans C.A., Miller N.J., and Paganga G. Free Radic. Biol. Med. 20 (1996) 933 and references therein
31. Kandaswami C., and Middleton E. Adv. Exp. Med. Biol. 366 (1994) 351
32. Zhang H.Y., Wang L.F., and Sun Y.M. Bioorg. Med. Chem. Lett. 13 (2003) 909
33. Martins H.F.P., Leal J.P., Fernandez M.T., Lopes V.H.C., and Cordeiro M.N.D.S. J. Am. Soc. Mass. Spectrom. 15 (2004) 848
34. Leopoldini M., Marino T., Russo N., and Toscano M. J. Phys. Chem. A 108 (2004) 4916 and refs therein
35. Wright J.S., Johnson E.R., and Di Labio G.A. J. Am. Chem. Soc. 123 (2001) 1173
36. Zhang H.Y., Sung Y.M., and Wang X.L. Chem. Eur. J. 9 (2003) 502
37. Zhang H.Y., and Ji H.F. New J. Chem. 30 (2006) 503
38. German J.B. In: Rice-Evans C., and Packer L. (Eds). Nutritional Studies of Flavonoids in Wine, Flavonoids in Health and Disease (1998), Marcel Dekker, New York 343
39. Kinsella J.E., Frankel E., German B., and Kanner J. Food Technol. (1993) 85
40. Harborne J.B. The Flavonoids: Advances in research since 1980 (1988), Chapman and Hall, London, UK
41. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, GAUSSIAN 98, Revision A.9, Gaussian, Inc., Pittsburgh, PA, 1998.
42. Becke A.D. J. Chem. Phys. 98 (1993) 5648
43. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
44. Charles W., and Bauschlicher Jr. Chem. Phys. Lett. 246 (1995) 40
45. Scott A.P., and Radom L. J. Phys. Chem. 100 (1996) 16502
46. Nam P.C., Nguyen M.T., and Chandra A.K. J. Phys. Chem. A 109 (2005) 10342
47. DiLabio G.A., Pratt D.A., LoFaro A.D., and Wright J.S. J. Phys. Chem. A 103 (1999) 1653
48. Onsager L. J. Am. Chem. Soc. 58 (1936) 1486
49. van Acker S.A.B.E., Bast A., and van der Vijgh W.J.F. In: Rice-Evans C.A., and Packer L. (Eds). The Structural Aspects in Relation to Antioxidant Activity of Flavonoids, Antioxidant in Health and Disease (1998), Marcel Dekker, New York 221-251
50. Rice-Evans C.A., Miller N.J., and Paganga G. Free Rad. Med. 20 (1996) 933
51. Zhang H.Y. J. Am. Oil Chem. Soc. 76 (1999) 745
52. van Acker S.A.B.E., de Groot M.J., van den Berg D.J., Tromp M.N.J.L., den Kelder G.D.O., van der Vijgh W.J.F., and Bast A. Chem. Res. Toxicol. 9 (1996) 1305
53. Cheeseman J.R., Trucks G.W., and Keith T.A. J. Chem. Phys. 104 (1996) 5497
54. Jameson A.K., and Jameson C.J. Chem. Phys. Lett. 134 (1987) 461
55. Gotoh N., Noguchi N., Tsuchiya J., Morita K., Sakai H., Shimasaki H., and Niki E. Free Radical Res. 24 (1996) 123
56. Noguchi N., Okimoto Y., Tsuchiya J., Cynshi O., Kodama T., and Niki E. Arch. Biochem. Biophys. 347 (1997) 141
57. Politzer P., and Abu-Awwad F. Theor. Chem. Acta 99 (1998) 83
58. Allen M.J., and Tozer D. J. Mol. Phys. 100 (2002) 433
59. Tozer D.J. J. Chem. Phys. 119 (2003) 12697
60. Tozer D.J., and Proft F.D. J. Phys. Chem. A 109 (2005) 8923
61. Zhan C.G., Nichols J.A., and Dixon D.A. J. Phys. Chem. A 107 (2003) 4184
62. Wong M.W. Chem. Phys. Lett. 256 (1996) 391