Structural and electronic features of baicalein and its radicals

Monatshefte fur Chemie

Volumn 142, Issue 2, 2011, Pages 145-152

  Marković, Zoran S ^a   Dimitrić Marković, Jasmina M ^b   Milenković, Dejan ^c   Filipović, Nenad ^c,d  

^a STATE UNIVERSITY OF NOVI PAZAR   (Serbia)

^b UNIVERSITY OF BELGRADE   (Serbia)

^c Bioengineering Research and Development Center   (Serbia)

^d HARVARD SCHOOL OF PUBLIC HEALTH   (United States)

Author keywords

Antioxidant activity; Baicalein; BDE; DFT; HOMO

Indexed keywords

EID: 79951953905     PISSN: 00269247     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00706-010-0426-x     Document Type: Article

References (46)

1. Pryor WA (1976) In: Pryor WA (ed) Free radicals in biology, vol I. Academic, New York
2. Pryor WA (1986) Ann Rev Physiol 48:657
3. Fridovich I (1978) Science 20:875
4. Cody V, Middleton E, Harborne JB (1986) Plant flavonoids in biology and medicine: biochemical pharmacological and structure- activity relationships. Alan R Liss, New York
5. Cody V, Middleton EJR, Harborne JB, Beretz A (1988) Plant flavonoids in biology and medicine II: biochemical cellular and medicinal properties. Alan R Liss, New York
6. Rice-Evans C, Miller N (1996) Biochem Soc Trans 24:790-795
7. Harborne JB, Williams CA (2000) Phytochemistry 55:481
8. Cao G, Sofic E, Prior R (1997) Free Radic Biol Med 22:749
9. Bravo L, Abia R, Eastwood MA, Saura-Calixto F (1994) Br J Nutr 71:933
10. Mayer JM (2004) Annu Rev Phys Chem 55:363
11. Di Labio GA, Johnson ER (2007) J Am Chem Soc 129:6199
12. Di Labio GA, Ingold KU (2005) J Am Chem Soc 127:6693
13. Sjodin M, Styring S, Åkermark B, Sun L, Hammarstrom L (2000) J Am Chem Soc 122:3932
14. Mulder P, Korth HG, Ingold KU (2005) Helv Chim Acta 88:370
15. Wang Q, Wang YT, Pub SP, Zheng YT (2004) Biochem Biophys Res Commun 324:605
16. Li BQ, Fu T, Dongyan Y, Mikovits JA, Ruscetti FW, Wang JM (2000) Biochem Biophys Res Commun 276:534
17. Kitamura K, Honda M, Yoshizaki H, Yamamoto S, Nakane H, Fukushima M, Ono K, Tokunaga T (1998) Antiviral Res 37:131
18. Russo N, Toscano M, Uccella N (2000) J Agric Food Chem 48:3232
19. Marković Z, Dimitrić-Marković J, Doličanin Ć (2009) J Serb Soc Comp Mech 3:43
20. Leopoldini M, Marino T, Russo N, Toscano M (2004) J Phys Chem A 108:4916
21. Leopoldini M, Pitarch IP, Russo N, Toscano M (2004) J Phys Chem A 108:92
22. Trouillas P, Marsal P, Siri D, Lazzaroni R, Duroux JL (2006) Food Chem 97:679
23. Lemaska K, Szymusiak H, Tyrakowska B, Zieliski R, Soffers AEMF, Rietjens IMCM (2001) Free Radic Biol Med 31:869
24. Lucarini M, Pedulli GF, Guerra M (2004) Chem Eur J 10:933
25. Priyadarsini KI, Maity DK, Naik GH, Kumar MS, Unnikrishnan MK, Satav JG (2003) Free Radic Biol Med 35:475
26. Trouillas P, Fagnere C, Lazzaroni R, Calliste CA, Marfak A, Duroux JL (2004) Food Chem 88:571
27. Wright JS, Johnson ER, Di Labio GA (2001) J Am Chem Soc 123:1173
28. Zhang HY, Sun YM, Chen DZ (2001) QSAR 20:148
29. Zhang HY, Sun YM, Wang XL (2003) Chem Eur J 9:502
30. Zhang HY (2004) New J Chem 28:1284
31. Hutter W, Bodenseh HK (1993) J Mol Struct 291:151
32. Rice-Evans CA, Miller NJ, Paganga G (1996) Free Radic Biol Med 20:933
33. Marković Z, Mentus S, Dimitrić-Marković J, Doličanin Ć (2009) J Phys Chem 113:14170
34. Cai YZ, Sun M, Xing J, Luo Q, Corke H (2006) Life Sci 78:2872
35. Szabo A, Ostlund NS (1982) Modern quantum chemistry: introduction to advanced electronic structure theory. Dover, New York
36. Becke AD (1998) Phys Rev A 38:3098
37. Lee C, Yang W, Parr RG (1988) Phys Rev B 37785
38. Peterson GA, Al-Laham MA (1991) J Chem Phys 94:6081
39. Peterson GA, Benett A, Tensfeldt TG, Shirley WA, Mantzaris J (1988) J Chem Phys 89:2193
40. Reed AE, Weinstock RB, Weinhold F (1985) J Chem Phys 83:735
41. Glendening ED, Reed AE, Carpenter JE, Weinhold F (1995) NBO Version 3.1 Program as part of Gaussian, Theoretical Chemistry Institute, University of Wisconsin, Madison
42. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88:899
43. Carpenter JE, Weinhold F (1988) J Mol Struct (Theochem) 169:41
44. Wiberg KB (1968) Tetrahedron 24:1083
45. Glendening ED, Badenhoop JK, Reed AE, Carpenter JE, Bohmann JA, Morales CM, Weinhold F (2001) GenNBO Version 5.0 Program, Theoretical Chemistry Institute, University of Wisconsin, Madison
46. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant J, Millam J, Iyengar S, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson G, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian 03, Revision C.02. Gaussian, Wallingford