Effect of the Methyl Group on the Stability and Twisting of Flavonoids
Referências
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3. RICE-EVANS, C.A.; MILLER, N.J.; BOLWELL, G.P.; BRAMLEY, P.M.; PRIDHAM, J.B. The relative antioxidant activities of plant derived polyphenolic flavonoids. Free Radical Res. 22, 375 (1995).
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6. Acker, S.A.B.E.V.; Berg, D.J.V.B.; Tromp, M.N.J.L.; Griffioen, Bennekom, W.P.V.; Vijgh, W.J.F.V.D.; Bast, A. Structural aspects of antioxidant activity of flavonoids. Free Radical Biol. Med. 20, 331(1996).
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10. Antonczak, S. Electronic description of four flavonoids revisited by DFT method. J. Mol. Struc. Theochem. 856, 38(2008).
11. Lameira, J.; Alves, C.N.; Moliner, V.; Silla, E. A density functional study of flavonoid compounds with anti-HIV activity. Eur. J. Med. Chem. 41, 616(2006).
12. Leopoldini, M.; Marino, T.; Russo, N.; Toscano, M. Density functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent. Theor. Chem. Acc. 111, 210(2004).
13. Mendoza, A.M.; Glossman, D. CHIH-DFT determination of the molecular structure; infrared and ultraviolet spectra of the flavonoid querdetin. J. Mol. Struc.-Theochem., 681, 71 (2004).
14. Olejniczak, S.; Potrzebowski, M.J. Solid state NMR studies and density functional theory (DFT) calculations of conformers of quercetin. Org. Biomol. Chem., 2, 2315(2004).
15. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Montgomery, J.A., Jr.; Vreven, T.; Kudin, K.N.; et al. Gaussian 03 (Revision C.02); Gaussian Inc.: Wallingford, CT, USA, (2004).
16. Becke, A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A, 38, 3098(1988).
17. Lee, C.; Yang, W.; Parr, R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B, 37, 785(1988).
18. Becke, A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys., 98, 5648(1993).
19. Besler, B.H.; Merz, K.M.; Kollman, P.A. Atomic charges derived from semiempirical methods. J.Comput. Chem., 11, 431–439 (1990).
20. Aparicio, S.; A Systematic Computational Study on Flavonoids. Int. J. Mol. Sci., 11, 2017(2010).
21. Rodrigues, J.A.R.; Ligações Hidrogênio fortes em ácidos dicarboxílicos e diaminas aromáticas. Quím. Nova 23, 812, (2000).
2. PATHAK, D.; PATHAK, K.; SINGLA, A.K. Flavonoids as medicinal agents: recent advances. Fitoterapia, 57, 371(1991).
3. RICE-EVANS, C.A.; MILLER, N.J.; BOLWELL, G.P.; BRAMLEY, P.M.; PRIDHAM, J.B. The relative antioxidant activities of plant derived polyphenolic flavonoids. Free Radical Res. 22, 375 (1995).
4. TREASE, G.E.; EVANS, W.C. Phenols and phenolic glycosides. In: Pharmacognosy 14.ed. London: W.B. Saunders, 218 (1996)
5. YAO, L.H.; JIANG, Y.M.; SHI, J.; TOMÁS-BARBERÁN, F.A.; DATTA, N.; SINGANUSONG, R.; CHEN, S.S. Flavonoids in food and their health benefits. Plant Foods Hum. Nutr. 59, 113(2004)
6. Acker, S.A.B.E.V.; Berg, D.J.V.B.; Tromp, M.N.J.L.; Griffioen, Bennekom, W.P.V.; Vijgh, W.J.F.V.D.; Bast, A. Structural aspects of antioxidant activity of flavonoids. Free Radical Biol. Med. 20, 331(1996).
7. Cramer, C. J.; Essentials of Computational Chemistry: Theories and Models, 2a ed., Wiley: Chichester, (2004).
8. van Acker, S.A.B.; de Groot, M.J.; van der Berg, D.J.; Tromp, M.N.; Donne, G.; Wim, F.J.; van der Vijgh, W.J.F.; Bast, A. A quantum chemical explanation of the antioxidant activity of flavonoids. Chem. Res. Toxicol. 9, 1305(1996).
9. van Acker, S.A.B.; de Groot, M.J.; van der Berg, D.J.; Tromp, M.N.; Griffen, D.H.; van Bennekom, W.P.; van der Vijgh, W.J.F.; Bast, A. Structural aspects of antioxidant activity of flavonoids. Free Radical Biol. Med. 20, 331(1996).
10. Antonczak, S. Electronic description of four flavonoids revisited by DFT method. J. Mol. Struc. Theochem. 856, 38(2008).
11. Lameira, J.; Alves, C.N.; Moliner, V.; Silla, E. A density functional study of flavonoid compounds with anti-HIV activity. Eur. J. Med. Chem. 41, 616(2006).
12. Leopoldini, M.; Marino, T.; Russo, N.; Toscano, M. Density functional computations of the energetic and spectroscopic parameters of quercetin and its radicals in the gas phase and in solvent. Theor. Chem. Acc. 111, 210(2004).
13. Mendoza, A.M.; Glossman, D. CHIH-DFT determination of the molecular structure; infrared and ultraviolet spectra of the flavonoid querdetin. J. Mol. Struc.-Theochem., 681, 71 (2004).
14. Olejniczak, S.; Potrzebowski, M.J. Solid state NMR studies and density functional theory (DFT) calculations of conformers of quercetin. Org. Biomol. Chem., 2, 2315(2004).
15. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Montgomery, J.A., Jr.; Vreven, T.; Kudin, K.N.; et al. Gaussian 03 (Revision C.02); Gaussian Inc.: Wallingford, CT, USA, (2004).
16. Becke, A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A, 38, 3098(1988).
17. Lee, C.; Yang, W.; Parr, R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B, 37, 785(1988).
18. Becke, A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys., 98, 5648(1993).
19. Besler, B.H.; Merz, K.M.; Kollman, P.A. Atomic charges derived from semiempirical methods. J.Comput. Chem., 11, 431–439 (1990).
20. Aparicio, S.; A Systematic Computational Study on Flavonoids. Int. J. Mol. Sci., 11, 2017(2010).
21. Rodrigues, J.A.R.; Ligações Hidrogênio fortes em ácidos dicarboxílicos e diaminas aromáticas. Quím. Nova 23, 812, (2000).
Publicado
2015-07-01
Como Citar
Oliveira, M. A. R. de, Bicalho, K. U., & Fernandes, J. B. (2015). Effect of the Methyl Group on the Stability and Twisting of Flavonoids. Revista Processos Químicos, 9(18), 173-176. https://doi.org/10.19142/rpq.v9i18.291
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