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Volumn 5072 LNCS, Issue PART 1, 2008, Pages 1141-1155

Theoretical study of the structural and electronic properties of luteolin and apigenin dyes

Author keywords

Apigenin; DFT; Electronic structure; Flavones; Flavonoids; Luteolin; MP2

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY;

EID: 54349114917     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-540-69839-5_87     Document Type: Conference Paper
Times cited : (4)

References (51)
  • 3
    • 35949004332 scopus 로고    scopus 로고
    • Acidichromism and ionochromism of luteolin and apigenin, the main components of the naturally occurring yellow weld: A spectrophotometric and fluorimetric study
    • Favaro, G., dementi, C., Romani, A., Vickackaite, V.: Acidichromism and ionochromism of luteolin and apigenin, the main components of the naturally occurring yellow weld: A spectrophotometric and fluorimetric study. Journal of Fluorescence 17, 707-714 (2007)
    • (2007) Journal of Fluorescence , vol.17 , pp. 707-714
    • Favaro, G.1    dementi, C.2    Romani, A.3    Vickackaite, V.4
  • 5
    • 0034846868 scopus 로고    scopus 로고
    • Antioxidant and antiradical activities of flavonoids
    • Burda, S., Oleszek, W.: Antioxidant and antiradical activities of flavonoids. Journal of Agricultural and Food Chemistry 49(6), 2774-2779 (2001)
    • (2001) Journal of Agricultural and Food Chemistry , vol.49 , Issue.6 , pp. 2774-2779
    • Burda, S.1    Oleszek, W.2
  • 7
    • 35848940482 scopus 로고    scopus 로고
    • Apigenin regulates hyperglecemia, thyroid dysfunction and lipid peroxidation in alloxan-induced diabetic mice
    • Panda, S., Kar, A.: Apigenin regulates hyperglecemia, thyroid dysfunction and lipid peroxidation in alloxan-induced diabetic mice. Journal of Pharmacy and Pharmacology 59(11), 1543-1548 (2007)
    • (2007) Journal of Pharmacy and Pharmacology , vol.59 , Issue.11 , pp. 1543-1548
    • Panda, S.1    Kar, A.2
  • 8
    • 42149125020 scopus 로고    scopus 로고
    • Simulation of collagen biosynthesis by flavonoid glycosides in skin fibroblasts of osteogenesis imperfecta, type i abd the potential mechanism of their action
    • Galicka, A., Nazaruk, J.: Simulation of collagen biosynthesis by flavonoid glycosides in skin fibroblasts of osteogenesis imperfecta, type i abd the potential mechanism of their action. International Journal of Molecular Medicine 20(6), 889-895 (2007)
    • (2007) International Journal of Molecular Medicine , vol.20 , Issue.6 , pp. 889-895
    • Galicka, A.1    Nazaruk, J.2
  • 9
    • 1642502300 scopus 로고    scopus 로고
    • Structure, conformation, and electronic properties of apigenin, luteolin, and taxifolin antioxidants
    • Leopoldini, M., Pitarch, I., Russo, N., Toscano, M.: Structure, conformation, and electronic properties of apigenin, luteolin, and taxifolin antioxidants. Journal of Physical Chemistry A 108(1), 92-96 (2004)
    • (2004) Journal of Physical Chemistry A , vol.108 , Issue.1 , pp. 92-96
    • Leopoldini, M.1    Pitarch, I.2    Russo, N.3    Toscano, M.4
  • 10
    • 54349095990 scopus 로고    scopus 로고
    • Frisch, M.J, Trucks, G.W, Schlegel, H.B, Scuseria, G.E, Robb, M.A, Cheeseman, J.R, Montgomery Jr, J.A, Vreven, T, Kudin, K.N, Burant, J.C, Millam, J.M, Iyengar, S.S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G.A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J.E, Hratchian, H.P, Cross, J.B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R.E, Yazyev, O, Austin, A.J, Cammi, R, Pomelli, C, Ochterski, J.W, Ayala, P.Y, Morokuma, K, Voth, G.A, Salvador, P, Dannenberg, J.J, Zakrzewski, V.G, Dapprich, S, Daniels, A.D, Strain, M.C, Farkas, O, Malick, D.K, Rabuck, A.D, R aghavachari, K, Foresman, J.B, Ortiz, J.V, Cui, Q, Baboul, A.G, Clifford, S, Cioslowski, J, Stefanov, B.B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R.L, Fox, D.J, Keith, T, Al-Laham, M.A, Peng, C.Y
    • Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery Jr., J.A., Vreven, T., Kudin, K.N., Burant, J.C., Millam, J.M., Iyengar, S.S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G.A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J.E., Hratchian, H.P., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Ayala, P.Y., Morokuma, K., Voth, G.A., Salvador, P., Dannenberg, J.J., Zakrzewski, V.G., Dapprich, S., Daniels, A.D., Strain, M.C., Farkas, O., Malick, D.K., Rabuck, A.D., R aghavachari, K., Foresman, J.B., Ortiz, J.V., Cui, Q., Baboul, A.G., Clifford, S., Cioslowski, J., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Gonzalez, C., Pople, J.A.: Gaussian 03, Revision C.02 Gaussian, Inc., Wallingford, CT (2004)
  • 11
    • 6944251055 scopus 로고
    • Note on an approximation treatment for many-electron systems
    • Møller, C., Plesset, M.S.: Note on an approximation treatment for many-electron systems. Phys. Rev. 46(7), 618-622 (1934)
    • (1934) Phys. Rev , vol.46 , Issue.7 , pp. 618-622
    • Møller, C.1    Plesset, M.S.2
  • 14
    • 0003442182 scopus 로고
    • Labanowski, J.K, Andzelm, J.W, eds, Springer, New York
    • Labanowski, J.K., Andzelm, J.W. (eds.): Density functional methods in chemistry. Springer, New York (1991)
    • (1991) Density functional methods in chemistry
  • 15
    • 54349088858 scopus 로고    scopus 로고
    • Becke, A.D.: J. Ghem. Phys. 98 (5648) (1993)
    • Becke, A.D.: J. Ghem. Phys. 98 (5648) (1993)
  • 26
    • 0031549619 scopus 로고    scopus 로고
    • Single-bond torsional potentials in conjugated systems: A comparison of ab initio and density functional results
    • Karpfen, A., Choi, C., Kertesz, M.: Single-bond torsional potentials in conjugated systems: A comparison of ab initio and density functional results. Journal of Physical Chemistry A 101(40), 7426-7433 (1997)
    • (1997) Journal of Physical Chemistry A , vol.101 , Issue.40 , pp. 7426-7433
    • Karpfen, A.1    Choi, C.2    Kertesz, M.3
  • 27
    • 0036041881 scopus 로고    scopus 로고
    • Theoretical study of the structure and torsional potential of substituted biphenylenes and their fiuorene derivatives theoretical study of the structure and torsional potential of substituted biphenylenes and their fiuorene derivatives theoretical study of the structure and torsional potential of substituted biphenylenes and their fiuorene derivatives
    • Pan, J.F., Hou, X.Y., Chua, S. J., Huang, W.: Theoretical study of the structure and torsional potential of substituted biphenylenes and their fiuorene derivatives theoretical study of the structure and torsional potential of substituted biphenylenes and their fiuorene derivatives theoretical study of the structure and torsional potential of substituted biphenylenes and their fiuorene derivatives. Phys. Chem. Chem. Phys. 4, 3959-3964 (2002)
    • (2002) Phys. Chem. Chem. Phys , vol.4 , pp. 3959-3964
    • Pan, J.F.1    Hou, X.Y.2    Chua, S.J.3    Huang, W.4
  • 28
    • 0000662459 scopus 로고
    • Ab initio and density functional studies on internal rotation and corresponding transition states in conjugated molecules
    • Oie, T., Topol, I.A., Burt, S.K.: Ab initio and density functional studies on internal rotation and corresponding transition states in conjugated molecules. Journal of Physical Chemistry 99(3), 905-915 (1995)
    • (1995) Journal of Physical Chemistry , vol.99 , Issue.3 , pp. 905-915
    • Oie, T.1    Topol, I.A.2    Burt, S.K.3
  • 30
    • 0037069813 scopus 로고    scopus 로고
    • Problematic energy differences between cumulenes and poly-ynes: Does this point to a, systematic improvement of density functional theory?
    • Woodcock, H., Schaefer, H., Schreiner, P.: Problematic energy differences between cumulenes and poly-ynes: Does this point to a, systematic improvement of density functional theory? Journal of Physical Chemistry A 106(49), 11923-11931 (2002)
    • (2002) Journal of Physical Chemistry A , vol.106 , Issue.49 , pp. 11923-11931
    • Woodcock, H.1    Schaefer, H.2    Schreiner, P.3
  • 31
    • 34547555030 scopus 로고    scopus 로고
    • Assessing a new nonempirical density functional: Difficulties in treating pi-conjugation effects
    • Sancho-Garcia, J.C.: Assessing a new nonempirical density functional: Difficulties in treating pi-conjugation effects. The Journal of Chemical Physics 124(12), 124112 (2006)
    • (2006) The Journal of Chemical Physics , vol.124 , Issue.12 , pp. 124112
    • Sancho-Garcia, J.C.1
  • 32
    • 0034269273 scopus 로고    scopus 로고
    • Comparison of the accurate kohn-sham solution with the generalized gradient approximations (ggas) for the sn2 reaction: A qualitative rule to predict success or failure of ggas
    • Gritsenko, O., Ensing, B., Schipper, P., Baerends, E.: Comparison of the accurate kohn-sham solution with the generalized gradient approximations (ggas) for the sn2 reaction: A qualitative rule to predict success or failure of ggas. Journal of Physical Chemistry A 104(37), 8558-8565 (2000)
    • (2000) Journal of Physical Chemistry A , vol.104 , Issue.37 , pp. 8558-8565
    • Gritsenko, O.1    Ensing, B.2    Schipper, P.3    Baerends, E.4
  • 33
    • 34547854225 scopus 로고    scopus 로고
    • Towards a photophysical model for 5-hydroxyflavone
    • del Valle, J.C.: Towards a photophysical model for 5-hydroxyflavone. The Journal of Chemical Physics 124(10), 104506 (2006)
    • (2006) The Journal of Chemical Physics , vol.124 , Issue.10 , pp. 104506
    • del Valle, J.C.1
  • 35
    • 0038408767 scopus 로고    scopus 로고
    • Comparison of the chelating power of hydroxyfiavones
    • Cornard, J.P., Merlin, J.C.: Comparison of the chelating power of hydroxyfiavones. Journal of Molecular Structure 651-653, 381-387 (2003)
    • (2003) Journal of Molecular Structure , vol.651-653 , pp. 381-387
    • Cornard, J.P.1    Merlin, J.C.2
  • 37
    • 0037114764 scopus 로고    scopus 로고
    • Complexes of aluminium(iii) with isoquercitrin: Spectroscopic characterization and quantum chemical calculations
    • Cornard, J., Merlin, J.C.: Complexes of aluminium(iii) with isoquercitrin: spectroscopic characterization and quantum chemical calculations. Polyhedron 21(27-28), 2801-2810 (2002)
    • (2002) Polyhedron , vol.21 , Issue.27-28 , pp. 2801-2810
    • Cornard, J.1    Merlin, J.C.2
  • 38
    • 0033860031 scopus 로고    scopus 로고
    • Semiempirical molecular modeling into quercetin reactive site: Structural, conformational, and electronic features
    • Russo, N., Toscano, M., Uccella, N.: Semiempirical molecular modeling into quercetin reactive site: Structural, conformational, and electronic features. Journal of Agricultural and Food Chemistry 48(8), 3232-3237 (2000)
    • (2000) Journal of Agricultural and Food Chemistry , vol.48 , Issue.8 , pp. 3232-3237
    • Russo, N.1    Toscano, M.2    Uccella, N.3
  • 39
    • 0037201690 scopus 로고    scopus 로고
    • Spectroscopic and structural study of complexes of quercetin with al(iii)
    • Cornard, J.P., Merlin, J.C.: Spectroscopic and structural study of complexes of quercetin with al(iii). Journal of inorganic Biochemistry 92(1), 19-27 (2002)
    • (2002) Journal of inorganic Biochemistry , vol.92 , Issue.1 , pp. 19-27
    • Cornard, J.P.1    Merlin, J.C.2
  • 40
    • 0035913305 scopus 로고    scopus 로고
    • Structural and spectroscopic investigation of 5-hydroxyflavone and its complex with aluminium
    • Cornard, J.P., Merlin, J.C.: Structural and spectroscopic investigation of 5-hydroxyflavone and its complex with aluminium. Journal of Molecular Structure 569(1-3), 129-138 (2001)
    • (2001) Journal of Molecular Structure , vol.569 , Issue.1-3 , pp. 129-138
    • Cornard, J.P.1    Merlin, J.C.2
  • 41
    • 28244501048 scopus 로고    scopus 로고
    • Computational and spectroscopic characterization of the molecular and electronic structure of the pb(ii)-quercetin complex
    • Cornard, J., Dangleterre, L., Lapouge, C.: Computational and spectroscopic characterization of the molecular and electronic structure of the pb(ii)-quercetin complex. Journal of Physical Chemistry A 109(44), 10044-10051 (2005)
    • (2005) Journal of Physical Chemistry A , vol.109 , Issue.44 , pp. 10044-10051
    • Cornard, J.1    Dangleterre, L.2    Lapouge, C.3
  • 42
    • 20444406842 scopus 로고    scopus 로고
    • Determination of dissociation constants of flavonoids by capillary electrophoresis
    • Herrero-Martinez, J., Sanmartin, M., Rosés, M., Bosch, E., Ràfols, C.: Determination of dissociation constants of flavonoids by capillary electrophoresis. Electrophoresis 26(10), 1886-1895 (2005)
    • (2005) Electrophoresis , vol.26 , Issue.10 , pp. 1886-1895
    • Herrero-Martinez, J.1    Sanmartin, M.2    Rosés, M.3    Bosch, E.4    Ràfols, C.5
  • 43
    • 0033554404 scopus 로고    scopus 로고
    • Theoretical investigation of the molecular structure of the isoquercitrin molecule
    • Cornard, J.P., Boudet, A.C., Merlin, J.C.: Theoretical investigation of the molecular structure of the isoquercitrin molecule. Journal of Molecular Structure 508, 37-49 (1999)
    • (1999) Journal of Molecular Structure , vol.508 , pp. 37-49
    • Cornard, J.P.1    Boudet, A.C.2    Merlin, J.C.3
  • 45
    • 15444375987 scopus 로고    scopus 로고
    • Characterization of flavonoids by aluminum complexation and collisionally activated dissociation
    • Zhang, J., Wang, J., Brodbelt, J.S.: Characterization of flavonoids by aluminum complexation and collisionally activated dissociation. Journal of Mass Spectrometry 40, 350-363 (2005)
    • (2005) Journal of Mass Spectrometry , vol.40 , pp. 350-363
    • Zhang, J.1    Wang, J.2    Brodbelt, J.S.3
  • 48
    • 0030988972 scopus 로고    scopus 로고
    • Ab initio study of the ring expansion of phenylnitrene and comparison with the ring expansion of phenylcarbene
    • Karney, W., Borden, W.: Ab initio study of the ring expansion of phenylnitrene and comparison with the ring expansion of phenylcarbene. Journal of the American Chemical Society 119(6), 1378-1387 (1997)
    • (1997) Journal of the American Chemical Society , vol.119 , Issue.6 , pp. 1378-1387
    • Karney, W.1    Borden, W.2
  • 49
    • 22844433265 scopus 로고
    • Organic polymers based on aromatic rings (polyparaphenylene, polypyrrole, polythiophene): Evolution of the electronic properties as a function of the torsion angle between adjacent rings
    • Bredas, J.L., Street, G.B., Themans, B., Andre, J.M.: Organic polymers based on aromatic rings (polyparaphenylene, polypyrrole, polythiophene): Evolution of the electronic properties as a function of the torsion angle between adjacent rings. The Journal of Chemical Physics 83(3), 1323-1329 (1985)
    • (1985) The Journal of Chemical Physics , vol.83 , Issue.3 , pp. 1323-1329
    • Bredas, J.L.1    Street, G.B.2    Themans, B.3    Andre, J.M.4
  • 50
    • 33748596859 scopus 로고    scopus 로고
    • Theoretical study of the structure and torsional potential of pyrrole oligomers
    • Millefiori, S., Alparone, A.: Theoretical study of the structure and torsional potential of pyrrole oligomers. J. Chem. Soc., Faraday Trans. 94(1), 25-32 (1998)
    • (1998) J. Chem. Soc., Faraday Trans , vol.94 , Issue.1 , pp. 25-32
    • Millefiori, S.1    Alparone, A.2
  • 51
    • 34848895802 scopus 로고    scopus 로고
    • Rotation barrier of the azide group in azidopyridines: Molecular orbital treatment
    • Abu-Eittah, R.H., Khedr, M.K.: Rotation barrier of the azide group in azidopyridines: Molecular orbital treatment. Journal of Molecular Structure: THEOCHEM 822(1-3), 74-79 (2007)
    • (2007) Journal of Molecular Structure: THEOCHEM , vol.822 , Issue.1-3 , pp. 74-79
    • Abu-Eittah, R.H.1    Khedr, M.K.2


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