메뉴 건너뛰기




Volumn 39, Issue 1, 2010, Pages 11-29

A combined theoretical and experimental approach to the study of the structural and electronic properties of curcumin as a function of the solvent

Author keywords

Absorption electronic spectra; CS INDO CI; Curcumin; Density Functional Theory; Hartree Fock; Molecular quantum mechanics; Solvent effect; TD SCF

Indexed keywords


EID: 84962439546     PISSN: 00959782     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10953-009-9483-3     Document Type: Article
Times cited : (12)

References (26)
  • 1
    • 54249160396 scopus 로고    scopus 로고
    • Structures, spectra and photophysics of new organic fluorophores: 2,3- and 2,5-di(phenylethenyl)furan
    • 10.1016/j.chemphys.2008.08.005
    • I. Baraldi E. Benassi S. Ciorba M. Šindler-Kulyk I. Škorić A. Spalletti 2008 Structures, spectra and photophysics of new organic fluorophores: 2,3- and 2,5-di(phenylethenyl)furan Chem. Phys. 353 163 169 10.1016/j.chemphys.2008.08.005
    • (2008) Chem. Phys. , vol.353 , pp. 163-169
    • Baraldi, I.1    Benassi, E.2    Ciorba, S.3    Šindler-Kulyk, M.4    Škorić, I.5    Spalletti, A.6
  • 2
    • 67449152280 scopus 로고    scopus 로고
    • Spectra and photophysics of new organic fluorophores: 2,3-di(phenylethenyl)benzofuran derivatives
    • (in press). doi:10.1016/j.chemphys.2009.05.009
    • Baraldi, I., Benassi, E., Ciorba, S., Šindler-Kulyk, M., Škorić, I., Spalletti, A.: Spectra and photophysics of new organic fluorophores: 2,3-di(phenylethenyl)benzofuran derivatives. Chem. Phys. (2009, in press). doi: 10.1016/j.chemphys.2009.05.009
    • (2009) Chem. Phys.
    • Baraldi, I.1
  • 3
    • 54249122706 scopus 로고    scopus 로고
    • Cis peak as probe to investigate the molecular structure. Application to the rotational isomerism of 2,5-diphenylethenyl(hetero)arenes
    • 10.1016/j.saa.2008.01.009
    • I. Baraldi E. Benassi A. Spalletti 2008 Cis peak as probe to investigate the molecular structure. Application to the rotational isomerism of 2,5-diphenylethenyl(hetero)arenes Spectrochim. Acta A 71 543 549 10.1016/j.saa.2008.01.009
    • (2008) Spectrochim. Acta A , vol.71 , pp. 543-549
    • Baraldi, I.1    Benassi, E.2    Spalletti, A.3
  • 4
    • 84962449502 scopus 로고    scopus 로고
    • Theoretical study on curcumin: A comparison of calculated spectroscopic properties with NMR, Uv-Vis and IR experimental data
    • 10.1016/j.molstruc.2008.05.024
    • R. Benassi E. Ferrari S. Lazzari F. Spagnolo M. Saladini 2008 Theoretical study on curcumin: a comparison of calculated spectroscopic properties with NMR, Uv-Vis and IR experimental data J. Mol. Struct. 892 168 176 10.1016/j.molstruc.2008.05.024
    • (2008) J. Mol. Struct. , vol.892 , pp. 168-176
    • Benassi, R.1    Ferrari, E.2    Lazzari, S.3    Spagnolo, F.4    Saladini, M.5
  • 6
    • 0038324398 scopus 로고    scopus 로고
    • The role of iron chelation in cancer therapy
    • DOI 10.2174/0929867033457638
    • J.L. Bussl F.M. Torti S.V. Torti 2003 The role of iron chelation in cancer therapy Curr. Med. Chem. 10 1021 1034 10.2174/0929867033457638 (Pubitemid 36582246)
    • (2003) Current Medicinal Chemistry , vol.10 , Issue.12 , pp. 1021-1034
    • Buss, J.L.1    Torti, F.M.2    Torti, S.V.3
  • 7
    • 84962359221 scopus 로고    scopus 로고
    • Ab initio study of solvated molecules: A new implementation of the polarizable continuum model
    • 10.1016/0009-2614(96)00349-1
    • M. Cossi V. Barone J. Cammi 1996 Ab initio study of solvated molecules: a new implementation of the polarizable continuum model Chem. Phys. Lett. 255 327 10.1016/0009-2614(96)00349-1
    • (1996) Chem. Phys. Lett. , vol.255 , pp. 327
    • Cossi, M.1    Barone, V.2    Cammi, J.3
  • 8
    • 0002876783 scopus 로고
    • On the theory of solvent effects
    • 10.1007/BF00550242
    • R. Costanciel O. Tapia 1978 On the theory of solvent effects Theor. Chim. Acta 48 75 86 10.1007/BF00550242
    • (1978) Theor. Chim. Acta , vol.48 , pp. 75-86
    • Costanciel, R.1    Tapia, O.2
  • 10
    • 13844269721 scopus 로고    scopus 로고
    • Biologic evaluation of curcumin and structural derivatives in cancer chemoprevention model systems
    • DOI 10.1016/j.phytochem.2004.08.008
    • S. Gafner S.K. Lee M. Cuendet S. Barthelemy L. Vergnes S. Labidalle R.G. Mehta C.W. Boone J.M. Pezzuto 2004 Biologic evaluation of curcumin and structural derivatives in cancer chemoprevention model systems Phytochemistry 65 2849 2859 10.1016/j.phytochem.2004.08.008 (Pubitemid 40292116)
    • (2004) Phytochemistry , vol.65 , pp. 2849-2859
    • Gafner, S.1    Lee, S.-K.2    Cuendet, M.3    Barthelemy, S.4    Vergnes, L.5    Labidalle, S.6    Mehta, R.G.7    Boone, C.W.8    Pezzuto, J.M.9
  • 12
  • 14
    • 33644901007 scopus 로고    scopus 로고
    • Multiple biological activities of curcumin: A short review
    • 10.1016/j.lfs.2005.12.007
    • R.K. Maheshwari A.K. Singh J. Gaddipati R.C. Srimal 2006 Multiple biological activities of curcumin: a short review Life Sci. 78 2081 2087 10.1016/j.lfs.2005.12.007
    • (2006) Life Sci. , vol.78 , pp. 2081-2087
    • Maheshwari, R.K.1    Singh, A.K.2    Gaddipati, J.3    Srimal, R.C.4
  • 15
    • 0012447730 scopus 로고
    • Quantum-chemical study of radical ions and molecules incorporating solvent effect: I. Solvent effect within the π (PPP-like) and CNDO methods
    • 10.1016/0301-0104(77)85175-6
    • S. Miertus O. Kysel 1977 Quantum-chemical study of radical ions and molecules incorporating solvent effect: I. Solvent effect within the π (PPP-like) and CNDO methods Chem. Phys. 21 27 32 10.1016/0301-0104(77)85175-6
    • (1977) Chem. Phys. , vol.21 , pp. 27-32
    • Miertus, S.1    Kysel, O.2
  • 16
    • 4243779081 scopus 로고
    • Quantum-chemical study of radical ions and molecules incorporating the solvent effect, comment on the method of incorporation of the solvent effect
    • 10.1016/0009-2614(79)87089-X
    • S. Miertus O. Kysel 1979 Quantum-chemical study of radical ions and molecules incorporating the solvent effect, comment on the method of incorporation of the solvent effect Chem. Phys. Lett. 65 395 398 10.1016/0009-2614(79)87089-X
    • (1979) Chem. Phys. Lett. , vol.65 , pp. 395-398
    • Miertus, S.1    Kysel, O.2
  • 17
    • 84946893847 scopus 로고
    • Electrostatic interaction of a solute with a continuum. A direct utilizaion of ab initio molecular potentials for the prevision of solvent effects
    • 10.1016/0301-0104(81)85090-2
    • S. Miertus E. Scrocco J. Tomasi 1981 Electrostatic interaction of a solute with a continuum. A direct utilizaion of ab initio molecular potentials for the prevision of solvent effects Chem. Phys. 55 117 129 10.1016/0301- 0104(81)85090-2
    • (1981) Chem. Phys. , vol.55 , pp. 117-129
    • Miertus, S.1    Scrocco, E.2    Tomasi, J.3
  • 18
    • 84962432699 scopus 로고
    • Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes
    • 10.1016/0301-0104(82)85072-6
    • S. Miertus J. Tomasi 1982 Approximate evaluations of the electrostatic free energy and internal energy changes in solution processes Chem. Phys. 65 239 245 10.1016/0301-0104(82)85072-6
    • (1982) Chem. Phys. , vol.65 , pp. 239-245
    • Miertus, S.1    Tomasi, J.2
  • 19
    • 0346984879 scopus 로고
    • A new INDO-type procedure for conjugated non-rogid molecules. II. Extension to electronic spectra and excited-state potential curves
    • 10.1016/0301-0104(83)85359-2
    • F. Momicchioli I. Baraldi M.C. Bruni 1983 A new INDO-type procedure for conjugated non-rogid molecules. II. Extension to electronic spectra and excited-state potential curves Chem. Phys. 82 229 252 10.1016/0301-0104(83) 85359-2
    • (1983) Chem. Phys. , vol.82 , pp. 229-252
    • Momicchioli, F.1    Baraldi, I.2    Bruni, M.C.3
  • 20
    • 84982364659 scopus 로고
    • A synthesis of curcumin and related compounds
    • H.J.J. Pabon 1964 A synthesis of curcumin and related compounds Recl. Trav. Chim. Pays-Bas 83 379 386
    • (1964) Recl. Trav. Chim. Pays-Bas , vol.83 , pp. 379-386
    • Pabon, H.J.J.1
  • 24
    • 34648819489 scopus 로고    scopus 로고
    • Curcumin contributes to in vitro removal of non-transferrin bound iron by deferiprone and desferrioxamine in thalassemic plasma
    • DOI 10.2174/157340607781745447
    • S. Srichairatanakool C. Thephinlap C. Phisalaphong J.B. Porter S. Fucharoen 2007 Curcumin contributes to in vitro removal of non-transferrin bound iron by deferiprone and desferrioxamine in thalassemic plasma Med. Chem. 3 469 474 10.2174/157340607781745447 (Pubitemid 47455737)
    • (2007) Medicinal Chemistry , vol.3 , Issue.5 , pp. 469-474
    • Srichairatanakool, S.1    Thephinlap, C.2    Phisalaphong, C.3    Porter, J.B.4    Fucharoen, S.5
  • 25
    • 11744256643 scopus 로고
    • Molecular interactions in solution: An overview of methods based on continuous distributions of the solvent
    • 10.1021/cr00031a013
    • J. Tomasi M. Persico 1994 Molecular interactions in solution: an overview of methods based on continuous distributions of the solvent Chem. Rev. 94 2027 2094 10.1021/cr00031a013
    • (1994) Chem. Rev. , vol.94 , pp. 2027-2094
    • Tomasi, J.1    Persico, M.2
  • 26
    • 0001617853 scopus 로고
    • Structural studies of curcuminoids. I. The crystal structure of curcumin
    • 10.3891/acta.chem.scand.36b-0475
    • H.H. Tønnesen J. Karlsen A. Mostad 1982 Structural studies of curcuminoids. I. The crystal structure of curcumin Acta Chem. Scand. B 36 475 479 10.3891/acta.chem.scand.36b-0475
    • (1982) Acta Chem. Scand. B , vol.36 , pp. 475-479
    • Tønnesen, H.H.1    Karlsen, J.2    Mostad, A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.