Study on fisetin-aluminium(III) interaction in aqueous buffered solutions by spectroscopy and molecular modeling
Samo za registrovane korisnike
2009
Autori
Dimitrić Marković, Jasmina M.Marković, Zoran S.
Veselinović, Dragan S.
Krstić, Jugoslav
Predojević, Simović J.D.
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
Spectroscopic (UV/visible and IR) and theoretical studies were used to assess relevant interaction of fisetin, a tetrahydroxylated flavone molecule, and trivalent aluminium in a wide range of buffered aqueous solutions. The chelation sites, stoichiometry, stability and the dependence of the complexes structures on pH and aluminium/fisetin mole ratios were defined. Obtained results implicated successive formation of two complexes with aluminium(III)-fisetin stoichiometries of 1:1 and 2:1. Considering the fisetin molecular structure, results of vibrational analysis and theoretical calculations, it is possible to implicate 3-hydroxyl-4-carbonyl and 3′4′-dihydroxyl groups as those with the possible chelating power. The equilibrium geometries were optimized in vacuum at the B3LYP/6-31G(d) level of theory, which predict structural modifications between the ligand molecule in free state and in the complex structure. The theoretical model has been validated by both vibrational and electronic s...pectroscopies.
Ključne reči:
Aluminium(III) / Complex formation / Density functional theory / Electronic spectra / Fisetin / IR spectra / Stability constants / StoichiometryIzvor:
Journal of Inorganic Biochemistry, 2009, 103, 5, 723-730Izdavač:
- Elsevier Science Inc, New York
DOI: 10.1016/j.jinorgbio.2009.01.005
ISSN: 0162-0134
PubMed: 19217163
WoS: 000265758200008
Scopus: 2-s2.0-64749089227
Institucija/grupa
IHTMTY - JOUR AU - Dimitrić Marković, Jasmina M. AU - Marković, Zoran S. AU - Veselinović, Dragan S. AU - Krstić, Jugoslav AU - Predojević, Simović J.D. PY - 2009 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/566 AB - Spectroscopic (UV/visible and IR) and theoretical studies were used to assess relevant interaction of fisetin, a tetrahydroxylated flavone molecule, and trivalent aluminium in a wide range of buffered aqueous solutions. The chelation sites, stoichiometry, stability and the dependence of the complexes structures on pH and aluminium/fisetin mole ratios were defined. Obtained results implicated successive formation of two complexes with aluminium(III)-fisetin stoichiometries of 1:1 and 2:1. Considering the fisetin molecular structure, results of vibrational analysis and theoretical calculations, it is possible to implicate 3-hydroxyl-4-carbonyl and 3′4′-dihydroxyl groups as those with the possible chelating power. The equilibrium geometries were optimized in vacuum at the B3LYP/6-31G(d) level of theory, which predict structural modifications between the ligand molecule in free state and in the complex structure. The theoretical model has been validated by both vibrational and electronic spectroscopies. PB - Elsevier Science Inc, New York T2 - Journal of Inorganic Biochemistry T1 - Study on fisetin-aluminium(III) interaction in aqueous buffered solutions by spectroscopy and molecular modeling VL - 103 IS - 5 SP - 723 EP - 730 DO - 10.1016/j.jinorgbio.2009.01.005 ER -
@article{ author = "Dimitrić Marković, Jasmina M. and Marković, Zoran S. and Veselinović, Dragan S. and Krstić, Jugoslav and Predojević, Simović J.D.", year = "2009", abstract = "Spectroscopic (UV/visible and IR) and theoretical studies were used to assess relevant interaction of fisetin, a tetrahydroxylated flavone molecule, and trivalent aluminium in a wide range of buffered aqueous solutions. The chelation sites, stoichiometry, stability and the dependence of the complexes structures on pH and aluminium/fisetin mole ratios were defined. Obtained results implicated successive formation of two complexes with aluminium(III)-fisetin stoichiometries of 1:1 and 2:1. Considering the fisetin molecular structure, results of vibrational analysis and theoretical calculations, it is possible to implicate 3-hydroxyl-4-carbonyl and 3′4′-dihydroxyl groups as those with the possible chelating power. The equilibrium geometries were optimized in vacuum at the B3LYP/6-31G(d) level of theory, which predict structural modifications between the ligand molecule in free state and in the complex structure. The theoretical model has been validated by both vibrational and electronic spectroscopies.", publisher = "Elsevier Science Inc, New York", journal = "Journal of Inorganic Biochemistry", title = "Study on fisetin-aluminium(III) interaction in aqueous buffered solutions by spectroscopy and molecular modeling", volume = "103", number = "5", pages = "723-730", doi = "10.1016/j.jinorgbio.2009.01.005" }
Dimitrić Marković, J. M., Marković, Z. S., Veselinović, D. S., Krstić, J.,& Predojević, S. J.D.. (2009). Study on fisetin-aluminium(III) interaction in aqueous buffered solutions by spectroscopy and molecular modeling. in Journal of Inorganic Biochemistry Elsevier Science Inc, New York., 103(5), 723-730. https://doi.org/10.1016/j.jinorgbio.2009.01.005
Dimitrić Marković JM, Marković ZS, Veselinović DS, Krstić J, Predojević SJ. Study on fisetin-aluminium(III) interaction in aqueous buffered solutions by spectroscopy and molecular modeling. in Journal of Inorganic Biochemistry. 2009;103(5):723-730. doi:10.1016/j.jinorgbio.2009.01.005 .
Dimitrić Marković, Jasmina M., Marković, Zoran S., Veselinović, Dragan S., Krstić, Jugoslav, Predojević, Simović J.D., "Study on fisetin-aluminium(III) interaction in aqueous buffered solutions by spectroscopy and molecular modeling" in Journal of Inorganic Biochemistry, 103, no. 5 (2009):723-730, https://doi.org/10.1016/j.jinorgbio.2009.01.005 . .