http://www.cnr.it/ontology/cnr/individuo/prodotto/ID48491
Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation (Articolo in rivista)
- Type
- Label
- Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation (Articolo in rivista) (literal)
- Anno
- 2010-01-01T00:00:00+01:00 (literal)
- Alternative label
Amat, Anna; Clementi, Catia; Miliani, Costanza; Romani, Aldo; Sgamellotti, Antonio; Fantacci, Simona (2010)
Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation
in PCCP. Physical chemistry chemical physics (Print)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Amat, Anna; Clementi, Catia; Miliani, Costanza; Romani, Aldo; Sgamellotti, Antonio; Fantacci, Simona (literal)
- Pagina inizio
- Pagina fine
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Rivista
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
- DOI: 10.1039/b925700d (literal)
- Note
- ISI Web of Science (WOS) (literal)
- Titolo
- Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation (literal)
- Abstract
- A DFT-TDDFT investigation on the aluminium complexation of apigenin and
luteolin has been carried out. We have focused our attention on these
hydroxyflavonoids, which are the main components of weld, one of the
earliest natural dyestuff used in art. In particular, weld, upon
complexation with Al(III) forms a highly prized lake which has been
widely used in medieval manuscripts and easel paintings for its rich
yellow colour and transparency. The experimental spectra of apigenin
and luteolin upon addition of increasing [Al3+] show a general
red-shift of the lowest absorption bands of both flavonoids spectra,
associated with the presence of two and three isosbestic points for
apigenin and luteolin, respectively. The molecular geometries of all
the Al-apigenin and -luteolin complexes have been optimized, followed
by calculation of the formation Gibbs free energies and UV-vis
absorption spectra. The comparison between the computed absorption
spectra of the Al-flavonoid complexes and the experimental ones
corresponding to various limit [Al3+] concentrations has been used to
discriminate between the possible complexation modes as well as the
stoichiometry ratio. We have thus been able to associate specific
Al-apigenin (-luteolin) complexes with the experimental absorption
spectra as a function of the [Al3+] concentration, thus providing
insights into the aluminium complexation of these hydroxyflavonoids and
most importantly into the weld lake composition.
(literal)
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