2009
DOI: 10.1140/epje/i2009-10485-7
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The UV-vis absorption spectrum of the flavonol quercetin in methanolic solution: A theoretical investigation

Abstract: The UV-vis absorption spectrum of the solvated quercetin molecule in methanol was investigated theoretically by means of an elegant type of QM/MM scheme better known as sequential Monte Carlo/quantum mechanics (S-MC/QM) methodology. A set of 125 uncorrelated Monte Carlo molecular liquid structures were properly selected through the autocorrelation function of the energy in order to be used in the quantum mechanical calculations. These molecular liquid structures were obtained by means of the radial and minimum… Show more

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Cited by 21 publications
(12 citation statements)
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“…The peak at 610 nm is ascribed to SiQDs emitting red photoluminescence, which is quenched slightly in dual‐loaded PEG–PLA nanoparticles. The UV‐vis absorption spectra provide valuable information about the encapsulation of quercetin in PEG–PLA nanoparticles 35. The quercetin loaded PEG–PLA nanoparticles and SiQDs only PEG–PLA nanoparticles have distinct absorption spectra.…”
Section: Resultsmentioning
confidence: 99%
“…The peak at 610 nm is ascribed to SiQDs emitting red photoluminescence, which is quenched slightly in dual‐loaded PEG–PLA nanoparticles. The UV‐vis absorption spectra provide valuable information about the encapsulation of quercetin in PEG–PLA nanoparticles 35. The quercetin loaded PEG–PLA nanoparticles and SiQDs only PEG–PLA nanoparticles have distinct absorption spectra.…”
Section: Resultsmentioning
confidence: 99%
“…Up to now, many studies on photo-induced refractive index change under irradiation from UV lamps concentrated on PMMA containing either photochemically active dopants or residual monomer have been reported [1]. Further investigation in this direction is warranted as it may provide a practical solution to realize low-cost fabrication of polymeric devices [2][3][4][5][6].…”
Section: Introductionmentioning
confidence: 99%
“…the most studied of the dietary flavonoids and one of the most abundant plant-derived polyphenols widely consumed in a human diet [17][18][19][20][21][22][23][24][25][26]. Quercetin ( Figure 1), containing the 3',4'-dihydroxy structure of the B ring (catechol B ring), is known to possess a high antioxidant ability expressed through scavenging of free radicals (a "chain-breaking role").…”
mentioning
confidence: 99%