ArticleThe European physical journal. E, Soft matter2009
The UV-vis absorption spectrum of the flavonol quercetin in methanolic solution: A theoretical investigation.
Article in The European physical journal. E, Soft matter, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed, 27 citations in OpenAlex.
- Enhancement of solubility and antioxidant activity of quercetin in choline-aspartate ionic liquid: spectroscopic, volumetric and kinetic insights.BMC chemistry · 2026Article
- Effect of choline-tryptophan based ionic liquid on the solubility and scavenging activity of quercetin: thermophysical and spectroscopic approach.BMC chemistry · 2025Article
- Optimization of Combined Ultrasound and Microwave-Assisted Extraction for Enhanced Bioactive Compounds Recovery from Four Medicinal Plants: Oregano, Rosemary, Hypericum, and Chamomile.Molecules (Basel, Switzerland) · 2024Article
- Validation of an HPLC-DAD Method for Quercetin Quantification in Nanoparticles.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Anti-amyloidogenic property of gold nanoparticle decorated quercetin polymer nanorods in pH and temperature induced aggregation of lysozyme.RSC advances · 2022Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
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 distance distribution functions. A detailed account of the pattern of hydrogen bond structures obtained in this study is also available. The computed results obtained here were directly compared with the available experimental data in order to validate our theoretical model and through this comparison a very good conformity between theoretical and available experimental results was found.
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Registered trials
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