Szczegóły publikacji
Opis bibliograficzny
Application of spectroscopic methods for identification (FT-IR, Raman spectroscopy) and determination (UV, EPR) of quercetin-3-O-rutinoside : experimental and DFT based approach / Magdalena Paczkowska, Kornelia Lewandowska, Waldemar Bednarski, Mikołaj Mizera, Agnieszka PODBORSKA, Anna Krause, Judyta Cielecka-Piontek // Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy ; ISSN 1386-1425. — 2015 — vol. 140, s. 132–139. — Bibliogr. s. 139, Abstr. — Publikacja dostępna online od: 2014-12-25
Autorzy (7)
- Paczkowska Magdalena
- Lewandowska Kornelia
- Bednarski Waldemar
- Mizera Mikołaj
- AGHPodborska Agnieszka
- Krause Anna
- Cielecka-Piontek Judyta
Słowa kluczowe
Dane bibliometryczne
| ID BaDAP | 95724 |
|---|---|
| Data dodania do BaDAP | 2016-02-09 |
| Tekst źródłowy | URL |
| DOI | 10.1016/j.saa.2014.12.050 |
| Rok publikacji | 2015 |
| Typ publikacji | artykuł w czasopiśmie |
| Otwarty dostęp |  |
| Czasopismo/seria | Spectrochimica Acta, Part A, Molecular and Biomolecular Spectroscopy |
Abstract
Vibrational (FT-IR, Raman) and electronic (UV, EPR) spectral measurements were performed for an analysis of rutin (quercetin-3-O-rutinoside) obtained from Rutaofficinalis. The identification of rutin was done with the use of FT-IR and Raman spectra. Those experimental spectra were determined with the support of theoretical calculations based on a DFT method with the B3LYP hybrid functional and 6-31G(d,p) basis set. The application of UV and EPR spectra was found to be a suitable analytical approach to the evaluation of changes in rutin exposed to certain physicochemical factors. Differences in absorbance observed in direct UV spectra were used to monitor changes in the concentration of rutin in degraded samples. Spectra of electron paramagnetic resonance allowed studying the process of free-radical quenching in rutin following its exposure to light. The molecular electrostatic potential (MEP) and frontier molecular orbitals (LUMO–HOMO) were also determined in order to predict structural changes and reactive sites in rutin.
