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Abstract
Arbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were calculated by TDDFT method. In general, the predicted bond lengths and angles are in a good agreement with the values based on the X-ray crystal structure data.Praca dotyczy analizy chemicznej związku organicznego arbutyny. Dla badanego związku wykonano mikroanalizę, FTIR, UV-VIS, badania NMR. Dla uzyskanych monokryształów przeprowadzono badania metodami rentgenowskiej analizy strukturalnej i określono budowę krystaliczną. Dodatkowo wykonano obliczenia kwantowo-mechaniczne DFT.
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Details
- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
-
JOURNAL OF MOLECULAR STRUCTURE
no. 980,
pages 13 - 17,
ISSN: 0022-2860 - Language:
- English
- Publication year:
- 2010
- Bibliographic description:
- Nycz J., Małecki G., Morag M., Nowak G., Ponikiewski Ł., Kusz J., Świtlicka A.: Arbutin: Isolation, X-ray structure and computional studies// JOURNAL OF MOLECULAR STRUCTURE. -Vol. 980, nr. iss. 1-3 (2010), s.13-17
- DOI:
- Digital Object Identifier (open in new tab) 10.1016/j.molstruc.2010.06.026
- Verified by:
- Gdańsk University of Technology
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