Repozytorium Uniwersytetu Jagiellońskiego

Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations

Tobacco alkaloids analyzed by Raman spectroscopy and ...

Metadane (Dublin Core) Barańska, Małgorzata [SAP11016906] pl Dobrowolski, Jan Cz. pl Kaczor, Agnieszka [SAP11018145] pl Chruszcz-Lipska, Katarzyna [SAP11018549] pl Górz, Katarzyna pl Ryguła, Anna [SAP14002897] pl 2015-08-28T13:11:56Z 2015-08-28T13:11:56Z 2012 pl
dc.identifier.issn 0377-0486 pl
dc.language eng pl
dc.title Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations pl
dc.type JournalArticle pl
dc.description.physical 1065-1073 pl
dc.abstract.en The tobacco alkaloids: nicotine, nornicotine, cotinine, anabasine, their protonated forms, and salts were analyzed by means of Raman spectroscopy supported by the density functional theory/B3LYP/aug-cc-pVDZ calculations. The analyses were per- formed based on Raman marker bands of neutral, monoprotonated, and diprotonated forms of tobacco alkaloids because in different surroundings various forms have been suggested to either dominate or to coexist. The form and distribution of nicotine directly in a plant and in phytopharmaceutical products were investigated by in situ Raman mapping. For the fi rst time, the Raman optical activity spectrum of ( )-nicotine in aqueous solution was measured and interpreted by means of the density functional theory calculations. The study provides a clear evidence that Raman spectroscopy techniques are pow- erful in ef fi cient quality control and forensic and bioanalytical analyses of tobacco alkaloids. pl
dc.subject.en nicotine pl
dc.subject.en Raman optical activity pl
dc.subject.en tobacco alkaloids pl
dc.subject.en Raman mapping pl
dc.subject.en in situ analysis pl
dc.description.volume 43 pl
dc.description.number 8 pl
dc.description.points 35 pl
dc.identifier.doi 10.1002/jrs.3127 pl
dc.identifier.eissn 1097-4555 pl
dc.title.journal Journal of Raman Spectroscopy pl
dc.language.container eng pl
dc.affiliation Wydział Chemii : Zakład Fizyki Chemicznej pl
dc.subtype Article pl
dc.rights.original bez licencji pl
.pointsMNiSW [2012 A]: 35

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