Repozytorium Uniwersytetu Jagiellońskiego

Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations

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dc.contributor.author

Barańska, Małgorzata [SAP11016906]

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Dobrowolski, Jan Cz.

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Kaczor, Agnieszka [SAP11018145]

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Chruszcz-Lipska, Katarzyna [SAP11018549]

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Górz, Katarzyna

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Ryguła, Anna [USOS1390]

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dc.date.accessioned

2015-08-28T13:11:56Z

dc.date.available

2015-08-28T13:11:56Z

dc.date.issued

2012

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dc.identifier.issn

0377-0486

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dc.identifier.uri

http://ruj.uj.edu.pl/xmlui/handle/item/15148

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eng

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dc.title

Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations

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dc.type

JournalArticle

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dc.description.physical

1065-1073

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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.

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dc.subject.en

nicotine

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dc.subject.en

Raman optical activity

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dc.subject.en

tobacco alkaloids

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dc.subject.en

Raman mapping

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dc.subject.en

in situ analysis

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dc.description.volume

43

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dc.description.number

8

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dc.description.points

35

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dc.identifier.doi

10.1002/jrs.3127

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dc.identifier.eissn

1097-4555

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dc.title.journal

Journal of Raman Spectroscopy

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dc.language.container

eng

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dc.affiliation

Wydział Chemii : Zakład Fizyki Chemicznej

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dc.subtype

Article

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.pointsMNiSW

[2012 A]: 35



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