Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations
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 performed based on Raman marker bands of neutral, monoprotona...
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| Veröffentlicht in: | Journal of Raman spectroscopy 2012-08, Vol.43 (8), p.1065-1073 |
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| container_title | Journal of Raman spectroscopy |
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| creator | Baranska, M. Dobrowolski, J. Cz Kaczor, A. Chruszcz-Lipska, K. Gorz, K. Rygula, A. |
| description | 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 performed 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 first 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 powerful in efficient quality control and forensic and bioanalytical analyses of tobacco alkaloids. Copyright © 2012 John Wiley & Sons, Ltd.
The tobacco alkaloids, including nicotine, were analyzed by means of Raman spectroscopy supported by the B3LYP/aug‐cc‐pVDZ calculations. The form and distribution of nicotine directly in plant and pharmaceutical products were investigated by in situ Raman mapping. Additionally, for the first time, the Raman optical activity spectrum of (–)‐nicotine in aqueous solution was measured and interpreted. |
| doi_str_mv | 10.1002/jrs.3127 |
| format | Article |
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The tobacco alkaloids, including nicotine, were analyzed by means of Raman spectroscopy supported by the B3LYP/aug‐cc‐pVDZ calculations. The form and distribution of nicotine directly in plant and pharmaceutical products were investigated by in situ Raman mapping. Additionally, for the first time, the Raman optical activity spectrum of (–)‐nicotine in aqueous solution was measured and interpreted.</description><identifier>ISSN: 0377-0486</identifier><identifier>EISSN: 1097-4555</identifier><identifier>DOI: 10.1002/jrs.3127</identifier><identifier>CODEN: JRSPAF</identifier><language>eng</language><publisher>Chichester, UK: John Wiley & Sons, Ltd</publisher><subject>Alkaloids ; Aqueous solutions ; Density functional theory ; in situ analysis ; Mathematical analysis ; Nicotine ; Optical activity ; Raman mapping ; Raman optical activity ; Raman spectroscopy ; Tobacco ; tobacco alkaloids</subject><ispartof>Journal of Raman spectroscopy, 2012-08, Vol.43 (8), p.1065-1073</ispartof><rights>Copyright © 2012 John Wiley & Sons, Ltd.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c3647-f157e5bff2ca7e8a3a157f57e15d96f02ba7fa4e76321a7ef911b665248684fd3</citedby><cites>FETCH-LOGICAL-c3647-f157e5bff2ca7e8a3a157f57e15d96f02ba7fa4e76321a7ef911b665248684fd3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fjrs.3127$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fjrs.3127$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>315,782,786,1419,27933,27934,45583,45584</link.rule.ids></links><search><creatorcontrib>Baranska, M.</creatorcontrib><creatorcontrib>Dobrowolski, J. Cz</creatorcontrib><creatorcontrib>Kaczor, A.</creatorcontrib><creatorcontrib>Chruszcz-Lipska, K.</creatorcontrib><creatorcontrib>Gorz, K.</creatorcontrib><creatorcontrib>Rygula, A.</creatorcontrib><title>Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations</title><title>Journal of Raman spectroscopy</title><addtitle>J. Raman Spectrosc</addtitle><description>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 performed 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 first 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 powerful in efficient quality control and forensic and bioanalytical analyses of tobacco alkaloids. Copyright © 2012 John Wiley & Sons, Ltd.
The tobacco alkaloids, including nicotine, were analyzed by means of Raman spectroscopy supported by the B3LYP/aug‐cc‐pVDZ calculations. The form and distribution of nicotine directly in plant and pharmaceutical products were investigated by in situ Raman mapping. Additionally, for the first time, the Raman optical activity spectrum of (–)‐nicotine in aqueous solution was measured and interpreted.</description><subject>Alkaloids</subject><subject>Aqueous solutions</subject><subject>Density functional theory</subject><subject>in situ analysis</subject><subject>Mathematical analysis</subject><subject>Nicotine</subject><subject>Optical activity</subject><subject>Raman mapping</subject><subject>Raman optical activity</subject><subject>Raman spectroscopy</subject><subject>Tobacco</subject><subject>tobacco alkaloids</subject><issn>0377-0486</issn><issn>1097-4555</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><recordid>eNp10F1LwzAUBuAgCs4p-BMK3njTmbRN0l7KdNMxFLf5cRdO0wS6Zc1sWrT-ejMmioJXgZOHw3lfhE4JHhCMo4tl7QYxifge6hGc8TChlO6jHo45D3GSskN05NwSY5xljPTQ9cLmIKUNwKzA2LJwAVRgug9VBHkXzGANVeA2Sja1ddJuOv9dBFejRSDByNZAU9rKHaMDDcapk6-3jx5H14vhTTi9H98OL6ehjFnCQ00oVzTXOpLAVQox-IH2M0KLjGkc5cA1JIqzOCJe6IyQnDEa-bvTRBdxH53v9m5q-9oq14h16aQyBiplWycITYgPTDj19OwPXdq29tG2ivAEMxKlPwulj-dqpcWmLtdQd4Jgse1T-D7Ftk9Pwx19K43q_nViMpv_9qVr1Pu3h3olGI85Fc93Y_EyfnpI2WQucPwJ9sqEpQ</recordid><startdate>201208</startdate><enddate>201208</enddate><creator>Baranska, M.</creator><creator>Dobrowolski, J. 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Cz</au><au>Kaczor, A.</au><au>Chruszcz-Lipska, K.</au><au>Gorz, K.</au><au>Rygula, A.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations</atitle><jtitle>Journal of Raman spectroscopy</jtitle><addtitle>J. Raman Spectrosc</addtitle><date>2012-08</date><risdate>2012</risdate><volume>43</volume><issue>8</issue><spage>1065</spage><epage>1073</epage><pages>1065-1073</pages><issn>0377-0486</issn><eissn>1097-4555</eissn><coden>JRSPAF</coden><abstract>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 performed 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 first 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 powerful in efficient quality control and forensic and bioanalytical analyses of tobacco alkaloids. Copyright © 2012 John Wiley & Sons, Ltd.
The tobacco alkaloids, including nicotine, were analyzed by means of Raman spectroscopy supported by the B3LYP/aug‐cc‐pVDZ calculations. The form and distribution of nicotine directly in plant and pharmaceutical products were investigated by in situ Raman mapping. Additionally, for the first time, the Raman optical activity spectrum of (–)‐nicotine in aqueous solution was measured and interpreted.</abstract><cop>Chichester, UK</cop><pub>John Wiley & Sons, Ltd</pub><doi>10.1002/jrs.3127</doi><tpages>9</tpages></addata></record> |
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| subjects | Alkaloids Aqueous solutions Density functional theory in situ analysis Mathematical analysis Nicotine Optical activity Raman mapping Raman optical activity Raman spectroscopy Tobacco tobacco alkaloids |
| title | Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations |
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