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Comparative study of the vibrational optical activity techniques in structure elucidation : the case of galantamine

(2019) ACS OMEGA. 4(9). p.14133-14139
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Abstract
The absolute configuration of the alkaloid galantamine was studied using a range of solution-state techniques; nuclear magnetic resonance (NMR), vibrational circular dichroism (VCD), and Raman optical activity (ROA). While the combined use of NMR and VCD does provide a fast, high-resolution methodology for determining the absolute configuration of galantamine, both techniques were needed in concert to achieve this goal. ROA, on the other hand, proved to be sensitive enough to assign the full absolute configuration without relying on other techniques. In both cases, statistical validation was applied to aid the determination of absolute configuration. In the case of galantamine, ROA combined with statistical validation is shown to be a powerful stand-alone tool for absolute configuration determination.
Keywords
ABSOLUTE-CONFIGURATION ASSIGNMENT, CIRCULAR-DICHROISM VCD, CHIRAL MOLECULES, NATURAL-PRODUCTS, DERIVATIVES, GALANTHAMINE, VALIDATION, CHEMISTRY, DOCKING

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Citation

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MLA
De Gussem, Ewoud, et al. “Comparative Study of the Vibrational Optical Activity Techniques in Structure Elucidation : The Case of Galantamine.” ACS OMEGA, vol. 4, no. 9, 2019, pp. 14133–39.
APA
De Gussem, E., Tehrani, K. A., Herrebout, W. A., Bultinck, P., & Johannessen, C. (2019). Comparative study of the vibrational optical activity techniques in structure elucidation : the case of galantamine. ACS OMEGA, 4(9), 14133–14139.
Chicago author-date
De Gussem, Ewoud, Kourosch Abbaspour Tehrani, Wouter A. Herrebout, Patrick Bultinck, and Christian Johannessen. 2019. “Comparative Study of the Vibrational Optical Activity Techniques in Structure Elucidation : The Case of Galantamine.” ACS OMEGA 4 (9): 14133–39.
Chicago author-date (all authors)
De Gussem, Ewoud, Kourosch Abbaspour Tehrani, Wouter A. Herrebout, Patrick Bultinck, and Christian Johannessen. 2019. “Comparative Study of the Vibrational Optical Activity Techniques in Structure Elucidation : The Case of Galantamine.” ACS OMEGA 4 (9): 14133–14139.
Vancouver
1.
De Gussem E, Tehrani KA, Herrebout WA, Bultinck P, Johannessen C. Comparative study of the vibrational optical activity techniques in structure elucidation : the case of galantamine. ACS OMEGA. 2019;4(9):14133–9.
IEEE
[1]
E. De Gussem, K. A. Tehrani, W. A. Herrebout, P. Bultinck, and C. Johannessen, “Comparative study of the vibrational optical activity techniques in structure elucidation : the case of galantamine,” ACS OMEGA, vol. 4, no. 9, pp. 14133–14139, 2019.
@article{8642682,
  abstract     = {{The absolute configuration of the alkaloid galantamine was studied using a range of solution-state techniques; nuclear magnetic resonance (NMR), vibrational circular dichroism (VCD), and Raman optical activity (ROA). While the combined use of NMR and VCD does provide a fast, high-resolution methodology for determining the absolute configuration of galantamine, both techniques were needed in concert to achieve this goal. ROA, on the other hand, proved to be sensitive enough to assign the full absolute configuration without relying on other techniques. In both cases, statistical validation was applied to aid the determination of absolute configuration. In the case of galantamine, ROA combined with statistical validation is shown to be a powerful stand-alone tool for absolute configuration determination.}},
  author       = {{De Gussem, Ewoud and Tehrani, Kourosch Abbaspour and Herrebout, Wouter A. and Bultinck, Patrick and Johannessen, Christian}},
  issn         = {{2470-1343}},
  journal      = {{ACS OMEGA}},
  keywords     = {{ABSOLUTE-CONFIGURATION ASSIGNMENT,CIRCULAR-DICHROISM VCD,CHIRAL MOLECULES,NATURAL-PRODUCTS,DERIVATIVES,GALANTHAMINE,VALIDATION,CHEMISTRY,DOCKING}},
  language     = {{eng}},
  number       = {{9}},
  pages        = {{14133--14139}},
  title        = {{Comparative study of the vibrational optical activity techniques in structure elucidation : the case of galantamine}},
  url          = {{http://dx.doi.org/10.1021/acsomega.9b02108}},
  volume       = {{4}},
  year         = {{2019}},
}

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