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Journal of Spectroscopy
Volume 2016 (2016), Article ID 3137140, 9 pages
http://dx.doi.org/10.1155/2016/3137140
Research Article

The Influence of Molecular Structure Modifications on Vibrational Properties of Some Beta Blockers: A Combined Raman and DFT Study

1Department of Mathematics and Computer Science, “Iuliu Hatieganu” University of Medicine and Pharmacy, L. Pasteur 6, 400349 Cluj-Napoca, Romania
2Department of Pharmaceutical Physics-Biophysics, “Iuliu Hatieganu” University of Medicine and Pharmacy, L. Pasteur 6, 400349 Cluj-Napoca, Romania
3Faculty of Physics, “Babes-Bolyai” University, Kogalniceanu 1, 400084 Cluj-Napoca, Romania

Received 7 October 2015; Accepted 26 January 2016

Academic Editor: Stephen Cooke

Copyright © 2016 A. Farcaș et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. E. Smith and G. Dent, Modern Raman Spectroscopy: A Practical Approach, John Wiley & Sons, Chichester, UK, 2005.
  2. N. Freemantle, J. Cleland, P. Young, J. Mason, and J. Harrison, “β blockade after myocardial infarction: systematic review and meta regression analysis,” The British Medical Journal, vol. 318, no. 7200, pp. 1730–1737, 1999. View at Publisher · View at Google Scholar · View at Scopus
  3. A. G. Wilson, O. G. Brooke, H. J. Lloyd, and B. F. Robinson, “Mechanism of action of βadrenergic receptor blocking agents in angina pectoris: comparison of action of propranolol with dexpropranolol and practolol,” British Medical Journal, vol. 4, no. 5680, pp. 399–401, 1969. View at Publisher · View at Google Scholar · View at Scopus
  4. K. Stoschitzky, W. Lindner, and G. Zernig, “Racemic beta-blockers—fixed combinations of different drugs,” Journal of Clinical and Basic Cardiology, vol. 1, no. 1, pp. 14–18, 1998. View at Google Scholar · View at Scopus
  5. Beta-Blockers, August 2015, http://list.wada-ama.org/list/p2-beta-blockers.
  6. A. Rupérez and J. J. Laserna, “Surface-enhanced Raman spectrometry of chiral β-blocker drugs on colloidal silver,” Analytica Chimica Acta, vol. 335, no. 1-2, pp. 87–94, 1996. View at Publisher · View at Google Scholar · View at Scopus
  7. C. Levene, E. Correa, E. W. Blanch, and R. Goodacre, “Enhancing surface enhanced Raman scattering (SERS) detection of propranolol with multiobjective evolutionary optimization,” Analytical Chemistry, vol. 84, no. 18, pp. 7899–7905, 2012. View at Publisher · View at Google Scholar · View at Scopus
  8. R. Stiufiuc, C. Iacovita, C. M. Lucaciu et al., “Adsorption geometry of propranolol enantiomers on silver nanoparticles,” Journal of Molecular Structure, vol. 1031, pp. 201–206, 2013. View at Publisher · View at Google Scholar · View at Scopus
  9. E. Bodoki, M. Oltean, A. Bodoki, and R. Ştiufiuc, “Chiral recognition and quantification of propranolol enantiomers by surface enhanced Raman scattering through supramolecular interaction with β-cyclodextrin,” Talanta, vol. 101, pp. 53–58, 2012. View at Publisher · View at Google Scholar · View at Scopus
  10. R. Stiufiuc, C. Iacovita, G. Stiufiuc, E. Bodoki, V. Chis, and C. M. Lucaciu, “Surface mediated chiral interactions between cyclodextrins and propranolol enantiomers: a SERS and DFT study,” Physical Chemistry Chemical Physics, vol. 17, no. 2, pp. 1281–1289, 2015. View at Publisher · View at Google Scholar · View at Scopus
  11. O. Cozar, L. Szabó, I. B. Cozar et al., “Spectroscopic and DFT study of atenolol and metoprolol and their copper complexes,” Journal of Molecular Structure, vol. 993, no. 1–3, pp. 357–366, 2011. View at Publisher · View at Google Scholar · View at Scopus
  12. N. Leopold and B. Lendl, “A new method for fast preparation of highly surface-enhanced raman scattering (SERS) active silver colloids at room temperature by reduction of silver nitrate with hydroxylamine hydrochloride,” The Journal of Physical Chemistry B, vol. 107, no. 24, pp. 5723–5727, 2003. View at Publisher · View at Google Scholar · View at Scopus
  13. K. C. Grabar, R. Griffith Freeman, M. B. Hommer, and M. J. Natan, “Preparation and characterization of Au colloid monolayers,” Analytical Chemistry, vol. 67, no. 4, pp. 735–743, 1995. View at Publisher · View at Google Scholar · View at Scopus
  14. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian 09, Revision A.02, Gaussian, Wallingford, Conn, USA, 2009.
  15. A. D. Becke, “Density-functional thermochemistry. III. The role of exact exchange,” The Journal of Chemical Physics, vol. 98, no. 7, pp. 5648–5652, 1993. View at Publisher · View at Google Scholar · View at Scopus
  16. C. Lee, W. Yang, and R. G. Parr, “Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density,” Physical Review B, vol. 37, no. 2, pp. 785–789, 1988. View at Publisher · View at Google Scholar · View at Scopus
  17. P. L. Polavarapu, “Ab initio vibrational Raman and Raman optical activity spectra,” Journal of Physical Chemistry, vol. 94, no. 21, pp. 8106–8112, 1990. View at Publisher · View at Google Scholar · View at Scopus
  18. G. A. Guirgis, Y. E. Nashed, and J. R. Durig, “Raman and infrared spectra, conformational stability, ab initio calculations and vibrational assignments for 2-chloroethyl silane,” Journal of Molecular Structure, vol. 510, no. 1–3, pp. 13–34, 1999. View at Publisher · View at Google Scholar · View at Scopus
  19. A. P. Scott and L. Radom, “Harmonic vibrational frequencies: an evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors,” The Journal of Physical Chemistry, vol. 100, no. 41, pp. 16502–16513, 1996. View at Publisher · View at Google Scholar · View at Scopus
  20. J. A. Creighton, “Surface raman electromagnetic enhancement factors for molecules at the surface of small isolated metal spheres: the determination of adsorbate orientation from sers relative intensities,” Surface Science, vol. 124, no. 1, pp. 209–219, 1983. View at Publisher · View at Google Scholar · View at Scopus
  21. M. Moskovits and J. S. Suh, “Surface selection rules for surface-enhanced Raman spectroscopy: calculations and application to the surface-enhanced Raman spectrum of phthalazine on silver,” The Journal of Physical Chemistry, vol. 88, no. 23, pp. 5526–5530, 1984. View at Publisher · View at Google Scholar · View at Scopus
  22. X. Dong, H. Gu, and F. Liu, “Study of the surface-enhanced Raman spectroscopy of residual impurities in hydroxylamine-reduced silver colloid and the effects of anions on the colloid activity,” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 88, pp. 97–101, 2012. View at Publisher · View at Google Scholar · View at Scopus
  23. N. R. Yaffe and E. W. Blanch, “Effects and anomalies that can occur in SERS spectra of biological molecules when using a wide range of aggregating agents for hydroxylamine-reduced and citrate-reduced silver colloids,” Vibrational Spectroscopy, vol. 48, no. 2, pp. 196–201, 2008. View at Publisher · View at Google Scholar · View at Scopus