zhpsЖурнал прикладной спектроскопииZhurnal Prikladnoii Spektroskopii0514-7506B. I. Stepanov Institute of Physics of the National Academy of Scienceszhps-271Research Article******ИК-ФУРЬЕ, КР И ЯМР-СПЕКТРОСКОПИЯ И РАСЧЕТ МЕТОДОМ ФУНКЦИОНАЛА ПЛОТНОСТИ МОЛЕКУЛЫ ГЛИМЕПИРИДА КАК КОМПОНЕНТА СУЛЬФОНИЛМОЧЕВИНЫFT-IR, RAMAN, AND NMR SPECTROSCOPY AND DFT THEORY OF GLIMEPIRIDE MOLECULE AS A SULFONYLUREA COMPOUNDÖzdemirT. .ÖzdemirT. .tozdemir@bartin.edu.trGökceH. .GökceH. .noemail@neicon.ruБартинский университет, Профессиональная школа медицинских услугBartın University, Vocational School of Health ServicesУниверситет Гиресуна, Профессиональная школа медицинских услугGiresun University, Vocational School of Health Services201810032020853517(1)-517(12)Copyright © Özdemir T..., Gökce H..., 20202020Özdemir T..., Gökce H...Özdemir T..., Gökce H...Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://zhps.ejournal.by/jour/article/view/271

Методами колебательной (ИК-Фурье, КР) и ЯМР спектроскопии измерены характеристики молекулы глимепирида. Структура молекулы глимепирида, ее колебательные частоты и изотропные химические сдвиги ЯМР1Н и13С рассчитаны методом функционала плотности DFT/B3LYP с базисным набором 6-311++G(d,p). Полученные результаты согласуются с измеренными данными и результатами других авторов.

The glimepiride molecule was experimentally characterized using vibrational (FT-IR and laser-Raman) and NMR chemical shift spectroscopy. The molecule optimized structure, vibrational wavenumbers, and1H and13C NMR isotropic chemical shifts were theoretically obtained with the DFT/B3LYP method at a 6-311++G(d,p) basis set. The theoretical geometric parameters, vibrational wavenumbers, and NMR cheical shifts were found to be consistent with experimental data and similar spectral results in the literature.

глимепиридколебательный спектрхимические сдвиги1Н и13С ЯМРметод DFT/B3LYP/6-311++G(dp)glimepiridevibrational spectrum1H and13C NMR chemical shiftsDFT/B3LYP/6-311++G(dp) levelReferencesTürkiye Endokrinoloji ve Metabolizma Derneği. Diabetes Mellitus ve Komplikasyonlarının Tanı, Tedavive İzlem Kılavuzu, BAYT Bilimsel Araştırmalar Basın Yayınve Tanıtım Ltd. Şti, Miki Matbaacılık San. ve Tic. Ltd. Şti (2014).Türkiye Endokrinoloji ve Metabolizma Derneği. Diabetes Mellitus ve Komplikasyonlarının Tanı, Tedavive İzlem Kılavuzu, BAYT Bilimsel Araştırmalar Basın Yayınve Tanıtım Ltd. Şti, Miki Matbaacılık San. ve Tic. Ltd. Şti (2014).American Diabetes Association. Diabetes Care, 33, 62 (2010).American Diabetes Association. Diabetes Care, 33, 62 (2010).Expert Committee on the Diagnosis and Classification of Diabetes Mellitus Diabetes Care, 20, 1183 (1997).Expert Committee on the Diagnosis and Classification of Diabetes Mellitus Diabetes Care, 20, 1183 (1997).P. R. Njolstad, J. V. Sagen, L. Bjorkhaug, S. Odili, N. Shehadeh, D. Bakry, U. Sarici, F. Alpay, J. Molnes, A. Molven, O. Sovik, F. M. Matschinsky, Diabetes, 52, 11, 2854 (2003).P. R. Njolstad, J. V. Sagen, L. Bjorkhaug, S. Odili, N. Shehadeh, D. Bakry, U. Sarici, F. Alpay, J. Molnes, A. Molven, O. Sovik, F. M. Matschinsky, Diabetes, 52, 11, 2854 (2003).P. Odetti, S. Garibaldi, G. Noberasco, I. Aragno, S. Valentini, N. Traverso, U. M. Marinari, Acta Diabetol., 36, 4, 179 (1999).P. Odetti, S. Garibaldi, G. Noberasco, I. Aragno, S. Valentini, N. Traverso, U. M. Marinari, Acta Diabetol., 36, 4, 179 (1999).U. Çakatay, Diabetes and Metabolism, 31, 6, 551 (2005).U. Çakatay, Diabetes and Metabolism, 31, 6, 551 (2005).T. Hamaguchi, T. Hirose, H. Asakawa, Y. Itoh, K. Kamado, K. Tokunaga, K. Tomita, H. Masuda, N. Watanabe, M. Namba, Diabetes Res. Clin. Pract., 66, 129 (2004).T. Hamaguchi, T. Hirose, H. Asakawa, Y. Itoh, K. Kamado, K. Tokunaga, K. Tomita, H. Masuda, N. Watanabe, M. Namba, Diabetes Res. Clin. Pract., 66, 129 (2004).A. Brayfield, Martindale: The Complete Drug Reference, 35 ed., CD ROM, The Pharmaceutical Press, London (2007).A. Brayfield, Martindale: The Complete Drug Reference, 35 ed., CD ROM, The Pharmaceutical Press, London (2007).http://www.sanofi-aventis, ca/products/en/amaryl.pdf (accessed 10.09.09).http://www.sanofi-aventis, ca/products/en/amaryl.pdf (accessed 10.09.09).S. N. Davis, J. Diabetes Complicat., 18, No. 6, 367 (2004).S. N. Davis, J. Diabetes Complicat., 18, No. 6, 367 (2004).T. G. Skillman, J. M. Feldman, Am. J. Med., 70, 361 (1981).T. G. Skillman, J. M. Feldman, Am. J. Med., 70, 361 (1981).H. E. Lebovitz, M. N. Feinglos, Diabetes Care, 1, 189 (1978).H. E. Lebovitz, M. N. Feinglos, Diabetes Care, 1, 189 (1978).G. Arumugam, P. Manjula, N. Paari, J. Acute Disease, 3, No. 2, 196 (2013).G. Arumugam, P. Manjula, N. Paari, J. Acute Disease, 3, No. 2, 196 (2013).M. Remko, J. Mol. Struct. Theochem., 897, 73 (2009).M. Remko, J. Mol. Struct. Theochem., 897, 73 (2009).M. Karakaya, M. Kurekci, B. Eskiyurt, Y. Sert, C. Cırak, Spectrochim. Acta, A, 135, 137 (2015).M. Karakaya, M. Kurekci, B. Eskiyurt, Y. Sert, C. Cırak, Spectrochim. Acta, A, 135, 137 (2015).M. Iwata, H. Nagase, T. Endo, H. Ueda, Acta Crystallogr., C53, 329 (1997).M. Iwata, H. Nagase, T. Endo, H. Ueda, Acta Crystallogr., C53, 329 (1997).L. A. D. Maria Lestari, G. Indrayanto, Profiles of Drug Substances, Excipients, and Related Methodology, 36, 1871 (2011).L. A. D. Maria Lestari, G. Indrayanto, Profiles of Drug Substances, Excipients, and Related Methodology, 36, 1871 (2011).M. J. O’Neil, The Merck Index, Merck & Co., Inc., New Jersey (2001).M. J. O’Neil, The Merck Index, Merck & Co., Inc., New Jersey (2001).M. Karakaya, Y. Sert, M. Kürekçi, B.Eskiyurt, Ç. Çırak, J. Mol. Struct., 87, 1095 (2015).M. Karakaya, Y. Sert, M. Kürekçi, B.Eskiyurt, Ç. Çırak, J. Mol. Struct., 87, 1095 (2015).R. Anitha, M. Gunasekaran, S. Suresh Kumar, S. Athimoolam, B. Sridhar, Spectrochim. Acta, A, 150, 488 (2015).R. Anitha, M. Gunasekaran, S. Suresh Kumar, S. Athimoolam, B. Sridhar, Spectrochim. Acta, A, 150, 488 (2015).Y. Sert, B. Miroslaw, Ç. Çırak, H. Doğan, D. Szulczyk, M. Struga, Spectrochim. Acta A, 128, 91 (2014).Y. Sert, B. Miroslaw, Ç. Çırak, H. Doğan, D. Szulczyk, M. Struga, Spectrochim. Acta A, 128, 91 (2014).F. A. M. Al-Omary, M. Karakaya, Y. Sert, N. G.Haress, A. A. El-Emam, Ç. Çırak, J. Mol. Struct., 1076, 664 (2014).F. A. M. Al-Omary, M. Karakaya, Y. Sert, N. G.Haress, A. A. El-Emam, Ç. Çırak, J. Mol. Struct., 1076, 664 (2014).E. Taşal, M. Kumalar, Spectrochim. Acta A, 95, 282 (2012).E. Taşal, M. Kumalar, Spectrochim. Acta A, 95, 282 (2012).R. Brause, H. Fricke, M. Gerhards, R. Weinkauf, K. Kleinermanns, Chem. Phys., 43, 327 (2006).R. Brause, H. Fricke, M. Gerhards, R. Weinkauf, K. Kleinermanns, Chem. Phys., 43, 327 (2006).S. Murugavel, C. S. Jacob, P. Stephen, R. Subashini, H. R. Reddy, D. Krishnan, J. Mol. Struct., 134, 1122 (2016).S. Murugavel, C. S. Jacob, P. Stephen, R. Subashini, H. R. Reddy, D. Krishnan, J. Mol. Struct., 134, 1122 (2016).A. Barakat, S. M. Soliman. A. M. Al-Majid, G. Lotfy, H. A. Ghabbour, H. K. Fun, S. Yousuf, M. I. Choudhary, A. Wadood, J. Mol. Struct., 365, 1098 (2015).A. Barakat, S. M. Soliman. A. M. Al-Majid, G. Lotfy, H. A. Ghabbour, H. K. Fun, S. Yousuf, M. I. Choudhary, A. Wadood, J. Mol. Struct., 365, 1098 (2015).H. Gökçe, N. Öztürk, Ü. Ceylan, Y. Alpaslan, B. Alpaslan, Spectrochim. Acta, A, 163, 170 (2016).H. Gökçe, N. Öztürk, Ü. Ceylan, Y. Alpaslan, B. Alpaslan, Spectrochim. Acta, A, 163, 170 (2016).A. D. Becke, J. Chem. Phys., 98, 5648 (1993).A. D. Becke, J. Chem. Phys., 98, 5648 (1993).C. Lee, W. Yang, R. G. Parr, Phys. Rev. B, 37, 785 (1988).C. Lee, W. Yang, R. G. Parr, Phys. Rev. B, 37, 785 (1988).A. Frish, A. B. Nielsen, A. J. Holder, Gauss View User Manual, Gaussian Inc., Pittsburg, PA (2001). 517-12A. Frish, A. B. Nielsen, A. J. Holder, Gauss View User Manual, Gaussian Inc., Pittsburg, PA (2001). 517-12Gaussian 09, Revision, A.1, Gaussian Inc., Wallingford CT (2009).Gaussian 09, Revision, A.1, Gaussian Inc., Wallingford CT (2009).http://www.gaussian.com/g_prod/gv5.htm (accessed 10.08.2016).http://www.gaussian.com/g_prod/gv5.htm (accessed 10.08.2016).Y. B. S. Rao, M. V. S. Prasad, N. U. Sri, V. Veeraiah, J. Mol. Struct., 567, 1108 (2016).Y. B. S. Rao, M. V. S. Prasad, N. U. Sri, V. Veeraiah, J. Mol. Struct., 567, 1108 (2016).G. Keresztury, S. Holly, J. Varga, G. Besenyei, A. Y. Wang, J. R. Durig, Spectrochim. Acta, A, 49, 2007(1993).G. Keresztury, S. Holly, J. Varga, G. Besenyei, A. Y. Wang, J. R. Durig, Spectrochim. Acta, A, 49, 2007(1993).G. Keresztury, In: Raman Spectroscopy: Theory in Handbook of Vibrational Spectroscopy, Eds. J. M. Chalmers, P. R. Griffith, John Wiley&Sons Ltd., New York (2002).G. Keresztury, In: Raman Spectroscopy: Theory in Handbook of Vibrational Spectroscopy, Eds. J. M. Chalmers, P. R. Griffith, John Wiley&Sons Ltd., New York (2002).J. Chocholousova, V. V. Spirko, P. Hobza, Chem. Phys., 6, 37 (2004).J. Chocholousova, V. V. Spirko, P. Hobza, Chem. Phys., 6, 37 (2004).N. Sundaaraganesan, S. Ilakiamani, H. Saleem, P. M. Wojciechowski, D. Michalska, Spectrochim. Acta, A, 61, 2995 (2005).N. Sundaaraganesan, S. Ilakiamani, H. Saleem, P. M. Wojciechowski, D. Michalska, Spectrochim. Acta, A, 61, 2995 (2005).N. B. Colthup, L. H. Daly, E. Wiberley, Introduction to Infrared and Raman Spectroscopy, Academic Press, New York (1964).N. B. Colthup, L. H. Daly, E. Wiberley, Introduction to Infrared and Raman Spectroscopy, Academic Press, New York (1964).L. J. Bellamy, The Infrared Spectra of Complex Molecules, 3rd ed., Willey, New York (1975).L. J. Bellamy, The Infrared Spectra of Complex Molecules, 3rd ed., Willey, New York (1975).R. M. Silverstein, F. X. Webster, Spectroscopic Identification of Organic Compound, Willey, New York (1998).R. M. Silverstein, F. X. Webster, Spectroscopic Identification of Organic Compound, Willey, New York (1998).J. B. Lambert, H. F. Shurvell, R. G. Cooks, Introduction to Organic Spectroscopy, Macmillan, New York (1987).J. B. Lambert, H. F. Shurvell, R. G. Cooks, Introduction to Organic Spectroscopy, Macmillan, New York (1987).B. H. Stuart, Infrared Spectroscopy: Fundamentals and Applications, Willey, New York (2004).B. H. Stuart, Infrared Spectroscopy: Fundamentals and Applications, Willey, New York (2004).M. Barthes, G. De Nunzio, G. Riber, Synth. Methods, 76, 337 (1996).M. Barthes, G. De Nunzio, G. Riber, Synth. Methods, 76, 337 (1996).S. Gunasekaran, P. Arunbalaji, S. Seshadri, S. Muthu, Indian J. Pure Appl. Phys., 46, 162 (2008).S. Gunasekaran, P. Arunbalaji, S. Seshadri, S. Muthu, Indian J. Pure Appl. Phys., 46, 162 (2008).G. Varsanyi, S. Szoke, Vibrational Spectra of Benzene Derivatives, Academic Press, New York (1969).G. Varsanyi, S. Szoke, Vibrational Spectra of Benzene Derivatives, Academic Press, New York (1969).N. P. G. Roeges, A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures, Willey, New York (1994).N. P. G. Roeges, A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures, Willey, New York (1994).K. R. Ambujakshan, V. S. Madhavan, H. T.Varghese, C. Y. Panicker, O. Temizarpaci, B. Tekiner-Gulbas, I. Yildiz, Spectrochim. Acta, A, 69, 782 (2008).K. R. Ambujakshan, V. S. Madhavan, H. T.Varghese, C. Y. Panicker, O. Temizarpaci, B. Tekiner-Gulbas, I. Yildiz, Spectrochim. Acta, A, 69, 782 (2008).G. Varsanyi, Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives, Vol. I, II, Academic Kiado, Budapest (1973).G. Varsanyi, Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives, Vol. I, II, Academic Kiado, Budapest (1973).B. Smith, Infrared Spectral Interpretation - A Systematic Way, CRC Press, New York (1999).B. Smith, Infrared Spectral Interpretation - A Systematic Way, CRC Press, New York (1999).J. Swaminathan, M. Ramalingam, V. Sethuraman, N. Sundaraganesan, S. Sebastain, Spectrochim. Acta A, 73, 593 (2009).J. Swaminathan, M. Ramalingam, V. Sethuraman, N. Sundaraganesan, S. Sebastain, Spectrochim. Acta A, 73, 593 (2009).G. Socrates, Infrared Characteristic Group Frequencies, Willey, New York (1981).G. Socrates, Infrared Characteristic Group Frequencies, Willey, New York (1981).M. S. Alam, D.-U. Lee, J. Mol. Struct., 174, 1128 (2017).M. S. Alam, D.-U. Lee, J. Mol. Struct., 174, 1128 (2017).

The authors declare that there are no conflicts of interest present.