Spectral and theoretical study on complexation of sulfamethoxazole with β- and HPβ-cyclodextrins in binary and ternary systems.

Autor: Varghese B; Department of Chemistry, College of Science, Sultan Qaboos University, Box 36, Al-khod 123, Oman., Suliman FO; Department of Chemistry, College of Science, Sultan Qaboos University, Box 36, Al-khod 123, Oman. Electronic address: fsuliman@squ.edu.om., Al-Hajri A; Department of Chemistry, College of Science, Sultan Qaboos University, Box 36, Al-khod 123, Oman., Al Bishri NSS; Department of Chemistry, College of Science, Sultan Qaboos University, Box 36, Al-khod 123, Oman., Al-Rwashda N; Department of Applied Chemical Sciences, Jordan University of Science & Technology, P. O. Box 3030, Irbid 22110, Jordan. Electronic address: nathir@just.edu.jo.
Jazyk: angličtina
Zdroj: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2018 Feb 05; Vol. 190, pp. 392-401. Date of Electronic Publication: 2017 Sep 21.
DOI: 10.1016/j.saa.2017.09.060
Abstrakt: The inclusion complexes of sulfamethoxazole (SMX) with β-cyclodextrin (βCD) and (2-hydroxypropyl) β-cyclodextrin (HPβCD) were prepared. Fluorescence spectroscopy and electrospray mass spectrometry, ESI-MS, were used to investigate and characterize the inclusion complexation of SMX with cyclodextrins in solutions. Whereas in the solid state the complexes were characterized by Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction (PXRD) and Raman techniques. Enhanced twisted intramolecular charge transfer (TICT), emission as well as local excited (LE) bands were observed upon addition of HPβCD indicate that SMX enters deeper into the cyclodextrins cavity. The stoichiometries and association constants of these complexes have been determined by monitoring the fluorescence data. The effect of presence of ternary components like arginine and cysteine on the complexation efficiency of SMX with cyclodextrins was investigated. Molecular Dynamic simulations were also performed to shed an atomistic insight into the complexation mechanism. The results obtained showed that complexes of SMX with both cyclodextrins are stabilized in aqueous media by strong hydrogen bonding interactions.
(Copyright © 2017 Elsevier B.V. All rights reserved.)
Databáze: MEDLINE
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