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Journal of Spectroscopy
Volume 2013 (2013), Article ID 841409, 11 pages
http://dx.doi.org/10.1155/2013/841409
Research Article

Inclusion Complexes of Sunscreen Agents with β-Cyclodextrin: Spectroscopic and Molecular Modeling Studies

1Department of Chemistry, College of Science, United Arab Emirates University, P.O. Box 15551, Al Ain, Abu Dhabi, UAE
2Department of Applied Chemical Sciences, Jordan University of Science and Technology, P.O. Box 3030, Irbid 22110, Jordan
3Alfa Chemical Manufacturing Co., P.O. Box 1880, Amman 11118, Jordan

Received 21 January 2013; Revised 1 April 2013; Accepted 12 April 2013

Academic Editor: Alaa Eldin Salem

Copyright © 2013 Nathir A. F. Al-Rawashdeh 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.

Abstract

The inclusion complexes of selected sunscreen agents, namely, oxybenzone (Oxy), octocrylene (Oct), and ethylhexyl-methoxycinnamate (Cin) with β-cyclodextrin (β-CD) were studied by UV-Vis spectroscopy, differential scanning calorimetry (DSC), 13C NMR techniques, and molecular mechanics (MM) calculations and modeling. Molecular modeling (MM) study of the entire process of the formation of 1 : 1 stoichiometry sunscreen agent/β-cyclodextrin structures has been used to contribute to the understanding and rationalization of the experimental results. Molecular mechanics calculations, together with 13C NMR measurements, for the complex with β-CD have been used to describe details of the structural, energetic, and dynamic features of host-guest complex. Accurate structures of CD inclusion complexes have been derived from molecular mechanics (MM) calculations and modeling. The photodegradation reaction of the sunscreen agents' molecules in lotion was explored using UV-Vis spectroscopy. It has been demonstrated that the photostability of these selected sunscreen agents has been enhanced upon forming inclusion complexes with β-CD in lotion. The results of this study demonstrate that β-CD can be utilized as photostabilizer additive for enhancing the photostability of the selected sunscreen agents' molecules.