www.derpharmachemica.com t Available online a Scholars Research Library Der Pharma Chemica, 2015, 7(10):357-361 (http://derpharmachemica.com/archive.html) ISSN 0975-413X CODEN (USA): PCHHAX 357 www.scholarsresearchlibrary.com Chitosan membrane as an oil carrier: Spectroscopic and modeling analyses Diaa Atta, Ahmed Fakhry and Medhat Ibrahim* Spectroscopy Department, National Research Center, 33 El-Bohouth St. 12311 Dokki, Giza, Egypt _____________________________________________________________________________________________ ABSTRACT Chitosan is loaded with olive oil and then subjected to Fourier transform infrared spectroscopic study. FTIR spectra of chitosan as well as the loaded chitosan show that olive oil is weakly bonded with chitosan. Both spectra are nearly identical which could be an indication that, chitosan is an ideal structure for loading olive oil. Molecular modeling at B3LYP/6-31g(d,p) level of theory is utilized to investigate the physical as well as electronic differences between chitosan and oil loaded chitosan. Glycine is chosen as a model molecule for olive oil. Calculated total dipole moment indicates that; chitosan became highly interacting with its surrounding as far as olive oil loading is concerned. It indicates that, olive oil/chitosan interaction requires only -0.1372 au, meaning that, small amount of energy is needed for such interaction, which confirms the FTIR and the model molecule results that such interaction is weak. Keywords: Chitosan, Olive oil, Glycine, FTIR and B3LYP/6-31g(d,p). _____________________________________________________________________________________________ INTRODUCTION Natural-polymer in the form of films shows extensive applications as alternatives to plastic packaging owing to their biodegradability and biocompatibility [1]. Furthermore, these films may be used as carriers for many additives, such as antioxidants and antimicrobials agents. Accordingly, extensive research works are directed to maintain food quality, minimize the growth of undesirable microorganisms on the surface of food and provide extra protection against oxidative agents by utilizing such films with additives in the so called “active packaging [2-4]. Chitosan is one of the most famous natural polymers which are derived after the deacetylation of chitin. It is dedicated for many applications as it is well known as non-toxic, biodegradable and biocompatible polymer [5]. It is well known with its antimicrobial activity [6-7]. It is stated that, chitosan could be effectively utilized for the delivery and encapsulation of drugs, vitamins, proteins, genes, nutrients, essential oils and phenolic compounds [8-9]. Carumcopticum essential oil (CEO) was successfully encapsulated in nano chitosan using emulsion-ionic gelatin with two cross linkers namely TPP and HMP [10].Chitosan as well as other natural polymers was subjected to FTIR and molecular modeling studies in order to elucidate their molecular structure [11], and their interaction with biological molecules in order to investigate their functionalities [12-15]. Based upon these considerations this study is conducted for carrying on olive oil upon chitosan membrane. FTIR and molecular modeling at B3LYP/6-31g(d,p) are utilized to understand the mechanism of interaction between olive oil and chitosan surface.