COMPUTER MODELLING OF CHITOSAN DERIVATIVES

Polyaminosaccharides especially chitosan (CS) (C6H11O4N)n is an N-deacetylation product of chitin which is widely found in nature. CS is insoluble in water and most organic solvents which seriously limits both its application scope and applicable fields. However CS contains active functional groups that are liable to chemical reactions; thus CS derivatives can be obtained through the chemical modification of CS. The modification of CS has been an important aspect of CS research showing better solubility pH-sensitive targeting an increased number of delivery systems etc. Computational research effectively helps to understand the nature of interactions between molecules substances nanosized structures and polymers and it is less time-consuming and considerably less expensive than experimental analyses. This book summarizes some results of modeling the structure and properties of CS and its derivatives. The book is intended for experimenters students researchers in the field of polysaccharides in particular chitosan specialists specializing in the field of physical chemistry and technology of polymers and polymeric materials.