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Application of FTIR spectroscopy and molecular modeling in studing of chemical change during the process of extrusion

Food extrusion has been practiced for over 50 years and extension of its applications occured followed requirements: processing of relatively dry viscous materials, improved textural and flavour characteristics of food, control of the thermal changes of food constituentes and use of unconventional ingredientes. The food extruder is a high temperature short time bioreactor that transforms a variety of raw ingredientes into modificed intermediate and finished products. Several investigations have shown that hight temperature and pressure may cause physical and chemical changes in the structure of biopolymers. The concequences of these modifications are the changes in nutritional value and functionality (viscosity, solubility) of food ingredientes. Thus, the our investigations was considered on the chemical changes after the process of extrusion. To follow these changes, we were using theoretical quantum mechanical methods (ab initio ; HF/6-31-G* and semiempirical, Am1) applying Spartam and Gaussian 94 computer programs. In the same time we were analysed real samples by FTIR spectroscopy, which has proven useful in study of chemical changes, comparing with the theoretical calculations.

extrusion; isopeptide bond; molecular modeling; FTIR spectroscopy

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