engleski

Molecular modeling in prediction of formations of nondisulfide bonds – imides and amide types

This research is directly relates on chemical and structural changes in wheat proteins during the extrusion cooking that may affect on the texture of wheat based products. The disruption of proteins structures under extreme conditions of temperature and pressure in extruder, may influence on formation of nondisulfide covalent bonds betweens amino acids. One possibility for texture promoting cross linking reactions are the imides and amides linkages which we were studied, applying methods of quantum mechanical calculations (semiempirical AM1 and ab initio, HF and DFT methods). The results have shown that applying moleculars models can be used successfully in interpretations of properties of analysed amonoacids and dipeptides which are formed by reactions of nondisulfide covalent crosslinking during extrusion cooking.

extrusion; molecular modeling; nondisulfide covalent bond; imide and amide bond

nije evidentirano