2011
Volume 11, Number 2, pp. 60–62
Theoretical investigation of the isomerization of glucose into fructose within the scope of mathematical and quantum chemistry
K.T. Kupatadze,a R.A. Gakhokidze,b J.A. Kereselidzeb and M.I. Gverdtsitelib
a Faculty of Science and Art, Ilia State University, Cholokashvili Ave 3/5, 0162 Tbilisi, Georgia
b Department of Exact and Natural Sciences, Ivane Javakhishvili Tbilisi State University, I. Chavchavadze Ave 3, 0128 Tbilisi, Georgia
The isomerization of glucose into fructose (Lobry de Bruyne–van Ekenstein’s rearrangment) has been investigated within the scope of mathematical chemistry (quasi-ANB matrices method and Shannon’s modernized information entropy method) and quantum chemistry (the DFT method). Some peculiarities of this rearrangement are ascertained.
Keywords: DFT method, fructose, glucose, isomerization, quasi-ANB matrices method, Shannon’s informational entropy method