To
study the chemical structures and physical properties of this kind of
carbohydrates, various methods including vibrational spectroscopy have been
used for which a full and reliable
interpretation of the observed spectra requires a theoretical analysis. In this
field, a number of theoretical works have been devoted to the calculation of normal
modes of vibrations of monosacharides like fucose, fructose or
methyl-galactopyranoside and disaccharides like turanose and melibiose. Read more>>>>>>>>>>>>>
In
recent years, certain advances have been made in developing software for
modeling IR spectra of compounds with the use of the structure-property
database. In this work, the object under study is lactose; this latter occupies
a position in sugar metabolic bio processus. To study the chemical structures
and physical properties of this kind of carbohydrates, various methods
including vibrational spectroscopy have been used for which a full and reliable interpretation
of the observed spectra requires a theoretical analysis.
In
this field, a number of theoretical works have been devoted to the calculation
of normal modes of vibrations of monosacharides like fucose, fructose or
methyl-galactopyranoside[2and disaccharides like turanose and melibiose. To complete
the series of papers dealing with normal mode analyses of disaccharides in
their crystalline environment, we have chosen to study a lactose molecule, the
last is constituted by aα-(D)glucopyranose linked to β-(D) galactopyranose
units. Besides vibrational data reproduction, theoretical calculations also
provide an approach to the bands assignments. Read more>>>>>>>>>>>
