Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of l-Asparagine Monohydrate by Density Functional Theory approach

Raman study of L-Asparagine and L-Glutamine molecules adsorbed on aluminum films in a wide frequency range

“…They are specific for each type of molecules. The Raman bands of amino acids within the lattice vibrational range below 150 cm -1 arise as a result of the rotational and translational vibrations of the molecules or their parts in crystal, however Pawlukojc et al [9] assigned the L-Glutamine bands detected within this range as torsion vibrations of CO 2 -unit and molecule backbone. Different types of intermolecular interactions caused by the forces between hydrocarbon molecules are generally weak, and therefore do not contribute significantly to the spectrum.…”

“…From 700 to 1400 cm -1 , there is a range of stretching and bending vibrations of C-C bonds as well as out-of plane deformation ones related to NH 2 The range 1050-1100 cm -1 contains C-C stretching modes of Glutamine backbone, which are absent in Asparagine. The characteristic Amide III features of Asparagine and Glutamine were identified at 1075 and 1098 cm -1 , respectively.…”

“…These are amino acids with polar neutral charged groups and are the single ones that contain carboxamide functional group, which plays a significant role in formation of Van der Waals interactions and hydrogen bonds. Asparagine is necessary for functioning of the brain and plays an important role in formation and functioning of proteins [2]. Glutamine, unlike to Asparagine, is conditionally essential amino acid and plays a more significant role in synthesis of lipids, regulation of kidneys functionality, purines synthesis and safe circulation of ammonia in a human circulatory system [3].…”

“…The polarized Raman spectra from the microcrystalline powder of L-glutamine were used to general assignment of the vibrational fundamentals on the basis of the intensity changes observed in some vibrational bands [3]. There are few works published in the journals concerning investigation of fundamental vibrations and molecular structure properties of Asparagine in the solid state [2,5,[9][10][11][12]. It should also be noted that the vibrational spectra of amino acids obtained by different research groups, perhaps measured under slightly different conditions, might be quite dissimilar.…”

Real Time Monitoring the Maillard Reaction Intermediates by HPLC- FTIR

“…Although the data in our manuscript only covered qualitative analysis a more detailed quantitative analysis in terms of monitoring the conversion percentage is necessary. These experiments are in progress in our lab [31][32][33][34][35][36][37][38][39][40][41].…”