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- W2014161573 abstract "Abstract The hydrogensquarates of alanyl-containing dipeptides glycylalanine ( H-Gly-Ala-OH ) and alanylalanine ( H-Ala-Ala-OH ) are characterized structurally by means of quantum chemical ab initio calculations, solid-state linear-dichroic infrared (IR-LD) spectroscopy, 1 H and 13 C NMR data, ESI-MS, HPLC-MS/MS, TGV and DSC methods. The structures consist in positive charged peptide moiety and negative hydrogensquarate anion (HSq − ), stabilizing by strong intermolecular hydrogen bonds. The theoretical and IR-LD spectroscopic data are compared with corresponding ones of zwitterion dipeptides with a view to understanding the structural and conformational changes as well as the IR-spectroscopic ones as a result of hydrogensquarates formation. The strong overlapped and complicated IR-spectroscopic bands typical for hydrogensquarates in solid-state are assigned supporting with the presented vibrational analysis of the dipeptides and of the hydrogensqauarate anion." @default.
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- W2014161573 date "2008-04-01" @default.
- W2014161573 modified "2023-09-26" @default.
- W2014161573 title "Spectroscopic and structural elucidation of alanyl-containing dipeptides and their hydrogensquarates" @default.
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- W2014161573 doi "https://doi.org/10.1016/j.molstruc.2007.07.017" @default.
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