Phase-transition of hydrophobic dipeptide l-phenylalanyl-l-alanine under high pressure via Raman spectroscopy

[Display omitted] •Dipeptide with tubular structure.•Hydrophobic dipeptide material under high pressure.•Raman Spectroscopy of Phe-Ala dehydrated.•Phase-transitions of Phe-Ala dehydrated. The study conducted on l-Phenylalanyl-l-Alanine (C12H16N2O3) dehydrated crystals under high-pressure conditions...

Full description

Saved in:

Bibliographic Details
Published in:	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Vol. 326; p. 125290
Main Authors:	Cordeiro, Adrya J.P., Alves, Kelly C., Mota, Elder A.V., Vasconcelos, Daniel L.M., Lima, Raphaela A., da Silva, José A.S., Freire, Paulo T.C.
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 05-02-2025
Subjects:	High pressure Hydrophobic dipeptide l-Phenylalanyl-l-Alanine Raman Spectroscopy Raman Spectroscopy l-Phenylalanyl-l-Alanine Hydrophobic dipeptide High pressure
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!

Description
Summary:	[Display omitted] •Dipeptide with tubular structure.•Hydrophobic dipeptide material under high pressure.•Raman Spectroscopy of Phe-Ala dehydrated.•Phase-transitions of Phe-Ala dehydrated. The study conducted on l-Phenylalanyl-l-Alanine (C12H16N2O3) dehydrated crystals under high-pressure conditions up to 7.0 GPa using Raman spectroscopy revealed significant modifications in both lattice and internal modes. Particularly, alterations were observed in modes associated with carbonyl and NH2 functionalities around 1600 cm−1. The Raman spectra exhibited distinct changes in modes related to torsions and stretching of the ring, suggesting a potential conformational change in specific pressure intervals: 2.6–3.0 GPa, and 5.0–5.1 GPa. Furthermore, notable changes between 0.4 and 1.0 GPa hinted at a structural transformation in the crystal. Additionally, Scanning Electron Microscopy-Field Emission Gun (SEM-FEG) was employed to elucidate the crystal pattern of Phe-Ala·2H2O. The ambient study, incorporating calculations, infrared, and Raman spectroscopy, contributed to a comprehensive understanding of vibrational mode assignments. This research sheds light on the behavior of l-Phenylalanyl-l-Alanine dehydrated crystals under varying pressure conditions, offering valuable insights for medicinal and pharmacological applications.
ISSN:	1386-1425
DOI:	10.1016/j.saa.2024.125290