Molecular modeling and computational study of the chiral-dependent structures and properties of the self-assembling diphenylalanine peptide nanotubes, containing water molecules
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04564-5
Abstract: DFT (VASP) and semi-empirical (HyperChem) calculations for the l- and d-chiral diphenylalanine (l-FF and d-FF) nanotube (PNT) structures, empty and filled with water/ice clusters, are presented and analyzed. The results obtained show that after optimization,… read more here.
Keywords: water ice; molecular modeling; water; diphenylalanine ... See more keywords
High-temperature Raman spectroscopy of L,L-diphenylalanine single-crystal
Sign Up to like & getrecommendations! Published in 2018 at "Vibrational Spectroscopy"
DOI: 10.1016/j.vibspec.2018.06.001
Abstract: Abstract The crystal structure of L,L-diphenylalanine (C 18 H 20 N 2 O 3 ⋅xH 2 O) is investigated by polarized Raman spectroscopy at temperatures from 303 to 443 K over the spectral range 35–3300 cm −1… read more here.
Keywords: high temperature; diphenylalanine; temperature raman; spectroscopy ... See more keywords