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Inne
Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations
Autorzy
Rok wydania
2015
Czasopismo
Journal of Physical Chemistry B
Numer woluminu
119
Strony
10496-10510
DOI
10.1021/acs.jpcb.5b05768
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The conformers of α-serine were investigated by matrix-isolation IR spectroscopy combined with NIR laser irradiation. This method, aided by 2D correlation analysis, enabled unambiguously grouping the spectral lines to individual conformers. On the basis of comparison of at least nine experimentally observed vibrational transitions of each conformer with empirically scaled (SQM) and anharmonic (GVPT2) computed IR spectra, six conformers were identified. In addition, the presence of at least one more conformer in Ar matrix was proved, and a short-lived conformer with a half-life of (3.7 ± 0.5) × 103 s in N2 matrix was generated by NIR irradiation. The analysis of the NIR laser-induced conversions revealed that the excitation of the stretching overtone of both the side chain and the carboxylic OH groups can effectively promote conformational changes, but remarkably different paths were observed for the two kinds of excitations.
Słowa kluczowe
Irradiation, Mathematical methods, Molecular structure, Monomers, Peptides and proteins
Adres publiczny
http://dx.doi.org/10.1021/acs.jpcb.5b05768
Strona internetowa wydawcy
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