Structures of the protected amino acid Ac–Phe–OMe and its dimer: A β-sheet model system in the gas phase

Literature Information

Publication Date 2002-04-03
DOI 10.1039/B110029G
Impact Factor 3.676
Authors

M. Gerhards, C. Unterberg


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Abstract

We report on the structure of phenylalanine which is protected at the terminal positions by introducing an acetyl and a methyl group (Ac–Phe–OMe). The structures of Ac–Phe–OMe and its dimer are investigated by applying resonant 2-photon ionization (R2PI) and IR/R2PI spectroscopy as well as Hartree-Fock and density functional theory (DFT) calculations. In contrast to the R2PI spectrum of unprotected phenylalanine the spectrum of Ac–Phe–OMe exhibits only one prominent isomer. The geometry of this isomer can be correlated with a β-sheet related structure. In the case of (Ac–Phe–OMe)2 only hydrogen-bonded NH groups are observed, indicating a dimer which can easily be formed by two monomers building a β-sheet model system. This is the first observation of such a model system in the gas phase.

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Contents list

Front/Back Matter

DOI: 10.1039/C3GC90024J

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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