Hydration profiles of aromatic amino acids : conformations and vibrations of L-phenylalanine–(H2O)n clusters
Physical Chemistry Chemical Physics Volume 8 Issue 41
Page 4783-4791
published_at 2006-09-14
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| File | |
| Title ( eng ) |
Hydration profiles of aromatic amino acids : conformations and vibrations of L-phenylalanine–(H2O)n clusters
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| Creator |
Hashimoto Takayo
Ito Takafumi
Altunsu Fuat
Brutschy Bernhard
Tarakeshwar P.
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| Source Title |
Physical Chemistry Chemical Physics
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| Volume | 8 |
| Issue | 41 |
| Start Page | 4783 |
| End Page | 4791 |
| Abstract |
IR-UV double resonance spectroscopy and ab initio calculations were employed to investigate the structures and vibrations of the aromatic amino acid, L-phenylalanine–(H2O)n clusters formed in a supersonic free jet. Our results indicate that up to three water molecules are preferentially bound to both the carbonyl oxygen and the carboxyl hydrogen of L-phenylalanine (L-Phe) in a bridged hydrogen-bonded conformation. As the number of water molecules is increased, the bridge becomes longer. Two isomers are found for L-Phe–(H2O)1, and both of them form a cyclic hydrogen-bond between the carboxyl group and the water molecule. In L-Phe–(H2O)2, only one isomer was identified, in which two water molecules form extended cyclic hydrogen bonds with the carboxyl group. In the calculated structure of L-Phe–(H2O)3 the bridge of water molecules becomes larger and exhibits an extended hydrogen-bond to the π-system. Finally, in isolated L-Phe, the D conformer was found to be the most stable conformer by the experiment and by the ab initio calculation.
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| Keywords |
L-Phenylalanine
Supersonic jet
hydrated clusters
IR-UV double resonance spectroscopy
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| Descriptions |
The authors would like to acknowledge the support from the Grant-in-Aids for Scientific Research (18205003) by the Ministry of Education, Science, Sports, and Culture, Japan and from the French-German CNRS-DFG binational project. T. E. gratefully acknowledges financial support from Satake foundation.
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| NDC |
Chemistry [ 430 ]
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| Language |
eng
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| Resource Type | journal article |
| Publisher |
Royal Society of Chemistry
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| Date of Issued | 2006-09-14 |
| Rights |
Copyright (c) the Owner Societies 2006
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| Publish Type | Author’s Original |
| Access Rights | open access |
| Source Identifier |
[DOI] 10.1039/B609229B
[DOI] http://dx.doi.org/10.1039/B609229B
isVersionOf
[ISSN] 1463-9076
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