Alanine water complexes

Vanesa Vaquero; Maria Eugenia Sanz; Santiago Mata; Isabel Peña; Carlos Cabezas; Juan C López; José L Alonso

doi:10.1021/jp500862y

Alanine water complexes

Vanesa Vaquero, Maria Eugenia Sanz, Santiago Mata, Isabel Peña, Carlos Cabezas, Juan C López, José L Alonso

Chemistry

Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Universidad de Valladolid , 47005 Valladolid, Spain.

Research output: Contribution to journal › Article › peer-review

21 Citations (Scopus)

Abstract

Two complexes of alanine with water, alanine-(H2O)n (n = 1,2), have been generated by laser ablation of the amino acid in a supersonic jet containing water vapor and characterized using Fourier transform microwave spectroscopy. In the observed complexes, water molecules bind to the carboxylic group of alanine acting as both proton donors and acceptors. In alanine-H2O, the water molecule establishes two intermolecular hydrogen bonds forming a six-membered cycle, while in alanine-(H2O)2 the two water molecules establish three hydrogen bonds forming an eight-membered ring. In both complexes, the amino acid moiety is in its neutral form and shows the conformation observed to be the most stable for the bare molecule. The microsolvation study of alanine-(H2O)n (n = 1,2) can be taken as a first step toward understanding bulk properties at a microscopic level.

Original language	English
Article number	N/A
Pages (from-to)	2584-2590
Number of pages	7
Journal	The journal of physical chemistry. A
Volume	118
Issue number	14
DOIs	https://doi.org/10.1021/jp500862y
Publication status	Published - 10 Apr 2014

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title = "Alanine water complexes",

abstract = "Two complexes of alanine with water, alanine-(H2O)n (n = 1,2), have been generated by laser ablation of the amino acid in a supersonic jet containing water vapor and characterized using Fourier transform microwave spectroscopy. In the observed complexes, water molecules bind to the carboxylic group of alanine acting as both proton donors and acceptors. In alanine-H2O, the water molecule establishes two intermolecular hydrogen bonds forming a six-membered cycle, while in alanine-(H2O)2 the two water molecules establish three hydrogen bonds forming an eight-membered ring. In both complexes, the amino acid moiety is in its neutral form and shows the conformation observed to be the most stable for the bare molecule. The microsolvation study of alanine-(H2O)n (n = 1,2) can be taken as a first step toward understanding bulk properties at a microscopic level.",

author = "Vanesa Vaquero and Sanz, {Maria Eugenia} and Santiago Mata and Isabel Pe{\~n}a and Carlos Cabezas and L{\'o}pez, {Juan C} and Alonso, {Jos{\'e} L}",

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doi = "10.1021/jp500862y",

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TY - JOUR

T1 - Alanine water complexes

AU - Vaquero, Vanesa

AU - Sanz, Maria Eugenia

AU - Mata, Santiago

AU - Peña, Isabel

AU - Cabezas, Carlos

AU - López, Juan C

AU - Alonso, José L

PY - 2014/4/10

Y1 - 2014/4/10

N2 - Two complexes of alanine with water, alanine-(H2O)n (n = 1,2), have been generated by laser ablation of the amino acid in a supersonic jet containing water vapor and characterized using Fourier transform microwave spectroscopy. In the observed complexes, water molecules bind to the carboxylic group of alanine acting as both proton donors and acceptors. In alanine-H2O, the water molecule establishes two intermolecular hydrogen bonds forming a six-membered cycle, while in alanine-(H2O)2 the two water molecules establish three hydrogen bonds forming an eight-membered ring. In both complexes, the amino acid moiety is in its neutral form and shows the conformation observed to be the most stable for the bare molecule. The microsolvation study of alanine-(H2O)n (n = 1,2) can be taken as a first step toward understanding bulk properties at a microscopic level.

AB - Two complexes of alanine with water, alanine-(H2O)n (n = 1,2), have been generated by laser ablation of the amino acid in a supersonic jet containing water vapor and characterized using Fourier transform microwave spectroscopy. In the observed complexes, water molecules bind to the carboxylic group of alanine acting as both proton donors and acceptors. In alanine-H2O, the water molecule establishes two intermolecular hydrogen bonds forming a six-membered cycle, while in alanine-(H2O)2 the two water molecules establish three hydrogen bonds forming an eight-membered ring. In both complexes, the amino acid moiety is in its neutral form and shows the conformation observed to be the most stable for the bare molecule. The microsolvation study of alanine-(H2O)n (n = 1,2) can be taken as a first step toward understanding bulk properties at a microscopic level.

U2 - 10.1021/jp500862y

DO - 10.1021/jp500862y

M3 - Article

C2 - 24617287

SN - 1520-5215

VL - 118

SP - 2584

EP - 2590

JO - The journal of physical chemistry. A

JF - The journal of physical chemistry. A

IS - 14

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ER -

Alanine water complexes

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