Literature DB >> 19835081

Seven conformers of L-threonine in the gas phase: a LA-MB-FTMW study.

José L Alonso1, Cristóbal Pérez, M Eugenia Sanz, Juan C López, Susana Blanco.   

Abstract

Rotational spectroscopy in combination with molecular beams and laser ablation (laser-ablation molecular-beam Fourier transform microwave (LA-MB-FTMW) spectroscopy) has proved to be successful in characterizing the conformers of natural amino acids. The procedure usually followed to assign and identify the different conformers of an amino acid from the rotational spectrum is described through the study of the natural amino acid L-threonine. The solid sample of L-threonine was vaporized by laser pulses, diluted in Ne and supersonically expanded between the mirrors of a Fabry-Pérot resonator where it was spectroscopically probed by microwave radiation. The rotational and nuclear quadrupole coupling constants extracted from the analysis of the rotational spectrum are directly compared with those predicted by ab initio methods to achieve the conclusive identification of seven different conformers. A complex hydrogen bonding network arises as a consequence of the polar side chain of threonine.

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Year:  2009        PMID: 19835081     DOI: 10.1039/b810940k

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  11 in total

1.  Conformational analysis and intramolecular hydrogen bonding of cis-3-aminoindan-1-ol: a quantum chemical study.

Authors:  Djaffar Kheffache; Hind Guemmour; Azzedine Dekhira; Ahmed Benaboura; Ourida Ouamerali
Journal:  J Mol Model       Date:  2013-09-13       Impact factor: 1.810

Review 2.  Competing intramolecular vs. intermolecular hydrogen bonds in solution.

Authors:  Peter I Nagy
Journal:  Int J Mol Sci       Date:  2014-10-28       Impact factor: 5.923

3.  Elucidating the multiple structures of pipecolic acid by rotational spectroscopy.

Authors:  A Simão; C Cabezas; I León; E R Alonso; S Mata; J L Alonso
Journal:  Phys Chem Chem Phys       Date:  2019-02-20       Impact factor: 3.676

4.  Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding.

Authors:  Carlos Cabezas; Martinus A T Robben; Anouk M Rijs; Isabel Peña; J L Alonso
Journal:  Phys Chem Chem Phys       Date:  2015-08-21       Impact factor: 3.676

5.  Accurate molecular structure and spectroscopic properties of nucleobases: a combined computational-microwave investigation of 2-thiouracil as a case study.

Authors:  Cristina Puzzarini; Malgorzata Biczysko; Vincenzo Barone; Isabel Peña; Carlos Cabezas; José L Alonso
Journal:  Phys Chem Chem Phys       Date:  2013-09-04       Impact factor: 3.676

6.  High-Resolution Rotational Spectrum, Dunham Coefficients, and Potential Energy Function of NaCl.

Authors:  C Cabezas; J Cernicharo; G Quintana-Lacaci; I Peña; M Agundez; L Velilla Prieto; A Castro-Carrizo; J Zuñiga; A Bastida; J L Alonso; A Requena
Journal:  Astrophys J       Date:  2016-07-13       Impact factor: 5.874

7.  Formation of interstellar cyanoacetamide: a rotational and computational study.

Authors:  M Sanz-Novo; I León; J L Alonso; A Largo; C Barrientos
Journal:  Astron Astrophys       Date:  2020-11-24       Impact factor: 5.802

8.  Conformational study of L-methionine and L-cysteine derivatives through quantum chemical calculations and 3JHH coupling constant analyses.

Authors:  Weslley G D P Silva; Carolyne B Braga; Roberto Rittner
Journal:  Beilstein J Org Chem       Date:  2017-05-17       Impact factor: 2.883

9.  Generation and structural characterization of aluminum cyanoacetylide.

Authors:  Carlos Cabezas; Carmen Barrientos; Antonio Largo; Jean-Claude Guillemin; José Cernicharo; Isabel Peña; José L Alonso
Journal:  J Chem Phys       Date:  2014-09-14       Impact factor: 3.488

10.  TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids.

Authors:  David Ferro-Costas; Irea Mosquera-Lois; Antonio Fernández-Ramos
Journal:  J Cheminform       Date:  2021-12-24       Impact factor: 8.489

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