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Determining the Molecular Shape of Progesterone: Insights from Laser Ablation Rotational Spectroscopy

The Journal of Physical Chemistry Letters
2025-03-06 | Journal article
DOI: 10.1021/acs.jpclett.4c03618
Contributors: Aran Insausti; Elena R. Alonso; Sofía Municio; Iker León; Lucie Kolesniková; Santiago Mata
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Crossref

Revealing the Structure of 6-Aminopenillanic Acid: The Active Nucleus of Penicillins

The Journal of Physical Chemistry Letters
2024-02-22 | Journal article
DOI: 10.1021/acs.jpclett.3c03301
Contributors: Sergio Mato; Santiago Mata; Elena R. Alonso; Iker León
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Crossref

Bringing Machine‐Learning Enhanced Quantum Chemistry and Microwave Spectroscopy to Conformational Landscape Exploration: the Paradigmatic Case of 4‐Fluoro‐Threonine

Chemistry – A European Journal
2023-04-25 | Journal article
DOI: 10.1002/chem.202203990
Contributors: V. Barone; M. Fusè; R. Aguado; S. Potenti; I. León; E. R. Alonso; S. Mata; F. Lazzari; G. Mancini; L. Spada et al.
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A solvent-mediated conformational switch in sulfanilamide

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP03367D
Contributors: Sergio Mato; Raúl Aguado; Santiago Mata; José Luis Alonso; Iker León
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Crossref

The Nicotinic Agonist Cytisine: The Role of the NH···N Interaction

The Journal of Physical Chemistry Letters
2022-10-27 | Journal article
DOI: 10.1021/acs.jpclett.2c02021
Contributors: Raúl Aguado; Santiago Mata; Miguel Sanz-Novo; Elena R. Alonso; Iker León; José L. Alonso
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Crossref

Unveiling the Shape of N-Acetylgalactosamine: A Cancer-Associated Sugar Derivative

The Journal of Physical Chemistry A
2022-10-27 | Journal article
DOI: 10.1021/acs.jpca.2c04595
Contributors: R. Aguado; M. Sanz-Novo; S. Mata; I. León; J. L. Alonso
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Crossref

Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry, and artificial intelligence: The puzzling case of homocysteine

The Journal of Chemical Physics
2022-08-21 | Journal article
DOI: 10.1063/5.0102841
Contributors: Iker León; Marco Fusè; Elena R. Alonso; Santiago Mata; Giordano Mancini; Cristina Puzzarini; José L. Alonso; Vincenzo Barone
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An Innovative Approach for the Generation of Species of the Interstellar Medium

Angewandte Chemie International Edition
2021-11-08 | Journal article
DOI: 10.1002/anie.202110325
Contributors: Lucie Kolesniková; Iker León; Elena R. Alonso; Santiago Mata; Jose Luis Alonso
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Crossref

An Innovative Approach for the Generation of Species of the Interstellar Medium

Angewandte Chemie
2021-11-08 | Journal article
DOI: 10.1002/ange.202110325
Contributors: Lucie Kolesniková; Iker León; Elena R. Alonso; Santiago Mata; Jose Luis Alonso
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Crossref

Cover Feature: Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy (ChemPlusChem 10/2021)

ChemPlusChem
2021-10 | Journal article
DOI: 10.1002/cplu.202100346
Contributors: Iker Léon; Nicola Tasinato; Lorenzo Spada; Elena R. Alonso; Santiago Mata; Alice Balbi; Cristina Puzzarini; Jose L. Alonso; Vincenzo Barone
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Crossref

Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy

ChemPlusChem
2021-10 | Journal article
DOI: 10.1002/cplu.202100224
Contributors: Iker Léon; Nicola Tasinato; Lorenzo Spada; Elena R. Alonso; Santiago Mata; Alice Balbi; Cristina Puzzarini; Jose L. Alonso; Vincenzo Barone
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Crossref

Unveiling Five Naked Structures of Tartaric Acid

Angewandte Chemie International Edition
2021-08-02 | Journal article
DOI: 10.1002/anie.202105718
Contributors: Elena R. Alonso; Iker León; Lucie Kolesniková; Santiago Mata; Jose Luis Alonso
Source: check_circle
Crossref

Unveiling Five Naked Structures of Tartaric Acid

Angewandte Chemie
2021-08-02 | Journal article
DOI: 10.1002/ange.202105718
Contributors: Elena R. Alonso; Iker León; Lucie Kolesniková; Santiago Mata; Jose Luis Alonso
Source: check_circle
Crossref

Shape of Testosterone

The Journal of Physical Chemistry Letters
2021-07-29 | Journal article
DOI: 10.1021/acs.jpclett.1c01743
Contributors: Iker León; Elena R. Alonso; Santiago Mata; José L. Alonso
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Crossref

A rotational study of the AlaAla dipeptide

Physical Chemistry Chemical Physics
2020 | Journal article
DOI: 10.1039/D0CP01043J
Contributors: I. León; E. R. Alonso; S. Mata; J. L. Alonso
Source: check_circle
Crossref

Gas‐Phase Conformational Map of the Amino Acid Isovaline

ChemPhysChem
2020-03-17 | Journal article
DOI: 10.1002/cphc.201901201
Contributors: E. M. Neeman; I. León; E. R. Alonso; S. Mata; J. L. Alonso
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Crossref

Elucidating the multiple structures of pipecolic acid by rotational spectroscopy

Physical Chemistry Chemical Physics
2019 | Journal article
DOI: 10.1039/C8CP06120C
Contributors: A. Simão; C. Cabezas; I. León; E. R. Alonso; S. Mata; J. L. Alonso
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Crossref

Frontispiece: Unveiling the Neutral Forms of Glutamine

Angewandte Chemie International Edition
2019-11-04 | Journal article
DOI: 10.1002/anie.201984561
Contributors: Iker León; Elena R. Alonso; Santiago Mata; Carlos Cabezas; Jose Luis Alonso
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Crossref

Frontispiz: Unveiling the Neutral Forms of Glutamine

Angewandte Chemie
2019-11-04 | Journal article
DOI: 10.1002/ange.201984561
Contributors: Iker León; Elena R. Alonso; Santiago Mata; Carlos Cabezas; Jose Luis Alonso
Source: check_circle
Crossref

Unveiling the Neutral Forms of Glutamine

Angewandte Chemie
2019-11-04 | Journal article
DOI: 10.1002/ange.201907222
Contributors: Iker León; Elena R. Alonso; Santiago Mata; Carlos Cabezas; Jose Luis Alonso
Source: check_circle
Crossref

Unveiling the Neutral Forms of Glutamine

Angewandte Chemie International Edition
2019-11-04 | Journal article
DOI: 10.1002/anie.201907222
Contributors: Iker León; Elena R. Alonso; Santiago Mata; Carlos Cabezas; Jose Luis Alonso
Source: check_circle
Crossref

Conformational Map of Phenolic Acids

Journal of Physical Chemistry A
2018 | Journal article
DOI: 10.1021/acs.jpca.7b08882
EID:

2-s2.0-85040769444
Contributors: Cortijo, V.; Alonso, E.R.; Mata, S.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

The effect of N-methylation on the conformational landscape of alanine: the case of N-methyl-l-alanine

Physical Chemistry Chemical Physics
2018 | Journal article
DOI: 10.1039/C8CP06043F
Contributors: E. M. Neeman; I. León; E. R. Alonso; L. Kolesniková; S. Mata; J. L. Alonso
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Crossref

A Comprehensive Rotational Study of Interstellar Iso-propyl Cyanide up to 480 GHz

Astrophysical Journal, Supplement Series
2017 | Journal article
DOI: 10.3847/1538-4365/aa9614
EID:

2-s2.0-85039840690
Contributors: Kolesniková, L.; Alonso, E.R.; Mata, S.; Cernicharo, J.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Laboratory millimeter wave spectrum of N-methylhydroxylamine

Journal of Molecular Spectroscopy
2017 | Journal article
DOI: 10.1016/j.jms.2017.03.006
EID:

2-s2.0-85016405704
Contributors: Kolesniková, L.; Alonso, E.R.; Mata, S.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile

Astrophysical Journal, Supplement Series
2017 | Journal article
DOI: 10.3847/1538-4365/aa5d13
EID:

2-s2.0-85018457672
Contributors: Kolesniková, L.; Alonso, E.R.; Mata, S.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

The role of amino acid side chains in stabilizing dipeptides: The laser ablation Fourier transform microwave spectrum of Ac-Val-NH<inf>2</inf>

Physical Chemistry Chemical Physics
2017 | Journal article
DOI: 10.1039/c7cp03924g
EID:

2-s2.0-85029863359
Contributors: León, I.; Alonso, E.R.; Mata, S.; Cabezas, C.; Rodríguez, M.A.; Grabow, J.-U.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Sweet Structural Signatures Unveiled in Ketohexoses

Chemistry - A European Journal
2016 | Journal article
DOI: 10.1002/chem.201603223
EID:

2-s2.0-84990175325
Contributors: Bermúdez, C.; Peña, I.; Mata, S.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Analysis of illicit drugs by direct ablation of solid samples

European Journal of Mass Spectrometry
2015 | Journal article
DOI: 10.1255/ejms.1399
EID:

2-s2.0-84961180531
Contributors: Bermúdez, C.; Cabezas, C.; Mata, S.; Berdakin, M.; Tejedor, J.M.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

The rotational spectrum of tyrosine

Journal of Physical Chemistry A
2015 | Journal article
DOI: 10.1021/acs.jpca.5b01792
EID:

2-s2.0-84928501266
Contributors: Pérez, C.; Mata, S.; Cabezas, C.; López, J.C.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Alanine water complexes

Journal of Physical Chemistry A
2014 | Journal article
DOI: 10.1021/jp500862y
EID:

2-s2.0-84898411653
Contributors: Vaquero, V.; Sanz, M.E.; Peña, I.; Mata, S.; Cabezas, C.; López, J.C.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Rotational spectrum of tryptophan

Journal of Chemical Physics
2014 | Journal article
DOI: 10.1063/1.4876001
EID:

2-s2.0-84901746316
Contributors: Sanz, M.E.; Cabezas, C.; Mata, S.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Tautomerism in Neutral Histidine

Angewandte Chemie - International Edition
2014 | Journal article
DOI: 10.1002/anie.201405347
EID:

2-s2.0-84911116988
Contributors: Bermúdez, C.; Mata, S.; Cabezas, C.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

The conformational behaviour of free d-glucose - At last

Chemical Science
2014 | Journal article
DOI: 10.1039/c3sc52559g
EID:

2-s2.0-84891387757
Contributors: Alonso, J.L.; Lozoya, M.A.; Peña, I.; López, J.C.; Cabezas, C.; Mata, S.; Blanco, S.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

The millimeter and submillimeter wave spectrum of cis-methyl vinyl ether

Journal of Molecular Spectroscopy
2014 | Journal article
DOI: 10.1016/j.jms.2014.10.003
EID:

2-s2.0-84908406071
Contributors: Daly, A.M.; Kolesniková, L.; Mata, S.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

All five forms of cytosine revealed in the gas phase

Angewandte Chemie - International Edition
2013 | Journal article
DOI: 10.1002/anie.201207744
EID:

2-s2.0-84873891161
Contributors: Alonso, J.L.; Vaquero, V.; Peña, I.; Lõpez, J.C.; Mata, S.; Caminati, W.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Conformational analysis of octopamine and synephrine in the gas phase

Journal of Physical Chemistry A
2013 | Journal article
DOI: 10.1021/jp4032223
EID:

2-s2.0-84879066391
Contributors: Cabezas, C.; Simão, A.; Bermúdez, C.; Varela, M.; Peña, I.; Mata, S.; Fausto, R.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Conformations of d-xylose: The pivotal role of the intramolecular hydrogen-bonding

Physical Chemistry Chemical Physics
2013 | Journal article
DOI: 10.1039/c3cp52345d
EID:

2-s2.0-84885128838
Contributors: Peña, I.; Mata, S.; Martín, A.; Cabezas, C.; Daly, A.M.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Disentangling the puzzle of hydrogen bonding in vitamin C

Journal of Physical Chemistry Letters
2013 | Journal article
DOI: 10.1021/jz301947g
EID:

2-s2.0-84872201744
Contributors: Peña, I.; Daly, A.M.; Cabezas, C.; Mata, S.; Bermúdez, C.; Niño, A.; López, J.C.; Grabow, J.-U.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Laboratory and astronomical discovery of hydromagnesium isocyanide

Astrophysical Journal
2013 | Journal article
DOI: 10.1088/0004-637X/775/2/133
EID:

2-s2.0-84884526456
Contributors: Cabezas, C.; Cernicharo, J.; Alonso, J.L.; Agúndez, M.; Mata, S.; Guélin, M.; Peña, I.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Observation of dihydrated glycine

Chemical Communications
2013 | Journal article
DOI: 10.1039/c3cc40344k
EID:

2-s2.0-84876572101
Contributors: Alonso, J.L.; Peña, I.; Eugenia Sanz, M.; Vaquero, V.; Mata, S.; Cabezas, C.; López, J.C.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Six pyranoside forms of free 2-deoxy- D -ribose

Angewandte Chemie - International Edition
2013 | Journal article
DOI: 10.1002/anie.201305589
EID:

2-s2.0-84886780666
Contributors: Peña, I.; Cocinero, E.J.; Cabezas, C.; Lesarri, A.; Mata, S.; Écija, P.; Daly, A.M.; Cimas, A.; Bermúdez, C.; Basterretxea, F.J. et al.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

A broadband Fourier-transform microwave spectrometer with laser ablation source: The rotational spectrum of nicotinic acid

Journal of Molecular Spectroscopy
2012 | Journal article
DOI: 10.1016/j.jms.2012.08.004
EID:

2-s2.0-84867681508
Contributors: Mata, S.; Peña, I.; Cabezas, C.; López, J.C.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

LA-MB-FTMW spectroscopy of AlCCH and AgCCH with a discharge source

Journal of Molecular Spectroscopy
2012 | Journal article
DOI: 10.1016/j.jms.2012.07.003
EID:

2-s2.0-84864936174
Contributors: Cabezas, C.; Mata, S.; Daly, A.M.; Martín, A.; Alonso, J.L.; Cernicharo, J.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

The conformational locking of asparagine

Chemical Communications
2012 | Journal article
DOI: 10.1039/c2cc32109b
EID:

2-s2.0-84861691269
Contributors: Cabezas, C.; Varela, M.; Peña, I.; Mata, S.; López, J.C.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Unveiling the shape of aspirin in the gas phase

Angewandte Chemie - International Edition
2012 | Journal article
DOI: 10.1002/anie.201106621
EID:

2-s2.0-84856480650
Contributors: Cabezas, C.; Alonso, J.L.; Lõpez, J.C.; Mata, S.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Jet-cooled rotational spectrum of laser-ablated phenylalanine

Journal of Physical Chemistry A
2011 | Journal article
DOI: 10.1021/jp200800a
EID:

2-s2.0-80052221209
Contributors: Pérez, C.; Mata, S.; Blanco, S.; López, J.C.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Nuclear quadrupole coupling interactions in the rotational spectrum of tryptamine

Journal of Molecular Spectroscopy
2011 | Journal article
DOI: 10.1016/j.jms.2011.04.009
EID:

2-s2.0-80052949158
Contributors: Alonso, J.L.; Cortijo, V.; Mata, S.; Pérez, C.; Cabezas, C.; López, J.C.; Caminati, W.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

Rapid probe of the nicotine spectra by high-resolution rotational spectroscopy

Physical Chemistry Chemical Physics
2011 | Journal article
DOI: 10.1039/c1cp22197c
EID:

2-s2.0-82355192026
Contributors: Grabow, J.-U.; Mata, S.; Alonso, J.L.; Peña, I.; Blanco, S.; López, J.C.; Cabezas, C.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier

The two conformers of acetanilide unraveled using LA-MB-FTMW spectroscopy

Journal of Molecular Spectroscopy
2011 | Journal article
DOI: 10.1016/j.jms.2011.03.033
EID:

2-s2.0-80052198723
Contributors: Cabezas, C.; Varela, M.; Caminati, W.; Mata, S.; López, J.C.; Alonso, J.L.
Source: Self-asserted source
Santiago Mata via Scopus - Elsevier
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