José L Alonso

José L Alonso
Universidad de Valladolid | UVA · Department of Physical Chemistry and Inorganic Chemistry

Professor

About

478
Publications
43,333
Reads
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7,495
Citations
Citations since 2016
110 Research Items
2792 Citations
20162017201820192020202120220100200300400500
20162017201820192020202120220100200300400500
20162017201820192020202120220100200300400500
20162017201820192020202120220100200300400500

Publications

Publications (478)
Article
Full-text available
We report a detailed structural study of cytisine, an alkaloid used to help with smoking cessation, looking forward to unveiling its role as a nicotinic agonist. High-resolution rotational spectroscopy has allowed us to characterize two different conformers exhibiting axial and equatorial arrangements of the piperidinic NH group. Unexpectedly, the...
Article
Full-text available
Sulfanilamide, a widely used antibacterial drug, has been brought into the gas phase using laser ablation techniques, and its structure has been characterized in the isolated conditions of a supersonic expansion using Fourier transform microwave techniques. A single conformer stabilized by an N-H⋯OS intramolecular interaction in an equatorial disp...
Article
Full-text available
In the present work, we report the first rotational study of N-acetylgalactosamine, a cancer-associated sugar derivative, by means of high-resolution rotational spectroscopy. Two different conformers have been conclusively characterized using broadband Fourier transform microwave spectroscopy coupled with a laser ablation vaporization system. Addit...
Article
Full-text available
Aims. In this work, we aim to achieve the first laboratory detection of acetohydroxamic acid (CH 3 CONHOH), a relevant glycine isomer, to enable its eventual identification in the ISM. Methods. We employed a battery of state-of-the-art rotational spectroscopic techniques in the time domain to measure the microwave spectrum of acetohydroxamic acid....
Article
The conformational landscape of β-D-allose, a rare sugar, was investigated using laser ablation in combination with high-resolution rotational spectroscopy. Altogether, three species are identified, exhibiting a counter-clockwise intramolecular hydrogen bond network. The effect of epimerization on the main aldohexose is also studied and, despite th...
Article
An integrated experimental-computational strategy for the accurate characterization of the conformational landscape of flexible biomolecule building blocks is proposed. This is based on the combination of rotational spectroscopy with quantum-chemical computations guided by artificial intelligence tools. The first step of the strategy is the conform...
Article
Formveränderliche Moleküle wurden in der Gasphase untersucht, wobei die von José L. Alonso und Mitarbeitern in ihrer Mitteilung (DOI: 10.1002/ange.202117045) beschriebenen Phänomene der Valenztautomerie für ein archetypisches Barbaralon schlüssig aufgedeckt werden konnten. Die beiden Valenztautomere dieses bistabilen molekularen Systems wurden zum...
Article
Shape‐shifting molecules were probed in the gas phase, which conclusively unveiled the valence tautomerism phenomena for an archetypal barbaralone as described by José L. Alonso et al. in their Communication (e202117045). The two valence tautomers of this bistable molecular system were isolated in a supersonic jet for the first time and characteriz...
Article
Full-text available
We used high-resolution rotational spectroscopy coupled to a laser ablation source to study the conformational panorama of perillartine, a solid synthetic sweetener. Four conformers were identified under the isolation conditions of the supersonic expansion, showing that all of them present an E configuration of the C=N group with respect to the dou...
Article
Full-text available
We report a state‐of‐the‐art spectroscopic study of an archetypical barbaralone, conclusively revealing the valence tautomerism phenomena for this bistable molecular system. The two distinct 1‐ and 5‐substituted valence tautomers have been isolated in a supersonic expansion for the first time and successfully characterized by high‐resolution rotati...
Article
We report a state‐of‐the‐art spectroscopic study of an archetypical barbaralone, conclusively revealing the valence tautomerism phenomena for this bistable molecular system. The two distinct 1‐ and 5‐substituted valence tautomers have been isolated in a supersonic expansion for the first time and successfully characterized by high‐resolution rotati...
Preprint
Full-text available
Context. In recent times, large organic molecules of exceptional complexity have been found in diverse regions of the interstellar medium. Aims. In this context, we aim to provide accurate frequencies of the ground vibrational state of two key aliphatic aldehydes, n -butanal and its branched-chain isomer, i-butanal, to enable their eventual detecti...
Article
Herein, we report the first rotational study of neutral L-DOPA, an extensively used supramolecular synthon and an amino acid precursor of the neurotransmitters dopamine, norepinephrine (noradrenaline), and epinephrine (adrenaline) using broadband and narrowband Fourier transform microwave spectroscopies coupled with a laser ablation vaporization sy...
Article
Context. Glycinamide (NH 2 CH 2 C(O)NH 2 ) is considered to be one of the possible precursors of the simplest amino acid, glycine. Its only rotational spectrum reported so far has been in the centimetre-wave region on a laser-ablation generated supersonic expansion sample. Aims. The aim of this work is to extend the laboratory spectrum of glycinami...
Preprint
Glycinamide is considered to be one of the possible precursors of the simplest amino acid glycine. Its only rotational spectrum reported so far has been in the cm-wave region. The aim of this work is to extend its laboratory spectrum into the mm wave region to support its searches in the ISM. Glycinamide was synthesised chemically and was studied w...
Article
Full-text available
The high amount of unstable species in the realm of interstellar chemistry drives an urgent need to develop efficient methods for the in situ generations of molecules that enable their spectroscopic characterizations. Such laboratory experiments are fundamental to decode the molecular universe by matching the interstellar and terrestrial spectra. I...
Article
The high amount of unstable species in the realm of interstellar chemistry drives an urgent need to develop efficient methods for the in situ generations of molecules that enable their spectroscopic characterizations. Such laboratory experiments are fundamental to decode the molecular universe by matching the interstellar and terrestrial spectra. I...
Article
The cover image describes the “journey” among different states of matter of creatinine. In particular, the ice cubes, representing the solid state, highlight the presence of the only amino‐isomer structure of creatinine. The same is also found for the “melt” ice (the puddle) which represents the aqueous solution. Finally, the “smoke” representing t...
Article
Full-text available
We have successfully characterized the structure of testosterone, one of the essential steroids, through high-resolution rotational spectroscopy. A single conformer has been detected, and a total of 404 transitions have been fitted, allowing a precise determination of the rotational constants. It allowed us to unravel that the isolated structure of...
Article
Herein we present a laboratory rotational study of cyanoacetic acid (CH2(CN)C(O)OH), an organic acid as well as a -CN bearing molecule, that is a candidate molecular system to be detected in the interstellar medium (ISM). Our investigation aims to provide direct experimental frequencies of cyanoacetic acid to guide its eventual astronomical search...
Article
Full-text available
The unbiased, naked structures of tartaric acid, one of the most important organic compounds existing in nature and a candidate to be present in the interstellar medium, has been revealed in this work for the first time. Solid samples of its naturally occurring (R,R) enantiomer have been vaporized by laser ablation, expanded in a supersonic jet, an...
Article
Full-text available
The conformational landscape of the chiral and astrochemical tartaric acid molecule has been revealed for the first time using a combination of laser ablation and rotational spectroscopy techniques. Five different structures have been characterized, being ruled by different hydrogen bonding patterns. Also, this data enables the first attempt to det...
Article
Full-text available
New spectroscopic experiments and state‐of‐the‐art quantum‐chemical computations of creatinine in different aggregation states unequivocally unveiled a significant tuning of tautomeric equilibrium by the environment: from the exclusive presence of the amine tautomer in the solid state and aqueous solution to a mixture of different conformers of ami...
Article
Cycloserine has in common with isoxazolidines the saturated five-membered ring, which is an important scaffold for drug design, exhibiting diverse biological activities. The most remarkable feature of these compounds is the presence of the N-O bond framed in a cyclic moiety. The lack of an accurate characterization of this structural feature in an...
Preprint
For all the amides detected in the interstellar medium (ISM), the corresponding nitriles or isonitriles have also been detected in the ISM, some of which have relatively high abundances. Among the abundant nitriles for which the corresponding amide has not yet been detected is cyanoacetylene (HCCCN), whose amide counterpart is propiolamide (HCCC(O)...
Article
Context. For all the amides detected in the interstellar medium (ISM), the corresponding nitriles or isonitriles have also been detected in the ISM, some of which have relatively high abundances. Among the abundant nitriles for which the corresponding amide has not yet been detected is cyanoacetylene (HCCCN), whose amide counterpart is propiolamide...
Chapter
The investigation of the structure of biomolecules and the intramolecular interactions responsible for the stabilization of their preferred conformations is of fundamental importance as the first step to understand their role in the mechanisms of molecular recognition and biochemical function. A thorough understanding of the forces affecting confor...
Preprint
Context. Cyanoacetamide is a –CN bearing molecule that is also an amide derivative target molecule in the interstellar medium. Aims. The aim of our investigation is to analyze the feasibility of a plausible formation process of protonated cyanoacetamide under interstellar conditions and to provide direct experimental frequencies of the ground vibra...
Article
Full-text available
A dual microwave and optical spectroscopic study of a capped cysteine aminoacid isolated in a supersonic expansion, combined with quantum chemistry modelling, enabled us to characterize the conformational preferences of Cys embedded in a protein chain. IR/UV double resonance spectroscopy provided evidence for the coexistence two conformers, assigne...
Article
The discovery of propynal HC≡CCHO in the interstellar medium (ISM), has been reported in previous investigations, but its detection relied on only a few measured rotational transitions. Therefore, we provide in this work an exhaustive experimental study of its rotational spectra in the microwave, millimeter-wave (mm-wave), and sub-millimeter wave (...
Preprint
Glycolamide is a glycine isomer and also one of the simplest derivatives of acetamide (e.g., one hydrogen atom is replaced with a hydroxyl group), which is a known interstellar molecule. Using a battery of state of the art rotational spectroscopic techniques in the frequency and time domain, around 1500 transitions have been newly assigned. Based o...
Article
Full-text available
Context. Glycolamide is a glycine isomer and also one of the simplest derivatives of acetamide (e.g., one hydrogen atom is replaced with a hydroxyl group), which is a known interstellar molecule. Aims. In this context, the aim of our work is to provide direct experimental frequencies of the ground vibrational state of glycolamide in the centimeter-...
Article
Herein we present the first rotational study of the isolated AlaAla dipeptide, placed in the gas phase by laser ablation. Two different structures have been unveiled in the isolated environment of a supersonic expansion by Fourier transform microwave spectroscopy. These structures have been identified through their rotational and 14N quadrupole cou...
Article
Four conformers of the non-proteinogenic α-amino acid of isovaline, vaporized by laser ablation, are characterized for the first time by Fourier-transform microwave techniques in a supersonic expansion. The comparison between the experimental rotational and 14 N nuclear quadrupole coupling constants and those calculated ab initio provides conclusiv...
Article
Biophysik In ihrer Zuschrift auf S. 16148 beschreiben J. L. Alonso et al. die Erzeugung dreier neutraler Formen der proteinogenen Aminosäure Glutamin durch Laserablation und deren strukturelle Charakterisierung durch Mikrowellenspektroskopie.
Article
Biophysics Three neutral forms of the proteinogenic amino acid glutamine have been generated by laser ablation and structurally characterized by microwave spectroscopy by J. L. Alonso et al in their Communication on page 16002 ff.
Article
Full-text available
We present a laboratory rotational study of, and astronomical search for, lactaldehyde (CH3CH(OH)CH(O)), one of the simplest chiral molecules that could reasonably be seen in the interstellar medium (ISM), in the millimeter and submillimeter wave regions from 80 to 460 GHz. More than 5000 transitions were assigned to the most stable conformer, and...
Article
Full-text available
The metallic cyanoacetylides LiC3N, NaC3N, MgC3N, and CaC3N have been investigated by combined spectroscopy measurements and theoretical calculations. The theoretical calculations predict for the four species that the linear isomer with the formula MCCCN (M = Li, Na, Mg, and Ca) is the most stable one. We used laser ablation molecular beam Fourier...
Article
Drei neutrale Formen von proteinogenem Glutamin, die mit ihrer biologischen Funktion eng verknüpft sind, wurden durch Laser-Ablation erzeugt und strukturell durch Mikrowellen-Spektroskopie charakterisiert. Abstract Neutral glutamine has been evaporated by laser ablation of its solid sample to seed a rare gas carrier prior to a supersonic expansion...
Article
Neutral glutamine has been evaporated by laser ablation of its solid sample to seed a rare gas carrier prior to a supersonic expansion and proved by Fourier transform microwave techniques. We report on three distinct neutral conformers that show a singular non‐interacting and flexible amide sidechain in contrast with the other proteinogenic aliphat...
Article
Herein, a full structural description is presented for the archetypical supramolecular synthone squaric acid (3,4‐dihydroxy‐3‐cyclobutene‐1,2‐dione), placed in the gas phase by laser ablation and characterized by chirped pulse Fourier transform microwave technique. Free from natural environmental disturbances, two different anti‐anti and syn‐anti p...
Article
We present the first high-resolution rotational study of the artificial sweetener saccharin. By combining laser ablation (LA), narrow- and broadband Fourier transform microwave techniques (FTMW) and supersonic expansions, we have transferred the solid of saccharin (m.p. 229 ºC) to a supersonic jet and captured its rotational spectrum. The rotationa...
Article
In the course of the investigation of the rotational spectrum of prebiotic hydantoic acid by Fourier transform microwave spectroscopy coupled with a laser ablation source in a supersonic expansion, rotational signatures of two cyclic molecules - hydantoin and 2,5-oxazolidinedione - have been unexpectedly observed along with the four most stable con...
Article
Full-text available
Numerous studies have suggested that the n→π* interactions between carbonyls could contribute significantly to the stability of proteins. Nevertheless, their evaluation is challenging because of the solvent environment or crystal packing forces in solids. Here we study the rotational spectrum of HGlyProOH dipeptide, a very common sequence found in...
Article
The Cover Feature shows the identified conformers of the artificial sweeteners sorbitol and dulcitol studied for the first time in the gas phase by using a combination of chirped pulse Fourier transform microwave spectroscopy coupled with our laser ablation source. The isolation conditions provided by the supersonic expansion reveal the existence o...
Article
Full-text available
The complex conformational space of the non-proteinogenic cyclic amino acid pipecolic acid has been explored in the gas phase for the first time. Solid pipecolic acid samples were vaporized by laser ablation and expanded in a supersonic jet where the rotational spectral signatures owing to nine different conformers were observed by Fourier transfor...
Article
The non-proteinogenic amino acid N-Methyl-L-alanine has been brought into the gas phase using laser ablation techniques and studied by high resolution chirped pulse and molecular-beam Fourier transform microwave spectrometers coupled to supersonic expansion. Four conformers showing the three type of hydrogen bond interactions I (NH···O=C), II (OH··...
Article
The simplest non‐proteinogenic amino acid α‐aminoisobutyric acid (Aib), an analog of glycine and alanine, has been vaporized by laser ablation and probed by high‐resolution Fourier transform microwave spectroscopic techniques. Comparison of the experimental rotational and 14N nuclear quadrupole constants with that predicted ab initio has allowed th...
Article
The gas phase study of the artificial sweeteners sorbitol and dulcitol has been carried out for the first time, using a combination of chirped pulse Fourier transform microwave (CP‐FTMW) spectroscopy coupled with a laser ablation (LA) source. The isolation conditions provided by the supersonic expansion reveal the intrinsic conformational structure...
Article
Context: Methoxyacetaldehyde belongs to a group of structural isomers with the general formula C3H6O2, of which methyl acetate and ethyl formate are known interstellar molecules. Rotational data available for methoxyacetaldehyde are limited to 40 GHz, which makes predictions at higher frequencies rather uncertain. Aims: The aim of this work is t...
Article
Conformational flexibility and non‐covalent interactions determine the structure and activity of molecules in biological processes. In this work, the hydrogen bonding networks of the polyol ribitol have been determined for the first time using a combination of laser ablation and broadband rotational spectroscopy. Five conformations of ribitol have...
Article
The hydrogen‐bonding networks of the naturally occurring polyol d‐ribitol have been revealed in a supersonic expansion by laser ablation and broadband Fourier transform microwave spectroscopy. Sequential O−H⋅⋅⋅O hydrogen bonds in a clockwise or counter‐clockwise arrangement stabilize five conformations of ribitol, wrapping round the carbon backbone...
Article
Full-text available
Glycinamide, a glycine precursor, has been successfully generated in the gas phase by laser ablation of its hydrochloride salt, and its microwave spectrum, recorded from 6 to 16 GHz using a Chirped Pulse Fourier Transform Microwave (LA-CP-FTMW) spectrometer, is reported for the first time. The existence of a single structure stabilized by a Na-H ⋯...
Article
Full-text available
Context: Relatively high abundances of methyl isocyanate (CH3NCO), a methyl derivative of isocyanic acid (HNCO), found in the Orion KL and Sgr B2 molecular clouds suggest that its ethyl derivative, ethyl isocyanate (CH3CH2NCO), may also be present. Aims: The aim of this work is to provide accurate experimental frequencies of ethyl isocyanate in...
Article
Full-text available
β-aminobutyric acid is a non-proteinogenic amino acid that is known to protect plants against various pathogens. Its structure is midway between α-aminobutyric acid and γ-aminobutyric acid. The structural differences in the position of the amino group in the conformational stabilization of β-aminobutyric acid have been studied by laser ablation Fou...
Article
Full-text available
A detailed analysis of the rotational spectra of the interstellar iso-propyl cyanide has been carried out up to 480 GHz using three different high-resolution spectroscopic techniques. Jet-cooled broadband chirped pulse Fourier transform microwave spectroscopy from 6 to 18 GHz allowed us to measure and analyze the ground-state rotational transitions...
Article
The benefits of vaporization by laser ablation and the high resolution and sensitivity attained by the chirped pulse Fourier transform microwave spectroscopy CP-FTMW have provided the first conformational map of the simplest phenolic acids of trans-cinnamic and p-coumaric. Two conformers of trans-cinnamic acid and four conformers of trans-p-coumari...
Article
Full-text available
Aims: Methoxyamine is a potential interstellar amine that has been predicted by gas-grain chemical models for the formation of complex molecules. The aim of this work is to provide direct experimental frequencies of its ground-vibrational state in the millimeter- and submillimeter-wave regions to achieve its detection in the interstellar medium....
Article
Laser ablation techniques coupled with broadband and narrowband Fourier transform microwave spectroscopies have allowed the high resolution rotational study of solid hydantoin, an important target in astrochemistry as a possible precursor of glycine. The complicated hyperfine structure arising from the presence of two ¹⁴N nuclei in non-equivalent p...