Explanipedia

The Rotational Spectrum of 1-cyanocyclopentene and Its Search towards TMC-1 Open

Sergio Mato, Íker León, Brett A. McGuire, Elena R. Alonso · 2025

The astronomical detection of CN-functionalized ring molecules in TMC-1 has opened a new and unexplored area in space-based aromatic organic chemistry. The rotational spectrum of 1-cyano-cyclopentene (1-CNCPE) has been investigated using a…

Fragmentation Dynamics of Benzoyl Peroxide: Insights from Rotational Spectroscopy Open

Sergio Mato, Sofía Municio, José L. Alonso, Elena R. Alonso, Íker León · 2025

Benzoyl peroxide (BPO) represents a structurally simple yet hazardous organic peroxide with widespread applications across industrial and pharmaceutical domains. Despite its extensive use, detailed molecular-level understanding of its ther…

Conformational Analysis of 3-Indoleacetamide: Unveiling Structural Rigidity in the Tryptophan-Derived Bioactive Molecule Family Open

Sofía Municio, Sergio Mato, José L. Alonso, Elena R. Alonso, Íker León · 2025

The conformational landscape of 3-indoleacetamide, a key intermediate in plant hormone biosynthesis, has been comprehensively investigated using state-of-the-art laser-ablation chirped-pulse Fourier transform microwave (LA-CP-FTMW) and las…

Production of Lambic-like Fruit Sour Beer with Lachancea thermotolerans Open

Rodora M Bartolome, Elena R. Alonso, António Morata, Carmen López · 2025

Consumer demand for low-alcohol acidic beers is driving the use of non-conventional yeasts in the brewing process. In this study, the addition of mixed berries and fermentation with L. thermotolerans L31 are performed in crafting a low-alc…

New Molecular Insights on Gabapentin Open

Sofía Municio, Sergio Mato, J. L. Alonso, Elena R. Alonso, Íker León · 2025

Neutral gabapentin has been vaporized by laser ablation and supersonically expanded to record its rotational spectrum using Fourier transform microwave spectroscopy. We report the detection of five stable conformers, which differ in the in…

Elucidating the Three‐Dimensional Structure of Piracetam through Rotational Spectroscopy Open

Sergio Mato, Sofía Municio, José L. Alonso, Elena R. Alonso, Íker León · 2025

Herein we report on the most stable structures adopted by piracetam, a nootropic drug, in isolated conditions. A chirped pulse Fourier transform microwave spectrometer (CP‐FTMW) coupled with a laser ablation source has been employed to exp…

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

Aran Insausti, Elena R. Alonso, Sofía Municio, Íker León, Lucie Kolesníková , et al. · 2025

Herein, we present the first experimental observation of isolated progesterone, an endogenous steroid, placed in the gas phase by laser ablation and characterized in a supersonic expansion by Fourier transform microwave techniques. Guided …

Rotational Spectrum and Search for Lactonitrile toward Sgr B2(N) Open

Aran Insausti, Elena R. Alonso, Lucie Kolesníková, А. Беллоче, Íker León , et al. · 2025

Laboratory experiments on interstellar ice analogs have demonstrated that ice mixtures containing acetaldehyde (CH 3 CHO) and hydrogen cyanide (HCN) in the presence of ammonia (NH 3 ), water (H 2 O), or an NH 3 /H 2 O mixture allow the for…

Synthesis and Spectroscopic Characterization of Interstellar Candidate Ethynyl Thiocyanate: HCCSCN Open

Elena R. Alonso, Aran Insausti, Lucie Kolesníková, Íker León, Brett A. McGuire , et al. · 2024

This work aims to spectroscopically characterize and provide for the first time direct experimental frequencies of the ground vibrational state and two excited states of the simplest alkynyl thiocyanate (HCCSCN) for astrophysical use. Both…

Revealing the Structure of Sheer N-Acetylglucosamine, an Essential Chemical Scaffold in Glycobiology Open

Elena R. Alonso, Aran Insausti, Isabel Peña, Miguel Sanz‐Novo, Raúl Aguado , et al. · 2024

We explored the conformational landscape of N-acetyl-α-d-glucosamine (α-GlcNAc), a fundamental chemical scaffold in glycobiology. Solid samples were vaporized by laser ablation, expanded in a supersonic jet, and characterized by broadband …

Rotational Spectroscopy as a Tool to Characterize Sweet Taste: The Study of Dulcin Open

Gabriela Juarez, Elena R. Alonso, Raúl Aguado, Íker León · 2024

According to old theories of sweetness, the perception of sweet substances is closely linked to the arrangement of atoms within them. To assess the validity of these theories, we conducted an analysis of the structure of the artificial swe…

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

Sergio Mato, Santiago Mata, Elena R. Alonso, Íker León · 2024

6-Aminopenicillanic acid is a penicillanic acid compound and is the active nucleus common to all penicillins. Using laser ablation techniques, we transformed the solid into the gas phase and characterized its conformational panorama by com…

Shape and interactions of the synthetic repellent DEET Open

Otger Crehuet, Andrea Vázquez, Pablo Pinacho, Aran Insausti, Elena R. Alonso , et al. · 2024

Four conformations of the widely used insect repellent DEET have been observed in the gas phase by broadband microwave spectroscopy. The relative orientation of the alkyl chains provide flexibility resulting in a populated potential energy…

Structural effects of oxidation on sugars: glucose as a precursor of gluconolactone and glucuronolactone Open

Maider Parra Santamaria, Aran Insausti, Elena R. Alonso, Francisco J. Basterretxea, Emilio J. Cocinero · 2024

This atomic-resolution study reveals glucose changes due to oxidation, exploring key carbohydrate aspects like hydrogen bonding, ring-puckering, anomeric effect, and tautomeric selection. Results confirm mutarotation suppression in the gas…

SYNTHESIS AND SPECTROSCOPIC CHARACTERIZATION OF INTERSTELLAR CANDIDATE ALKYNYL THIOCYANATE: HCCSCN. Open

Elena R. Alonso, Aran Insausti, Lucie Kolesníková, Íker León, Jean‐Claude Guillemin · 2023

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FIRST MONOSACCHARIDE-WATER COMPLEX CAUGHT BY MICROWAVE SPECTROSCOPY Open

Elena R. Alonso, Emilio J. Cocinero · 2023

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

Vincenzo Barone, Marco Fusè, Raúl Aguado, Simone Potenti, Íker León , et al. · 2023

A combined experimental and theoretical study has been carried out on 4‐fluoro‐threonine, the only naturally occurring fluorinated amino acid. Fluorination of the methyl group significantly increases the conformational complexity with resp…

Rotational Spectroscopy as a Tool to Characterize Sweet Taste: The Study of Dulcin Open

Gabriela Juarez, Raúl Aguado, Íker León, Elena R. Alonso · 2023

A journey across dopamine Metabolism: A rotational study of DOPAC Open

Miguel Sanz‐Novo, Lucie Kolesníková, Aran Insausti, José L. Alonso, Íker León , et al. · 2022

DOPAC, a relevant scaffold in dopamine metabolism, was probed in the gas phase and interrogated by high-resolution rotational spectroscopy. Herein, three distinct conformers were isolated in a supersonic jet and identified for the first ti…

The eight structures of caffeic acid: a jet-cooled laser ablated rotational study Open

Gabriela Juárez, Miguel Sanz‐Novo, Raúl Aguado, José L. Alonso, Íker León , et al. · 2022

This work reports a complete conformational analysis of caffeic acid, an exceptionally versatile pharmacophore, using laser ablation chirped-pulse Fourier transform microwave spectroscopy.

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

Raúl Aguado, Santiago Mata, Miguel Sanz‐Novo, Elena R. Alonso, Íker León , et al. · 2022

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 di…

A Cross-Sectional Observational Study of the Relationship between Outdoor Exposure and Myopia in University Students, Measured by Conjunctival Ultraviolet Autofluorescence (CUVAF) Open

Valentina Bilbao‐Malavé, Jorge González‐Zamora, Elsa Gándara, Miriam de la Puente, Elena Escriche , et al. · 2022

Myopia is the most common refractive error worldwide. This cannot be explained by genetic factors alone, therefore, environmental factors may play an important role. Hence, the main objective of this study was to analyse whether outdoor ex…

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

Íker León, Marco Fusè, Elena R. Alonso, Santiago Mata, Giordano Mancini , et al. · 2022

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 quant…

THE CONFORMATIONAL PANORAMA OF D-PENICILLAMINE: A LASER ABLATION ROTATIONAL STUDY. Open

Diego Herreras, J. A. Alonso, Íker León, Elena R. Alonso · 2022

ROTATIONAL SPECTRUM AND CONFORMATIONAL ANALYSIS OF PERILLARTINE: INSIGHTS INTO THE STRUCTURE-SWEETNESS RELATIONSHIP Open

Gabriela Juárez, Íker León, Elena R. Alonso, J. A. Alonso, Miguel Sanz‐Novo · 2022

FLUORINATION AND DEOXYGENATION AS CHEMICAL TOOLS TO STUDY THE CONFORMATIONALPREFERENCES OF HEXOPYRANOSES: A JOURNEY FROM GAS PHASE TO SOLUTION Open

Emilio J. Cocinero, Omar Boutureira, Francisco Corzana, Francisco J. Basterretxea, Camilla Calabrese , et al. · 2022

UNVEILING THE EIGHT FORMS OF CAFFEIC ACID Open

Miguel Sanz‐Novo, J. A. Alonso, Santiago Mata, Íker León, Elena R. Alonso , et al. · 2022

THE JET-COOLED ROTATIONAL SPECTRUM OF N,N'-BIS(HYDROXYMETHYL)UREA AND ITS PHOTO-FRAGMENTED SPECIES Open

Lucie Kolesníková, J. A. Alonso, Elena R. Alonso, Íker León, Santiago Mata · 2022

THE NICOTINIC-AGONIST CYTISINE: THE ROLE OF THE NH···N INTERACTION Open

Raúl Aguado, J. A. Alonso, Íker León, Elena R. Alonso, Miguel Sanz‐Novo , et al. · 2022

We report a detailed structural study of cytisine, an\nalkaloid\nused to help with smoking cessation, looking forward to unveiling\nits role as a nicotinic agonist. High-resolution rotational spectroscopy\nhas allowed us to characterize tw…

UNDERSTANDING THE SHAPE OF β-D-ALLOSE: A LASER ABLATION ROTATIONAL STUDY. Open

Gabriela Juárez, Íker León, Elena R. Alonso, José Alonso, Santiago Mata · 2022

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