Search Results - "Insausti, Aran"
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Synthesis and Spectroscopic Characterization of Interstellar Candidate Ethynyl Thiocyanate: HCCSCN
Published in The Astrophysical journal (01-11-2024)“…This work aims to spectroscopically characterize and provide for the first time direct experimental frequencies of the ground vibrational state and two excited…”
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2
The SKA as a Prebiotic Molecule Detector
Published in Frontiers in astronomy and space sciences (15-03-2022)“…One of the theories for the origin of life proposes that a significant fraction of prebiotic material could have arrived to Earth from outer space between 4.1…”
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3
Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars
Published in ACS central science (26-02-2020)“…The constitution, configuration, and flexibility of the core sugars of DNA molecules alter their function in diverse roles. Conformational itineraries of the…”
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4
Phenyl-β-D-glucopyranoside and Phenyl-β-D-galactopyranoside Dimers: Small Structural Differences but Very Different Interactions
Published in Frontiers in physics (06-02-2018)“…We report a combination of laser spectroscopy in molecular jets and quantum mechanical calculations to characterize the aggregation preferences of…”
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5
Rotational Spectroscopy of 2‐Furoic Acid and Its Dimer: Conformational Distribution and Double Proton Tunneling
Published in Chemphyschem (20-06-2022)“…Structural and tunneling properties of the 2‐furoic acid (FA) monomer and dimer were investigated using rotational spectroscopy and DFT calculations. CREST, a…”
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6
The Effect of Hyperconjugation and Hydrogen Bonding on the Conformers of Methylated Monosaccharides
Published in Chemistry : a European journal (23-09-2024)“…The conformational landscapes of four 1-O-methylated monosaccharides-methyl a-glucose, methyl b-glucose, methyl a-galactose, and methyl b-galactose-were…”
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7
Rotation-tunneling spectra and barriers of isotopologues of 2,2,2-trifluoroethanol and 2,2,3,3,3-pentafluoropropanol
Published in Journal of molecular spectroscopy (01-07-2022)“…[Display omitted] •Assign rotation-tunneling spectra of two 13C isotopologues of trifluoroethanol.•Assign rotation-tunneling spectrum of the deuterated…”
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8
Structural effects of oxidation on sugars: glucose as a precursor of gluconolactone and glucuronolactone
Published in Chemical communications (Cambridge, England) (14-05-2024)“…Although structural information on sugars is wide, experimental studies on the oxidation products of sugars in the gas phase, free from solvent interactions,…”
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9
Wetting vs Droplet Aggregation: A Broadband Rotational Spectroscopic Study of 3‐Methylcatechol⋅⋅⋅Water Clusters
Published in Angewandte Chemie International Edition (26-10-2023)“…Two competing solvation pathways of 3‐methylcatechol (MC), an atmospherically relevant aromatic molecule, with up to five water molecules were explored in…”
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10
Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone
Published in The journal of physical chemistry letters (18-10-2018)“…Modern structural studies of biologically relevant molecules require an exhaustive interplay between experiment and theory. In this work, we present two…”
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11
Revealing the Structure of Sheer N‑Acetylglucosamine, an Essential Chemical Scaffold in Glycobiology
Published in The journal of physical chemistry letters (17-10-2024)“…We explored the conformational landscape of N-acetyl-α-d-glucosamine (α-GlcNAc), a fundamental chemical scaffold in glycobiology. Solid samples were vaporized…”
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12
Rotational spectroscopic studies of para-nitrobenzoic acid, para-aminobenzoic acid, para-chlorobenzoic acid, and para-hydroxybenzoic acid
Published in Journal of molecular spectroscopy (01-04-2023)“…[Display omitted] •Rotational spectra of para-substituted benzoic acids.•Barriers to trans–cis conversion from density functional theory.•14N, 35Cl, and 37Cl…”
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13
A journey across dopamine Metabolism: A rotational study of DOPAC
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05-04-2023)“…[Display omitted] •DOPAC (3-dihydroxyphenylacetic acid) is a relevant scaffold in dopamine metabolism.•DOPAC was transferred in the gas phase and probed by…”
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14
Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium
Published in The journal of physical chemistry letters (04-02-2021)“…Rotational spectroscopy provides the most powerful means of identifying molecules of biological interest in the interstellar medium (ISM), but despite their…”
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15
Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition
Published in Journal of the American Chemical Society (08-08-2018)“…The tumor-associated carbohydrate Tn antigens include two variants, αGalNAc-O-Thr and αGalNAc-O-Ser. In solution, they exhibit dissimilar shapes and dynamics…”
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16
Sugar-peptidic bond interactions: spectroscopic characterization of a model system
Published in Physical chemistry chemical physics : PCCP (2017)“…Sugars are small carbohydrates which play numerous roles in living organisms such as storage of energy or as structural components. Modifications of specific…”
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17
Wetting vs Droplet Aggregation: A Broadband Rotational Spectroscopic Study of 3‐Methylcatechol⋅⋅⋅Water Clusters
Published in Angewandte Chemie (26-10-2023)“…Two competing solvation pathways of 3‐methylcatechol (MC), an atmospherically relevant aromatic molecule, with up to five water molecules were explored in…”
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18
Understanding the role of tyrosine in glycogenin
Published in Molecular bioSystems (22-08-2017)“…We explored the molecular basis of tyrosine as the docking amino acid for the first glucose molecule during the synthesis of glycogen. The IR spectra show that…”
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19
Synthesis and Spectroscopic Characterization of Interstellar Candidate Ethynyl Thiocyanate: HCCSCN
Published 18-11-2024“…Elena R. Alonso et al 2024 ApJ 976 95 This work aims to spectroscopically characterize and provide for the first time direct experimental frequencies of the…”
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20
The SKA as a prebiotic molecule detector
Published 01-03-2022“…One of the theories for the origin of life proposes that a significant fraction of prebiotic material could have arrived to Earth from outer space between 4.1…”
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