PUBLICATIONS

Research and Discovery Publications in Physical Chemistry

2026
Enhanced conformational complexity by mono-chlorination: The case of 3-chloropropane-1,2-diol
Hartwig,B.; Alonso,E.R.; Insausti,A.; Cocinero,E.J.; Schnell,M.; Obenchain,D.A.
Detection of a four-carbon sugar in interstellar space
Jiménez-Serra,I.; García de la Concepción,J.; Cuppen,H.M.; Rey-Montejo,M.; Sanz-Novo,M.; Rivilla,V.M.; Martín-Pintado,J.; Megías,A.; Briones,C.; San Andrés,D.; Colzi,L.; Zeng,S.; Martín,S.; Salaris,J.; Martínez-Henares,A.; López-Gallifa,Á.; Requena-Torres,M.A.; Tercero,B.; de Vicente,P.; Insausti,A.; Alonso,E.R.; Cocinero,E.J.
Electrospun Polyurethane-Based Nanofibrous Membranes Functionalized with UiO-66-NH2 for Water Remediation
Martinez,P.; Fernández de Luis,R.; Sáiz,J.; Laza,J.M.; Salazar,H.; Gutiérrez,A.; Alonso,R.M.; Fernández,J.A.; Lanceros-Mendez,S.; Veloso-Fernández,A.
Overcoming the detection limit of GMR sensors using disk-shaped nanostructures
Diez-Martin,E.; Redondo,C.; Albuquerque,D.; Solozabal,I.; Doménech,D.; Cardoso,S.; Astigarraga,E.; Ramirez-Garcia,A.; Morales,R.; Barreda-Gómez,G.
Hybrid Au nanodisk–nanohole photonic crystals fabricated by laser interference lithography for large-scale, reproducible-performance, low-power and fast-sensing SERS platforms
Roa,S.; Redondo,C.; Pedano,M.L.; Sirena,M.; Morales,R.
Fluorination switches CO–arene binding to a π-hole regime, enabling nonclassical carbonyl behaviour
Usabiaga,I.; Li,W.; Calabrese,C.; Altun,A.; Maris,A.; Melandri,S.; Bistoni,G.; Evangelisti,L.
Probing the selectivity of theophylline toward cytosine and adenine: Insights from gas-phase complexes and DFT calculations
Santamaria,M.P.; Calabrese,C.; Melandri,S.; Fernández,J.A.; Camiruaga,A.; Usabiaga,I.
Understanding the Influence of a Water Molecule in the Structure of a Dimer
Torres-Hernández,F., Pinillos,P., Camiruaga,A., Usabiaga,I., Fernández,J.A.
Characterization of the Lipidome of Neurons in Mouse Brain Nuclei Using Imaging Mass Spectrometry
Huergo,C., de las Heras-García,L., Razquin,J., Rueda,Y., Miguélez,C., Fernández,J.A.
Photoionization of Aromatic Chromophores in Aqueous Medium by Near-UV Single Photon Absorption
Lamas,I., Longarte,A.
Laboratory rotational spectroscopy and interstellar search for the protein precursor 4-oxobutanenitrile (HCOCH2CH2CN)
Alonso,E.R., Insausti,A., Basterretxea,F.J., Cocinero,E.J.
2025
Interdiffusion and Crystallinity Effect in All-Optical Switching Phenomenon in Co/Pt Multilayers
Villar,A.; Domenech,D.; Montero,R.; Devishvili,A.; Morales,R.; Vavassori,P.; Porro,J.M.
Stepwise Hydration Reveals Conformational Switching in Chiral Prolinol
Loru,D.; Alonso,E.R.; Insausti,A.; Pérez,C.; Evangelisti,L.; Asensio,J.L.; Corzana,F.; Pate,B.H.; Cocinero,E.J.; Sanz,M.E.
Enhancing perpendicular magnetic anisotropy and magneto-optical signal of electron beam evaporated [Co/Pt]1 and [Co/Pt]2 thin films
Doménech,D.; Villar,A.; Redondo,C.; Río-López,N.A.; Porro,J.M.; Morales,R.
To image or not to image: Use of imaging mass spectrometry in biomedical lipidomics
Huergo, C., Calvo, I., Fernández, J.A.
Spatial expression of fibroblast activation protein-α in clear cell renal cell carcinomas revealed by multiplex immunoprofiling analysis of the tumor microenvironment
Larrinaga, G., Loizaga-Iriarte, A., Santos-Martín, A., Fernández, J.A.
Lipid imaging mass spectrometry: Towards a new molecular histology
Fresnedo, O., Mosteiro, L., Larrinaga, G., Fernández, J.A.
Challenges and Advantages of Using Spatially Resolved Lipidomics to Assess the Pathological State of Human Lung Tissue
Calvo,I., Garate,J., Fernández,J.A.
Hydrogen-bond-assisted conformational selection of picaridin in the gas phase
Crehuet,O., Vázquez,A., Basterretxea,F.J., Pinacho,P., Cocinero,E.J.
Relaxation dynamics of aniline in methanol: the photoionization channel
Lamas,I., Fernández-Fernández,M., Longarte,A.
Influence of NH⋯N and OH⋯N hydrogen bonds in the aggregation of flexible molecules: A combined experimental and computational study
Torres-Hernández,F., Pinillos,P., Camiruaga,A., Usabiaga,I., Fernández,J.A.
2024
Lipid signature associated with chronic colon inflammation reveals a dysregulation in colonocyte differentiation process
Martín-Saiz, L., Martín, J., Fernández, J.A.
Lipid fingerprint-based histology accurately classifies nevus, primary melanoma, and metastatic melanoma samples
Huergo-Baños, C., Garate, J., Martín-Allende, J., Asumendi, A., Astigarraga, E., Barreda-Gómez, G., Fresnedo, O., Ochoa, B., Boyano, M.D., Fernández, J.A.
Combining imaging mass spectrometry and immunohistochemistry to analyse the lipidome of spinal cord inflammation
Calvo, I., Montilla, A., Huergo, C., Martín-Saiz, L., Martín-Allende, J., Tepavcevic, V., Domercq, M., Fernández, J.A.
Structural effects of oxidation on sugars: glucose as a precursor of gluconolactone and glucuronolactone
Parra-Santamaria, M., Insausti, A., Alonso, E.R., Basterretxea, F.J., Cocinero, E.J.
Shape and interactions of the synthetic repellent DEET
Crehuet, O., Vázquez, A., Pinacho, P., Insausti, A., Alonso, E.R., Basterretxea, F.J., Cocinero, E.J.
Exploring atmospheric nucleation processes: Hydration and fluoroalcoholic complexation of pyruvic acid
Vázquez, A., Pinacho, P., Parra-Santamaría, M., Basterretxea, F.J., Cocinero, E.J.
Solar Gas-Phase CO2 Hydrogenation by Multifunctional UiO-66 Photocatalysts
Longarte, A., Martínez-Martínez, V.
Photodynamics of azaindoles in polar media: the influence of the environment
Lamas, I., Martínez-Martínez, V., Longarte, A.
Vortex-state in Iron Nanodisks: Formation and Response in Water Solutions
Solozabal, I., Zurbano, R., Redondo, C., Benedicto, A., Morales, R.
Vortex Nanodiscs Functionalization to Overcome Macrophage Recognition for Efficient Theragnosis Applications
Navas, D., Redondo, C., Morales, R.
Melanoma Cell Internalization of Spin-Vortex Nanodisks for Cancer Treatment
Zurbano, R., Redondo, C., Solozabal, I., Boyano, M.D., Morales, R.
Au nanodisks-based 2D photonic crystals fabricated by single-beam laser interference lithography: A simple and reliable alternative for highly efficient large-scale SERS molecular sensors
Redondo, C., Maguregui, M., Morales, R.
Exploration of carvacrol aggregation by laser spectroscopy
Pinillos, P., Torres-Hernández, F., Usabiaga, I., Pinacho, P., Fernández, J.A.
Unveiling the conformational diversity of succinic acid: Insights from IR spectroscopy and quantum chemical calculations
Camiruaga, A.
Mixing water, sugar, and lipid: Conformations of isolated and micro-hydrated glycolipids in the gas phase
Camiruaga, A.
Competition between O-H and S-H Intermolecular Interactions in Conformationally Complex Systems: The 2-Phenylethanethiol and 2-Phenylethanol Dimers
Torres-Hernández, F., Pinillos, P., Camiruaga, A., Usabiaga, I., Fernández, J.A.
Aspartame and Its Microhydrated Aggregates Revealed by Laser Spectroscopy: Water-Sweetener Interactions in the Gas Phase
Pinillos, P., Camiruaga, A., Torres-Hernández, F., Usabiaga, I., Fernández, J.A.
2023
Influence of H-bonds on the photoionization of aromatic chromophores in water: The aniline molecule
Lamas, I.; González, J.; Longarte, A.; Montero, R.
Tracking ultrafast dynamics by sub-20-fs UV pulses generated in the lab open atmosphere
Conde, Á.P.; Lamas, I.; Albaneda, M.S.; Méndez, C.; Longarte, A.; Montero, R.
Nanoegiturazko biomaterial magnetikoen aplikazioa ehun-ingeniaritzan
Izaro Solozabal; Raquel Zurbano; Maria Dolores Boyano; Beatriz Arteta; Aitor Benedicto; Carolina Redondo; Rafael Morales; Olatz Arbelaiz Gallego; Ainhoa Latatu; Elixabete Pérez Gaztelu
Fotobabesleen eraginkortasuna aztertzen laser espektroskopiaren bidez
Iker Lamas Frejo; Raúl Montero; Maider Parra; Ander Camiruaga; Imanol Usabiaga; Asier Longarte; Olatz Arbelaiz Gallego; Ainhoa Latatu; Elixabete Pérez Gaztelu
rMSIfragment: improving MALDI-MSI lipidomics through automated in-source fragment annotation
Martín-Saiz, L., Fernández, J.A.
Using the Synergy between HPLC-MS and MALDI-MS Imaging to Explore the Lipidomics of Clear Cell Renal Cell Carcinoma
Martín-Saiz, L., Solano-Iturri, J.D., Mosteiro, L., Martín-Allende, J., Rueda, Y., Unda, M., Ochoa, B., Fresnedo, O., Larrinaga, G., Fernández, J.A.
Probing the conformational behaviour of the α-C-Man-Trp in aqueous solution
Usabiaga, I., Cocinero, E.J.
Spatially Resolving the Magnetic Configuration of Trilayer Submicrometer Disks with Vortex Chiral Asymmetry Using X-Ray Resonant Magnetic Scattering
Montoya, I., Redondo, C., Morales, R.
Elucidating Mechanotransduction Processes During Magnetomechanical Neuromodulation Mediated by Magnetic Nanodiscs
Redondo, C., Zurbano, R., Morales, R.
Rotational Spectroscopy Probes Lone Pair···π-Hole Interactions in Hexafluorobenzene-Tertiary Alkylamines Complexes
Usabiaga, I., Calabrese, C.
Conformationally Restricted β-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates
Usabiaga, I., Cocinero, E.J.
Isotopic dependence of intramolecular and intermolecular vibrational couplings in cooperative hydrogen bond networks: singly hydrated phenyl-α-d-mannopyranoside as a case study
Camiruaga, A.
Exploring the interaction sites in glucose and galactose using phenol as a probe
Pinillos, P., Camiruaga, A., Torres-Hernández, F., Basterrechea, F.J., Usabiaga, I., Fernández, J.A.
Aggregation of nucleobases and metabolites: Adenine-theobromine trimers
Camiruaga, A., Usabiaga, I., Pinillos, P., Basterretxea, F.J., Fernández, J.A.
A Competition between Relative Stability and Binding Energy in Caffeine Phenyl-Glucose Aggregates: Implications in Biological Mechanisms
Calabrese, C., Camiruaga, A., Parra-Santamaria, M., Usabiaga, I., Fernandez, J.A.
2022
Ferrostatin-1 modulates dysregulated kidney lipids in acute kidney injury
Martín-Saiz, L., Fresnedo, O., Fernandez, J.A.
Magneto Twister: Magneto Deformation of the Water-Air Interface by a Superhydrophobic Magnetic Nanoparticle Layer
Gunatilake, U.B., Morales, R., Basabe-Desmonts, L., Benito-Lopez, F.
MAGNETO TWISTER: STABLE DROPLET MANIPULATION SYSTEM
Redondo, C., Lasheras, A., Morales, R.
The SKA as a Prebiotic Molecule Detector
Insausti, A., Alonso, E.R., Cocinero, E.J.
Fluorination and deoxygenation as chemical tools to study the conformational preferences of hexopyranoses: a journey from gas phase to solution
Calabrese, C., Uriarte, I., Cocinero, E.J.
Bond Length Alternation and Internal Dynamics in Model Aromatic Substituents of Lignin
Calabrese, C., Uriarte, I., Cocinero, E.J.
Halogen-free photosensitizers based on meso-enamine-BODIPYs for bioimaging and photodynamic therapy
Prieto-Montero, R., Prieto-Castañeda, A., Longarte, A., Martínez-Martínez, V.
Wireless Force-Inducing Neuronal Stimulation Mediated by High Magnetic Moment Microdiscs
Redondo, C., Zurbano, R., Morales, R.
Unusual Magnetic Hysteresis and Transition between Vortex and Double Pole States Arising from Interlayer Coupling in Diamond-Shaped Nanostructures
Redondo, C., Morales, R.
Competition of Magnetic Anisotropies in Permalloy Antidot Lattices
Redondo, C., Lasheras, A., Morales, R.
AFM nanoindentation-based mechanical investigation of 3D confinement effects on nanoarchitectonic arrays of Ag nanodisks
Redondo, C., Morales, R.
Structure and dynamics of methacrylamide, a computational and free-jet rotational spectroscopic study
Calabrese, C., Usabiaga, I.
The evolution towards cyclic structures in the aggregation of aromatic alcohols: the dimer, trimer and tetramer of 2-phenylethanol
Camiruaga, A., Torres-Hernández, F., Usabiaga, I., Fernández, J.A.
Microhydration of Phenyl Formate: Gas-Phase Laser Spectroscopy, Microwave Spectroscopy, and Quantum Chemistry Calculations
Usabiaga, I., Camiruaga, A., Fernández, J.A.
Exploring the Influence of Intermolecular Interactions in Prebiotic Chemistry Using Laser Spectroscopy and Calculations
Camiruaga, A., Usabiaga, I., Calabrese, C., Lamas, I., Basterretxea, F.J., Fernández, J.A.
2021
Material solidoen deskonposizio termikoan igortzen diren molekula txikien determinazioa mikrouhin-espektroskopiaren bidez
Insausti, Aran 1; Usabiaga, Imanol 1; Parra, Maider 1; Camiruaga, Ander 1; Calabrese, Camilla 1; Cocinero, Emilio J. 1
Rovibronic signatures of molecular aggregation in the gas phase: Subtle homochirality trends in the dimer, trimer and tetramer of benzyl alcohol
Medel, R.; Camiruaga, A.; Saragi, R.T.; Pinacho, P.; Pérez, C.; Schnell, M.; Lesarri, A.; Suhm, M.A.; Fernández, J.A.
Isolamendu molekularrean oinarritutako gas faseko espektroskopiaren abantailak antrazenoan oinarritutako polimeroaren karakterizazioan
Parra, M. 1; Usabiaga, I. 1; Insausti, A. 1; Camiruaga, A. 1; Veloso, A. 1; Basterretxea, F. J. 1
Biomolekulen elkarrekintzak eta fotofisika aztertzen laser espektroskopiaren bidez
Iker Lamas Frejo; Ander Camiruaga Leza; Maider Parra Santamaría; Imanol Usabiaga Gutiérrez; Raul Montero Santos; Olatz Arbelaiz Gallego (ed. lit.); Ainhoa Latatu (ed. lit.); Miren Josu Omaetxebarria Ibarra (ed. lit.); Blanca Urgell Lázaro (ed. lit.)
Zientziak eta Natura Zientziak: IV. Ikergazte Nazioarteko Ikerketa Euskaraz : 2021eko ekainaren 9, 10 eta 11 Gasteiz, Euskal Herria.
Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium
Insausti, A., Alonso, E.R., Calabrese, C., Cocinero, E.J.
Viewpoint Regarding "singlet Fission Mediated Photophysics of BODIPY Dimers"
Martínez-Martínez, V., Longarte, A., Epelde-Elezcano, N., Lamas, I.
Revisiting the Spectroscopy of Water Dimer in Jets
León, I., Longarte, A., Fernández, J.A.
Influence of coherent adiabatic excitation on femtosecond transient signals
Peralta Conde, A., Longarte, A.
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
Calabrese, C., Usabiaga, I., Basterretxea, F.J., Cocinero, E.J.
Characterizing the lone pair⋯π-hole interaction in complexes of ammonia with perfluorinated arenes
Usabiaga, I., Calabrese, C.
2020
Toward the RNA-World in the Interstellar Medium - Detection of Urea and Search of 2-Amino-oxazole and Simple Sugars
Cocinero, E.J.
Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars
Calabrese, C., Uriarte, I., Insausti, A., Vallejo-López, M., Basterretxea, F.J., Cocinero, E.J.
Halogen bond and internal dynamics in the σ–complex of pyridine-chlorotrifluoromethane: A rotational study
Vallejo López, M., Cocinero, E.J.
Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben
Insausti, A., Calabrese, C., Parra, M., Usabiaga, I., Vallejo-López, M., Écija, P., Basterretxea, F.J., Cocinero, E.J.
An nπ∗ gated decay mediates excited-state lifetimes of isolated azaindoles
Lamas, I., Martínez-Martínez, V., Longarte, A.
Magnetic nanostructures for emerging biomedical applications
Navas, D., Redondo, C., Morales, R.
Layer-dependence of macroscopic and atomic magnetic correlations in Co/Pd multilayers
Soriano, N., Mora, B., Redondo, C., Montoya, I., Morales, R.
Enhanced positive and negative exchange bias in FeF2/Ni with dusted interfaces
Montoya, I., Redondo, C., Morales, R.
Chiral asymmetry detected in a 2D array of permalloy square nanomagnets using circularly polarized X-ray resonant magnetic scattering
Redondo, C., Morales, R.
Exploration of the theobromine-water dimer: comparison with DNA microhydration
Usabiaga, I., Camiruaga, A., Veloso, A., Fernández, J.A.
2019
Experimental evaluation of perfluorocarbon aerosol generation with two novel nebulizer prototypes
Aramendia, I., Fernandez-Gamiz, U., Lopez-Arraiza, A., Basterretxea, F.J., Sancho, J., Gomez-Solaetxe, M.A.
Conformational Behavior of D-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies
Calabrese, C., Écija, P., Vallejo-López, M., Parra, M., Basterretxea, F.J., Jiménez-Barbero, J., Cocinero, E.J.
Bond Length Alternation Observed Experimentally: The Case of 1H-Indazole
Uriarte, I., Calabrese, C., Cocinero, E.J.
A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2F2)n⋅⋅⋅(H2O)m
Calabrese, C., Uriarte, I., Cocinero, E.J.
Photophysical characterization of new and efficient synthetic sunscreens
Lamas, I., Longarte, A.
Methylthio BODIPY as a standard triplet photosensitizer for singlet oxygen production: A photophysical study
Prieto-Montero, R., Sola-Llano, R., Longarte, A., Arbeloa, T., López-Arbeloa, I., Martínez-Martínez, V.
Excited state dynamics of aniline homoclusters
Lamas, I., León, I., Fernández, J.A., Longarte, A.
Dynamics of Pyrroles Excited to the 3s/Ïσ∗ State
Lamas, I., Longarte, A., Peralta Conde, A.
Magnetic properties of permalloy antidot array fabricated by interference lithography
Redondo, C., Morales, R., Navas, D.
2018
Rotational spectroscopy update for the newly identified atmospheric ozone depleter CF3CCl3
Uriarte, I., Basterretxea, F.J., Cocinero, E.J.
Experimental and numerical modeling of aerosol delivery for preterm infants
Aramendia, I., Fernandez-Gamiz, U., Lopez-Arraiza, A., Basterretxea, F.J., Sancho, J., Gomez-Solaetxe, M.A.
Singlet Fission Mediated Photophysics of BODIPY Dimers
Martínez-Martínez, V., Longarte, A., Epelde-Elezcano, N., Lamas, I., Manzano, H., López Arbeloa, I.
Cost-Effective Design of High-Magnetic Moment Nanostructures for Biotechnological Applications
Mora, B., Perez-Valle, A., Redondo, C., Boyano, M.D., Morales, R.
2017
N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine
Vallejo-López, M., Écija, P., Basterretxea, F.J., Cocinero, E.J.
Computational characterization of aerosol delivery for preterm infants
Uriarte, I., Ecija, P., Basterretxea, F.J., Cocinero, E.J.
Comprehensive rotational spectroscopy of the newly identified atmospheric ozone depleter CF3CH2Cl
Uriarte, I., Ecija, P., Basterretxea, F.J., Cocinero, E.J.
Interference lithography with functional block copolymer blends: Hierarchical structuration and anisotropic wetting
Laza, J.M., Navas, D., Soriano, N., Redondo, C., Vilas, J.L.
2016
Triplet Mediated C-N Dissociation versus Internal Conversion in Electronically Excited N-Methylpyrrole
Ovejas, V., Fernández-Fernández, M., Longarte, A.
On the ultrashort lifetime of electronically excited thiophenol
Ovejas, V., Fernández-Fernández, M., Longarte, A.
Femtosecond Excited State Dynamics of Size Selected Neutral Molecular Clusters
León, I., Fernández, J.A., Longarte, A.
2015
First monosaccharide-water complexes captured by laser ablation microwave spectroscopy
León, I., Longarte, A., Fernández, J.A.
Influence of dispersive forces on the final shape of a reverse micelle
León, I., Longarte, A., Fernández, J.A.
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