Publicaciones en colaboración con investigadores/as de King's College London (42)

2022

  1. Competition between In-Plane vs Above-Plane Configurations of Water with Aromatic Molecules: Non-Covalent Interactions in 1,4-Naphthoquinone-(H2O)1-3Complexes

    Journal of Physical Chemistry Letters, Vol. 13, Núm. 40, pp. 9510-9516

  2. The Shapes of Sulfonamides: A Rotational Spectroscopy Study

    Molecules, Vol. 27, Núm. 9

2021

  1. Drug reformulation for a neglected disease. The nanohat project to develop a safer more effective sleeping sickness drug

    PLoS Neglected Tropical Diseases, Vol. 15, Núm. 4

  2. Geminal Diol Formation from the Interaction of a Ketone with Water in the Gas Phase: Structure and Reactivity of Cyclooctanone-(H2O)1,2 Clusters

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 51, pp. 12419-12425

  3. Morphology of bile salts micelles and mixed micelles with lipolysis products, from scattering techniques and atomistic simulations

    Journal of Colloid and Interface Science, Vol. 587, pp. 522-537

  4. New Insights into Secondary Organic Aerosol Formation: Water Binding to Limonene

    Journal of Physical Chemistry Letters, Vol. 12, Núm. 3, pp. 1081-1086

  5. Solubilisation of salicylate in F127 micelles: Effect of pH and temperature on morphology and interactions with cyclodextrin

    Journal of Molecular Liquids, Vol. 322

  6. The role of conserved residues in the DEDDh Motif: The proton-Transfer mechanism of HIV-1 RNase H

    ACS Catalysis, Vol. 11, pp. 7915-7927

2020

  1. Antibiotic-in-Cyclodextrin-in-Liposomes: Formulation Development and Interactions with Model Bacterial Membranes

    Molecular pharmaceutics, Vol. 17, Núm. 7, pp. 2354-2369

  2. Binding Site Switch by Dispersion Interactions: Rotational Signatures of Fenchone–Phenol and Fenchone–Benzene Complexes

    Chemistry - A European Journal, Vol. 26, Núm. 49, pp. 11327-11333

  3. Spatio-temporal assessment of illicit drug use at large scale: evidence from 7 years of international wastewater monitoring

    Addiction, Vol. 115, Núm. 1, pp. 109-120

  4. Structural Changes Induced by Quinones: High-Resolution Microwave Study of 1,4-Naphthoquinone

    ChemPhysChem, Vol. 21, Núm. 23, pp. 2579-2584

2019

  1. Medium-sized rings: Conformational preferences in cyclooctanone driven by transannular repulsive interactions

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 8, pp. 4331-4338

  2. The role of secondary interactions on the preferred conformers of the fenchone-ethanol complex

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 6, pp. 2938-2945

2018

  1. Multi-year inter-laboratory exercises for the analysis of illicit drugs and metabolites in wastewater: Development of a quality control system

    TrAC - Trends in Analytical Chemistry, Vol. 103, pp. 34-43

  2. The Multiple Hydrogen-Bonding Networks of Polyol Ribitol

    Chemistry - A European Journal, Vol. 24, Núm. 51, pp. 13408-13412

2017

  1. Ethanol dimer: Observation of three new conformers by broadband rotational spectroscopy

    Journal of Molecular Spectroscopy, Vol. 335, pp. 93-101

  2. Insights into functions of the H channel of cytochrome c oxidase from atomistic molecular dynamics simulations

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 114, Núm. 48, pp. E10339-E10348

2016

  1. Competitive and Synergistic Interactions between Polymer Micelles, Drugs, and Cyclodextrins: The Importance of Drug Solubilization Locus

    Langmuir, Vol. 32, Núm. 49, pp. 13174-13186

  2. Intramolecular interactions in the polar headgroup of sphingosine: Serinol

    Chemical Communications, Vol. 52, Núm. 18, pp. 3615-3618