Faculty of Chemical Sciences

PUBLICATIONS

 

September-December 2019

 

• Akanno, A., Guzmán, E., Fernández-Peña, L., Ortega, F., & Rubio, R. G. (2019). Surfactant-Like Behavior for the Adsorption of Mixtures of a Polycation and Two Different Zwitterionic Surfactants at the Water/Vapor Interface. Molecules, 24, 3442.
• Alcolea Palafox, M., Milton Franklin Benial, A., & Rastogi, V. K. (2019). Biomolecules of 2 Thiouracil, 4-Thiouracil and 2,4-Dithiouracil: A DFT Study of the Hydration, Molecular Docking and Effect in DNA:RNAMicrohelixes. Int. J. Mol. Sci., 20, 3477.
• Beltrán-Heredia, E., Tsai, F-C., Salinas-Almaguer, S., Cao, F. J., Bassereau, P., & Monroy, F. (2019). Membrane curvature induces cardiolipin sorting. Commun. Biol., 2, 225.
• Bermudez-Garcia, J. M., Garcia-Fernandez, A., Andrada-Chacon, A., Sanchez-Benitez, J., Ren, W., Hu, S. B., Gu, T., Xiang, H. J., Biczysko, M., Castro-Garcia, S., Sanchez-Andujar, M., Stroppa, A., & Senaris-Rodriguez, M. A. (2019). Pressure-induced reversible framework rearrangement and increased polarization in the polar [NH4][Cd(HCOO)(3)] hybrid perovskite. Inorg. Chem. Front., 6, 2379.
• Blanco-Gutierrez, V., Andrada-Chacon, A., Sanchez-Benitez, J., Urones-Garrote, E. , Saez-Puche, R., & Torralvo-Fernandez, M. J. (2019) Superparamagnetic Behavior at Room Temperature through Crystal Chemistry Modification and Particle Assembly Formation: Zinc and Nickel Ferrite Systems. J. Phys. Chem. C, 123, 6973.
• Chang, B. Y., Shin, S., Gonzalez-Vazquez, J.,  Martin, F., Malinovsky, V. S., & Sola, I. R. (2019). Control defeasance by anti-alignment in the excited state. Phys. Chem. Chem. Phys., 21, 23620.
• Chang, B. Y., Shin, S., Malinovsky, V. S., & Sola, I. R. (2019). Grid-Based Ehrenfest Model To Study Electron–Nuclear Processes. J. Phys. Chem. A, 123, 7171.
• Chicharro, D. V., Marggi Poullain, S., Bañares, L.; Rafn Hrodmarsson, H., García, G. A., &  Loison, J.-Ch. (2019). Threshold photoelectron spectrum of the CH2OO Criegee intermediate. Phys. Chem. Chem. Phys., 21, 12763.
• Chicharro, D. V., Marggi Poullain, S., Rubio-Lago, L., & Bañares, L. (2019). Photodissociation dynamics and stereodynamics of methyl mercaptan and dimethyl sulfide from the second absorption band at 201 and 210 nm. J. Phys. Chem. A, 123, 5849.
• Chicharro, D. V., Marggi Poullain, S., Zanchet, A., Bouallagui, A., Senent, M. L., García-Vela, A., Rubio-Lago, L., &  Bañares L. (2019). Site-specific hydrogen-atom elimination in photoexcited ethyl radical. Chem. Sci., 10, 6494.
• de la Fuente-Herreruela, D., Monnappa, A. K., Muñoz-Úbeda, M., Morallón-Piña, A., Enciso, E., Sánchez, L., Giusti, F., Natale, P., & López-Montero. I. (2019). Lipid–peptide bioconjugation through pyridyl disulfide reaction chemistry and its application in cell targeting and drug delivery. J. Nanobiotechnology, 17, 77.
• Díaz-Núñez, P., García-Martín, J. M., Ujué González, M., González-Arrabal, R., Rivera, A., Alonso-González, P., Martín-Sánchez, J., Taboada-Gutiérrez, J., González-Rubio, G., Guerrero-Martínez, A., Bañares, L., & Peña-Rodríguez, O. (2019). On the large near-field enhancement on nanocolumnar gold substrates. Sci. Rep., 9, 13933.
• Especial, J., Nunes, A., Rey, A., & Faísca, P. F. N. (2019). Hydrophobic confinement modulates thermal stability and assists knotting in the folding of tangled proteins. Phys. Chem. Chem. Phys., 21, 11764.
• Espinosa, J. R., Garaizar, A., Vega, C., Frenkel, D., & Collepardo-Guevara, R. (2019). Breakdown of the law of rectilinear diameter and related surprises in the liquid-vapor coexistence in systems of patchy particles. J. Phys. Chem., 150, 224510.
• Espinosa, J. R., Vega, C., Valeriani, C., Frenkel, D., & Sanz, E. (2019) Heterogeneous versus homogeneous crystal nucleation of hard spheres. Soft Matter, doi: 10.1039/C9SM01142K.
• Fernández-Peña, L., Guzmán, E., Leonforte, F.,  Serrano-Pueyo, A., Regulski, K., Tournier-Couturier, L., Ortega, F., Rubio, R. G., & Luengo. G. S. (2019). Effect of molecular structure of eco-friendly glycolipid biosurfactants on the adsorption of hair-care conditioning polymers. Colloids Surf, B Biointerfaces, doi: 10.1016/j.colsurfb.2019.110578.
• González-Rubio, G., Kumar, V., Llombart, P., Díaz-Núñez, P., Bladt, E., Altantzis, T., Bals, S., Peña-Rodríguez, O., Noya, E. G., MacDowell, L. G., Guerrero-Martínez, A., & Liz-Marzán, L. M. (2019). Disconnecting Symmetry Breaking from Seeded Growth for the Reproducible Synthesis of High Quality Gold Nanorods. ACS Nano, 13, 4424.
• Guzmán, E., Llamas, S., Fernández-Peña, L., Léonforte, F., Baghdadli, N., Cazeneuve, C., Ortega, F., Rubio, R. G., & Luengo, G. S. (2019). Effect of a natural amphoteric surfactant in the bulk and adsorption behavior of polyelectrolyte-surfactant mixtures. Colloids Surf., A Physicochem. Eng. Asp., doi: 10.1016/j.colsurfa.2019.124178.
• Heid, C. G., Walpole, V., Brouard, M., Jambrina, P. G., & Aoiz, F. J. (2019). Side-impact collisions of Ar with NO. Nature Chem., 11, 662.
• Jambrina, P. G., Croft, J. F. E., Guo, H., Brouard, M., Balakrishnan, N., & Aoiz, F. J. Stereodynamical control of a quantum scattering resonance in cold molecular collisions. Phys. Rev. Lett., 123, 043401.
• Jambrina, P. G., González-Sánchez, L., Aldegunde, J., Saez-Rábanos, V., & Aoiz, F. J. (2019). Competing dynamical mechanisms in inelastic collisions of H + HF. J. Phys. Chem. A, 123, 9079.
• Llombart, P., Alcolea Palafox, M., MacDowell, L. G., & Noya, E. G. (2019). Structural transitions and bilayer formation of CTAB aggregates. Colloids Surf., A Physicochem. Eng. Asp., 580, 123730.
• Llombart, P., Bergua, R. M., Noya, E. G., & MacDowell, L. G. (2019). Structure and water attachment rates of ice in the atmosphere: role of nitrogen. Phys. Chem. Chem. Phys., 21, 19594.
• Lobato, A., Osman, H. H., Salvado, M. A. Taravillo, M., Baonza, V. G., & Recio, J. M. (2019). Chemical pressure-chemical knowledge: squeezing bonds and lone pairs within the valence shell electron pair repulsion model. Chem. Phys. Phys. Chem., 21, 12585.
• Marggi Poullain, S., Chicharro, D. V., Zanchet, A., Rubio-Lago, L., García-Vela, A., & Bañares, L. (2019). The 3s versus 3p Rydberg state photodissociation dynamics of the ethyl radical. Phys. Chem. Chem. Phys., 21, 23017.
• Martínez-Pedrero, F., Ortega, F., Codina, J., Calero, C., & Rubio, R. G. (2019). Controlled disassembly of colloidal aggregates confined at fluid interfaces using magnetic dipolar interactions. J. Colloid Interface Sci., doi: 10.1016/j.jcis.2019.10.008.
• Mateos‐Maroto, A., Ortega, F., Rubio, R. G., Berret, J-F., & Martínez‐Pedrero, F. (2019). Giant Vesicles with Encapsulated Magnetic Nanowires as Versatile Carriers, Transported via Rotating and Nonhomogeneous Magnetic Fields. Part. Syst. Char., 36, 1900239.
• Montero de Hijes, P., Espinosa, J. R., Sanz, E., & Vega, C. (2019) Interfacial free energy of a liquid-solid interface: Its change with curvature. J. Chem. Phys., 151, 144501.
• Montero de Hijes, P., Espinosa, J. R., Vega, C., & Sanz, E. (2019). Ice growth rate: Temperature dependence and effect of heat dissipation. J. Chem. Phys., 151, 044509.
• Montoro, O. R., Tortajada, J., Lobato, A. Baonza, V. G., & Taravillo, M. (2019). Theoretical (DFT) and experimental (Raman and FTIR) spectroscopic study on communic acids, main components of fossil resins. Spectrochim. Acta A Mol. Biomol. Spectrosc., doi: 10.1016/j.saa.2019.117405.
• Muñoz-Úbeda, M., Tolosa-Díaz, A., Bhattacharya, S., Junquera, E., Aicart, E., Natale, P., & López-Montero, I. (2019). Gemini-based lipoplexes complement the mitochondrial phenotype in MFN1-Knockout mouse embryonic fibroblasts. Mol. Pharm., doi: 10.1021/acs.molpharmaceut.9b00449.
• Murillo-Sánchez, M. L., Marggi Poullain, S., Loriot, V., Corrales, M. E., & Bañares, L. (2019). Femtosecond predissociation dynamics of ethyl iodide in the B-band. (2019). Phys. Chem. Chem. Phys., 21, 15695.
• Onami, Y., Koya, R., Kawasaki, T., Aizawa, H., Nakagame, R., Miyagawa, Y., Haraguchi, T., Akitsu, T., Tsukiyama, K., & Palafox, M. A. (2019). Investigation by DFT Methods of the Damage of Human Serum Albumin Including Amino Acid Derivative Schiff Base Zn(II) Complexes by IR-FEL Irradiation. Int. J. Mol. Sci., 20, 2846.
• Pena-Alvarez, M., Qiu, L. L., Baonza, V. G., Taravillo, M., Kertesz, M., & Casado, J. (2019). Molecules under Pressure: The Case of [n]Cycloparaphenylenes. Chem. Mater., 31, 6443.
• Plaza-Ga, I., Manzaneda-González, V., Kisovec, M., Almendro-Vedia, V., Muñoz-Úbeda, M., Anderluh, G., Guerrero-Martínez, A., Natale, P., &  López Montero, I. (2019). pH-triggered endosomal escape of pore-forming Listeriolysin O toxin-coated gold nanoparticles. J. Nanobiotechnology, 17, 1.
• Rubio, A. M., & Rey, A. (2019). Design of a structure-based model for protein folding from flexible conformations. Phys. Chem. Chem. Phys., 21, 6544.
• Torres, A., Luque, F. J., Tortajada, J., & Arroyo-de Dompablo, M. E. (2019). DFT investigation of Ca mobility in reduced-perovskite and oxidized-marokite oxides. Energy Storage Mater., 21, 354.
• Torres, A., Luque, F. J., Tortajada, J., & Arroyo-de Dompablo, M. E. (2019). Analysis of Minerals as Electrode Materials for Ca-based Rechargeable Batteries. Sci. Rep. 9, 9644.
• Walpole, V., Heid, C. G., Jambrina, P. G., Aoiz, F. J., & Brouard, M. (2019). Steric effects in the inelastic scattering of NO(X) + Ar: Side-on orientation. J. Phys. Chem. A, 123, 8787.
• Zeron, I. M., Abascal, J. L. F., & Vega, C. (2019). A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl−, and SO ²⁻₄ in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions. J. Phys. Chem., 151, 134504.