José J. López Cascales
Departamento: Ingeniería Química y Ambiental
Centro: ETS de Ingeniería Industrial
Área: Química Física
Grupo de investigación: Materiales Avanzados para la Producción y Almacenamiento de Energía
Email: javier.lopez@upct.es
Doctor por la Universidad de Murcia con la tesis Simulacion de propiedades dinamicas de sistemas macromoleculares en disolucion 1991. Dirigida por Dr/a. Jose García de la Torre.
Investigador Principal Grupo I+D
Departamento de Ingeniería Química y Ambiental
Grupo de Materiales Avanzados para la Producción y Almacenamiento de Energía
2022
- Electrodes based on nafion and epoxy-graphene composites for improving the performance and durability of open cathode fuel cells, prepared by electrospray deposition
International Journal of Hydrogen Energy, Vol. 47, Núm. 29, pp. 13980-13989
- Importance of Continuous and Simultaneous Monitoring of Both Electrode Voltages during Discharge/Charge Battery Tests: Application to Zn-Based Batteries
Batteries, Vol. 8, Núm. 11
- Influence of the gas diffusion layer on the performance of an open cathode polymer electrolyte membrane fuel cell
International Journal of Hydrogen Energy, Vol. 47, Núm. 12, pp. 7990-7999
- Production of gas diffusion layers with cotton fibers for their use in fuel cells
Scientific Reports, Vol. 12, Núm. 1
2021
- Influence of Lipid Composition on the Insertion Process of Glyphosate into Membranes: A Thermodynamic Study
Journal of Physical Chemistry B, Vol. 125, Núm. 1, pp. 184-192
- New short cationic antibacterial peptides. Synthesis, biological activity and mechanism of action
Biochimica et Biophysica Acta – Biomembranes, Vol. 1863, Núm. 10
2020
- Antibacterial effect of chitosan–gold nanoparticles and computational modeling of the interaction between chitosan and a lipid bilayer model
Nanomaterials, Vol. 10, Núm. 12, pp. 1-18
- Study of the insertion of a small symmetric star polymer into different phospholipid bilayers.
Journal of Molecular Structure, Vol. 1222
2019
- Mechanical properties of bilayers containing sperm sphingomyelins and ceramides with very long-chain polyunsaturated fatty acids
Chemistry and Physics of Lipids, Vol. 218, pp. 178-186
2018
- Molecular dynamics simulations of glyphosate in a DPPC lipid bilayer
Chemistry and Physics of Lipids, Vol. 213, pp. 111-117
- Small Cationic Peptides: Influence of Charge on Their Antimicrobial Activity
ACS Omega, Vol. 3, Núm. 5, pp. 5390-5398
2016
- Composition effect on the aggregate/solution interface of a nematic lyotropic liquid crystal
RSC Advances, Vol. 6, Núm. 88, pp. 85411-85419
- Effect of shape and bending modulus on the properties of nematic lyotropic liquid crystals
RSC Advances, Vol. 6, Núm. 9, pp. 7455-7464
- Small Peptides Derived from Penetratin as Antibacterial Agents
Archiv der Pharmazie, Vol. 349, Núm. 4, pp. 242-251
2015
2014
- The dynamic action mechanism of small cationic antimicrobial peptides
Physical Chemistry Chemical Physics, Vol. 16, Núm. 39, pp. 21694-21705
- Thermodynamic analysis of unimer-micelle and sphere-to-rod micellar transitions of aqueous solutions of sodium dodecylbenzenesulfonate
Journal of Chemical Thermodynamics, Vol. 77, pp. 54-62
- Thermodynamics and 2H NMR study on the insertion of small quinones into a discotic nematic lyotropic liquid crystal
ChemPhysChem, Vol. 15, Núm. 7, pp. 1422-1431
2013
- Effect of lithium on the properties of a liquid crystal formed by sodium dodecylsulphate and decanol in aqueous solution
Journal of Chemical Physics, Vol. 139, Núm. 1
- Effect of the interfacial tension and ionic strength on the thermodynamic barrier associated to the benzocaine insertion into a cell membrane
Biophysical Chemistry, Vol. 172, pp. 1-7
- Penetratin and derivatives acting as antibacterial agents
Chemical Biology and Drug Design, Vol. 82, Núm. 2, pp. 167-177
2012
- A criterion to identify the equilibration time in lipid bilayer simulations
Papers in Physics, Vol. 4
- Mechanical properties of binary DPPC/DPPS bilayers
RSC Advances, Vol. 2, Núm. 31, pp. 11743-11750
2011
- Experiencia en el desarrollo de asignaturas de ingeniería en inglés enmarcadas en el espacio europeo de educación superior (EEES)
I Congreso Internacional de Innovación Docente. CIID: Cartagena 6, 7 y 8 de julio de 2011 (Cartagena, Universidad Politécnica de Cartagena, D.L. 2011), pp. 1047-1050
- Thermodynamic study of benzocaine insertion into different lipid bilayers
Journal of Chemical Physics, Vol. 135, Núm. 13
2010
- Binding of glutamate to the umami receptor
Biophysical Chemistry, Vol. 152, Núm. 1-3, pp. 139-144
- Estudio por dinámica molecular de la localización de la benzocaína dentro de una membrana celular
Jornadas de introducción a la investigación de la UPCT, Núm. 3, pp. 56-58
- Methylene blue adsorption on a DMPA lipid langmuir monolayer
ChemPhysChem, Vol. 11, Núm. 10, pp. 2241-2247
- Molecular dynamics simulation of polypyrrole film in an acetonitrile solution
Journal of Electroanalytical Chemistry, Vol. 644, Núm. 1, pp. 13-19
- Physicochemical study of the acetonitrile insertion into polypyrrole films
Journal of Chemical Physics, Vol. 132, Núm. 14
2009
- Study of the benzocaine transfer from aqueous solution to the interior of a biological membrane
Journal of Physical Chemistry B, Vol. 113, Núm. 29, pp. 9988-9994
- Study of the effect of Na+ and Ca2+ ion concentration on the structure of an asymmetric DPPC/DPPC + DPPS lipid bilayer by molecular dynamics simulation
Colloids and Surfaces B: Biointerfaces, Vol. 73, Núm. 1, pp. 42-50
2008
- A DMPA langmuir monolayer study: From gas to solid phase. An atomistic description by molecular dynamics simulation
Langmuir, Vol. 24, Núm. 5, pp. 1823-1828
- Effect of Na+ and Ca2+ ions on a lipid Langmuir monolayer: An atomistic description by molecular dynamics simulations
ChemPhysChem, Vol. 9, Núm. 17, pp. 2538-2543
- Electro-chemo-mechanical response of a free-standing polypyrrole strip
Journal of Physics: Conference Series, Vol. 127
2007
- Attempting a classification for electrical polymeric actuators
Proceedings of SPIE – The International Society for Optical Engineering
- Effect of the barometric phase transition of a DMPA bilayer on the lipid/water interface. An atomistic description by molecular dynamics simulation
Journal of Physical Chemistry B, Vol. 111, Núm. 49, pp. 13726-13733
- Mechanical characterization of free-standing polypyrrole film
Materials Science and Engineering C, Vol. 27, Núm. 1, pp. 18-22
2006
- Effect of the doping ion on the electrical response of a free-standing polypyrrole strip subjected to different preloads: Perspectives and limitations associated with the use of these devices as actuators
Macromolecules, Vol. 39, Núm. 26, pp. 9551-9556
- Model of an asymmetric DPPC/DPPS membrane: Effect of asymmetry on the lipid properties. A molecular dynamics simulation study
Journal of Physical Chemistry B, Vol. 110, Núm. 5, pp. 2358-2363
- Phase transition of a DPPC bilayer induced by an external surface pressure: From bilayer to monolayer behavior. A molecular dynamics simulation study
Langmuir, Vol. 22, Núm. 13, pp. 5818-5824
2005
- In situ FTIR spectroscopy study of the break-in phenomenon observed for PPy/PVS films in acetonitrile
Journal of Physical Chemistry B, Vol. 109, Núm. 44, pp. 21078-21085
- Molecular dynamics simulations of the orientation and reorientational dynamics of water and polypyrrole rings as a function of the oxidation state of the polymer
Macromolecular Theory and Simulations, Vol. 14, Núm. 1, pp. 40-48
- Perchlorate interchange during the redox process of PPy/PVS films in an acetonitrile medium. A voltammetric and EDX study
Journal of Physical Chemistry B, Vol. 109, Núm. 2, pp. 907-914
- Understanding the structural changes that take place in a polypyrrole film during its oxi-reduction process: A Molecular Dynamics Simulation Study
Proceedings of SPIE – The International Society for Optical Engineering
2004
- Modeling the polypyrrole water interface by molecular dynamics simulation
Proceedings of SPIE – The International Society for Optical Engineering
- Molecular dynamic simulation of the hydration and diffusion of chloride ions from bulk water to polypyrrole matrix
Journal of Chemical Physics, Vol. 120, Núm. 4, pp. 1951-1957
2003
- Characterization of the reduced and oxidized polypyrrole/water interface: A molecular dynamics simulation study
Journal of Physical Chemistry B, Vol. 107, Núm. 35, pp. 9339-9343
1998
- Anaesthetic mechanism on a model biological membrane: A molecular dynamics simulation study
Journal of Physical Chemistry B, Vol. 102, Núm. 3, pp. 625-631
1997
- Effect of lithium and sodium ions on a charged membrane of dipalmitoylphosphatidylserine: A study by molecular dynamics simulation
Biochimica et Biophysica Acta – Biomembranes, Vol. 1330, Núm. 2, pp. 145-156
- Molecular dynamics simulation of a dye molecule in the interior of a bilayer: 1,6-diphenyl-1,3,5-hexatriene in dipalmitoylphosphatidylcholine
Biophysical Chemistry, Vol. 69, Núm. 1, pp. 1-8
1996
- Distribution and diffusivity of a hydrophobic probe molecule in the interior of a membrane: Theory and simulation
Biophysical Journal, Vol. 71, Núm. 3, pp. 1428-1439
- Molecular dynamics simulation of a charged biological membrane
Journal of Chemical Physics, Vol. 104, Núm. 7, pp. 2713-2720
- Molecular dynamics simulation of water between two charged layers of dipalmitoylphosphatidylserine
Journal of Physical Chemistry, Vol. 100, Núm. 21, pp. 8621-8627
1994
- HYDRO: a computer program for the prediction of hydrodynamic properties of macromolecules
Biophysical Journal, Vol. 67, Núm. 2, pp. 530-531
- Simulation of deformation and fracture of polymer chains in flowing solutions
Journal of Non-Crystalline Solids, Vol. 172-174, Núm. PART 2, pp. 823-829
1993
- BEAD-MODEL CALCULATION OF SCATTERING DIAGRAMS – BROWNIAN DYNAMICS STUDY OF FLEXIBILITY IN IMMUNOGLOBULIN IGG1
JOURNAL OF BIOCHEMICAL AND BIOPHYSICAL METHODS, Vol. 26, Núm. 4, pp. 261-271
1992
- Simulation of polymer chains in elongational flow. Kinetics of chain fracture and fragment distribution
The Journal of Chemical Physics, Vol. 97, Núm. 6, pp. 4549-4554
1991
- Simulation of polymer chains in elongational flow. Steady-state properties and chain fracture
The Journal of Chemical Physics, Vol. 95, Núm. 12, pp. 9384-9392
Proyectos finalizados
2022
- Pilas de combustible de HIDRÓGENO desde fuentes renovables para una logística y transporte VERDE
Ángel Molina García, José Javier López Cascales
- Equipo de espectroscopia de fotoelectrones producidos por Rayos-X y Ultravioleta (XPS-UPS) a temperatura variable (4 K-800 K)
Antonio Jesús Fernández Romero
2012
- SÍNTESIS Y APLICACIONES DE MATERIALES INTELIGENTES
Toribio Fernández Otero
2010
2008
- Dispositivos Electroquímicos con Polímeros Conductores.Tratamiento Teórico.
Toribio Fernández Otero
2007
- Membranas adaptables y polímeros conductores.
Toribio Fernández Otero
2006
- Getting Right Needle Technology through novel forming and coating processes
Toribio Fernández Otero
2005
2004
- Los polímeros conductores como transductores electrón-anión y electrocatión.
Toribio Fernández Otero
2003
- Apoyo a grupos de consolidacion.
Toribio Fernández Otero
Tesis doctoral
Simulacion de propiedades dinamicas de sistemas macromoleculares en disolucion 1991
Universidad de Murcia
Tesis dirigidas (2)
Aplicación de la técnica de dinámica molecular al estudio de diferentes sistemas químicos supramoleculares 2010
Universidad Politécnica de Cartagena
Sara Dinisa Oliveira Costa
Organizacion molecular en peliculas de langmuir. Estudios por simulacion y aplicacion en dispositivos organicos electroluminiscentes 2009
Universidad de Córdoba (ESP)
Juan Jose Giner Casares
Tribunales de tesis (9)
Secretario del tribunal
Avances en baterías de zincdesarrollo de nuevos geles poliméricos y caracterización y evaluación de electrodos de zinc/bi2o3 2019Universidad Politécnica de Cartagena
Vocal del tribunal
Técnicas instrumentales y computacionales para la caracterización de sistemas de macromoléculas y nanopartículas. Implementación y aplicaciones 2018Universidad de Murcia
Vanesa Fernández Espín
Secretario del tribunal
Caracterización espectroscópica y electroquímica de electrolitos poliméricos-tipo gel basados en líquidos iónicosaplicación en baterías de zinc 2016Universidad Politécnica de Cartagena
Juan P. Tafur
Presidente del tribunal
Protein-protein interactions in epidermal growth factor receptors through molecular dynamics 2015Universidad Autónoma de Madrid
Juan Felipe Franco González
Vocal del tribunal
Simulación numérica y estudios experimentales sobre ultracentrifugación analítica de macromoléculas 2015Universidad de Murcia
Ana Isabel Diez Peña
Vocal del tribunal
Simulación de propiedades en disolución de polímeros 2012Universidad de Murcia
Ricardo Rodríguez Schmidt
Secretario del tribunal
Caracterización y optimización electróquímica de dispositivos electrocrómicos duales basados en polímeros conductores 2006Universidad Politécnica de Cartagena
Secretario del tribunal
Conformación y dinámica de macromoléculas neutras y polielectrolitos en disoluciones diluidas y semiconcentradas 2006Universidad de Murcia
Vocal del tribunal
Compactación y oxidación de polímeros conductoresestudio teórico y experimental comparado 2003Universidad del País Vasco – Euskal Herriko Unibertsitatea
Iker Boyano