Exploració per autor "Torras Costa, Juan"
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2nd International Conference on Peptide Materials for Biomedicine and Nanotechnology : PepMat 2016, Barcelona, 14-16 March 2016 : book of abstracts
Alemán Llansó, Carlos; Bertran Cànovas, Òscar; Valle Mendoza, Luis Javier del; Mas Moruno, Carlos; Mayans Tayadella, Enric; Pérez Madrigal, Maria del Mar; Puiggalí Jou, Anna; Torras Costa, Juan; Triguero Enguídanos, Jordi; Zanuy Gomara, David (2016)
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Ab initio cluster model study of geometry and bonding character of atomic nitrogen chemisorbed on the Cu(100) and Ag(100) surfaces
Ricart Pla, Josep Manel; Torras Costa, Juan; Rubio, Jaime; Illas, Francesc (1997-03-10)
Article
Accés restringit per política de l'editorialThe chemisorption of atomic nitrogen on the four-fold site Cu(100) and Ag(100) surfaces has been modeled by Cu5N, AgsN and Cu41N cluster models. For these clusters, ab initio Hartree Fock electronic wave functions have ... -
Advances in functionalization of bioresorbable nanomembranes and nanoparticles for their use in biomedicine
Madhani Mohammed Sadhakathullah, Ahammed Hussain; Paulo Mirasol, Sofia; Torras Costa, Juan; Armelín Diggroc, Elaine Aparecida (Multidisciplinary Digital Publishing Institute (MDPI), 2023-06-18)
Article
Accés obertBioresorbable nanomembranes (NMs) and nanoparticles (NPs) are powerful polymeric materials playing an important role in biomedicine, as they can effectively reduce infections and inflammatory clinical patient conditions ... -
Biodegradable conducting PVA-hydrogel based on carbon quantum dots: study of the synergistic effect of additives
Gamboa Rivera, Jillian Tricia; Paulo Mirasol, Sofia; Espona Noguera, Albert; Enshaei, Hamidreza; Ortiz Rojas, Sergio; Estrany Coda, Francesc; Ginebra Molins, Maria Pau; Torras Costa, Juan (2024-02-03)
Article
Accés obertConductive hydrogels are becoming one of the most important milestones for the development of new scaffolds, biosensors, supercapacitors, and green electronics within the field of biomedicine. In this work, we study the ... -
Biohydrogel from unsaturated polyesteramide: Synthesis, properties and utilization as electrolytic medium for electrochemical supercapacitors
Ruano Torres, Guillem; Díaz Andrade, Angélica María; Tononi García, Jordi; Torras Costa, Juan; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (Elsevier, 2020-02-01)
Article
Accés obertThe utilization of hydrogels derived from biopolymers as solid electrolyte (SE) of electrochemical supercapacitors (ESCs) is a topic of increasing interest because of their promising applications in biomedicine (e.g. for ... -
Building a torsional potential between thiophene rings to illustrate the basics of molecular modeling
Torras Costa, Juan (American Chemical Society, 2023-11-10)
Article
Accés obertModeling an inter-ring torsional profile of a simple 2,2'- bithiophene molecule has been used to illustrate the main concepts associated with basic molecular modeling within an introductory course in a master’s degree on ... -
Chemisorption of molecular oxygen on Cu(1 0 0): a Hartree¿Fock and density functional study
Torras Costa, Juan; Lacaze-Dufaure, C.; Russo, Beniamino; Ricart Pla, Josep Manel (2001-02-20)
Article
Accés restringit per política de l'editorialThe interaction of molecular oxygen with the Cu(1 0 0) surface has been studied by using both Hartree–Fock and density functional methods in the framework of the cluster model approach. In this study, we have used the ... -
Close contacts at the interface: Experimental-computational synergies for solving complexity problems
Torras Costa, Juan; Zanuy Gomara, David; Bertran Cànovas, Òscar; Alemán Llansó, Carlos; Puiggalí Bellalta, Jordi; Revilla López, Guillermo (de Gruyter, 2018-02-15)
Capítol de llibre
Accés restringit per política de l'editorialThe study of material science has been long devoted to the disentanglement of bulk structures which mainly entails finding the inner structure of materials. That structure is accountable for a major portion of materials’ ... -
Cluster model study of the chemisorption of atomic carbon on Si(100) surfaces
Torras Costa, Juan; Ricart Pla, Josep Manel; Vilarrubias, Pere; Fraxedas, J. (1997-02-02)
Article
Accés restringit per política de l'editorialStructural parameters for chemisorption of atomic carbon above a Si(100) surface have been obtained through a Si35H 32 cluster model and a MINDO/3 hamiltonian. The most stable position has been found to be the bridge one ... -
Computer simulations on oxidative stress-induced reactions in SARS-CoV-2 spike glycoprotein: a multi-scale approach
Bertran Cànovas, Òscar; Martí Ballesté, Dídac; Torras Costa, Juan; Turon, Pau; Alemán Llansó, Carlos (Springer Nature, 2022-01-01)
Article
Accés obertOxidative stress, which occurs when an organism is exposed to an adverse stimulus that results in a misbalance of antioxidant and pro-oxidants species, is the common denominator of diseases considered as a risk factor for ... -
Conformational preferences of proline analogues with a fused benzene ring
Warren, Javier G.; Revilla López, Guillermo; Alemán Llansó, Carlos; Jimenez Sanz, Ana Isabel; Cativiela, Carlos; Torras Costa, Juan (2010-09-16)
Article
Accés restringit per política de l'editorialThe intrinsic conformational preferences of indoline-2-carboxylic acid (Inc) and its R-methylated derivative (RMeInc) have been investigated using quantum mechanical calculations. Specifically, the behavior of ... -
Density functional study of atomic nitrogen and oxygen chemisorption on model clusters simulating the Cu and Ag ( 100) surfaces
Torras Costa, Juan; Toscano, M; Ricart Pla, Josep Manel; Russo, Beniamino (1997-05-23)
Article
Accés restringit per política de l'editorialDensity functional calculations which explicitly use the density gradient type nonlocal corrections to exchange and correlation are reported for the adsorption of atomic nitrogen and oxygen on the four-fold sites of (100) ... -
Doped photo-crosslinked polyesteramide hydrogels as solid electrolytes for supercapacitors
Ruano Torres, Guillem; Tononi García, Jordi; Curcó Cantarell, David; Puiggalí Bellalta, Jordi; Torras Costa, Juan; Alemán Llansó, Carlos (2020-09-14)
Article
Accés obertHigh-performance hydrogels play a crucial role as solid electrolytes for flexible electrochemical supercapacitors (ESCs). More specifically, all solid-state ESCs based on renewable, biodegradable and/or biocompatible ... -
Effects of ring contraction on the conformational preferences of a-substituted proline analogs
Revilla López, Guillermo; Warren, Javier G.; Torras Costa, Juan; Jiménez, Ana I.; Cativiela, Carlos; Alemán Llansó, Carlos (2012-03-01)
Article
Accés restringit per política de l'editorialThe structural consequences derived from the incorporation of either a methyl or a phenyl group at the a carbon of proline were recently investigated by quantum mechanical calculations (J Org Chem 2008, 73, 3418). In ... -
Electrical and chapacitive response of hydrogel solid-like electrolytes for supercapacitors
Ruano Torres, Guillem; Iribarren Laco, José Ignacio; Pérez Madrigal, Maria del Mar; Torras Costa, Juan; Alemán Llansó, Carlos (Multidisciplinary Digital Publishing Institute (MDPI), 2021-04-19)
Article
Accés obertFlexible hydrogels are attracting significant interest as solid-like electrolytes for energy storage devices, especially for supercapacitors, because of their lightweight and anti-deformation features. Here, we present a ... -
Electroactive interpenetrated biohydrogels as hybrid materials based on conducting polymers
Molina García, Brenda Guadalupe; Fabregat Jové, Georgina; Estrany Coda, Francesc; Alemán Llansó, Carlos; Torras Costa, Juan (Wiley, 2020-01-01)
Article
Accés obertDifferent levels of interpenetration of poly(hydroxymethyl-3,-4-ethylenedioxythiophene) (PHMeDOT) inside a poly-¿-glutamic acid (¿PGA)biohydrogel matrix, previously loaded with microparticles of poly(3,4-ethylene-dioxythiophene) ... -
Examining the compatibility of collagen and a polythiophene derivative for the preparation of bioactive platforms
Soto Delgado, Jorge; Torras Costa, Juan; Valle Mendoza, Luis Javier del; Estrany Coda, Francesc; Alemán Llansó, Carlos (2015-01-09)
Article
Accés obertFundamental characteristics of bioactive platforms based on biocomposites of poly(3,4-ethylenedioxythiophene) (PEDOT) and collagen, named P(EDOT:CLG), have been examined using an experimental–computational approach. The ... -
Expanding the limits of amide-triazole isosteric substitution in bisamide-based physical gels
Tautz, Markus; Torras Costa, Juan; Grijalvo Torrijo, Santiago; Eritja Casadellà, Ramon; Saldías, César; Alemán Llansó, Carlos; Díaz Díaz, David (Royal Society of Chemistry (RSC), 2019-01-01)
Article
Accés obertGelation of organic solvents using N,N0-((1S,2S)-cyclohexane-1,2-diyl)didodecanamide (C12–Cyc) is driven by its self-assembly via antiparallel hydrogen bonds and van der Waals intermolecular interactions. In this work we ... -
Field-Induced Transport in Sulfonated Poly(styrene-co-divinylbenzene) Membranes
Bertran Cànovas, Òscar; Curcó, David; Torras Costa, Juan; Ferreira, Carlos A.; Alemán Llansó, Carlos (American Chemical Society (ACS), 2010-12-06)
Article
Accés obertAtomistic simulations have been carried to investigate electric field induced transport of hydronium ions in a sulfonated poly(styrene-co-divinylbenzene) membrane. In order to provide a good description of this cross-linked ... -
Flexible electrode based on nitrogen carbon quantum dots for dopamine detection
Paulo Mirasol, Sofia; Izquierdo, Claudia; Alemán Llansó, Carlos; Armelín Diggroc, Elaine Aparecida; Torras Costa, Juan (2023-07-30)
Article
Accés restringit per política de l'editorialThe simple fabrication of a flexible electrochemical sensor from nitrogen carbon quantum dots (NCQDs) on a modified ITO surface for dopamine detection is presented. NCQD dispersion was used to modify an ITO-coated PET ...