Browsing by Author "Torras Costa, Juan"
Now showing items 1-20 of 70
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2nd International Conference on Peptide Materials for Biomedicine and Nanotechnology : PepMat 2016, Barcelona, 14-16 March 2016 : book of abstracts
(2016)
Conference report
Open Access -
Ab initio cluster model study of geometry and bonding character of atomic nitrogen chemisorbed on the Cu(100) and Ag(100) surfaces
(1997-03-10)
Article
Restricted access - publisher's policyThe 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
(Multidisciplinary Digital Publishing Institute (MDPI), 2023-06-18)
Article
Open AccessBioresorbable 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
(2024-02-03)
Article
Open AccessConductive 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
(Elsevier, 2020-02-01)
Article
Open AccessThe 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
(American Chemical Society, 2023-11-10)
Article
Open AccessModeling 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 ... -
Carbon quantum dots composite for enhanced selective detection of dopamine with organic electrochemical transistors
(2024-10)
Article
Open AccessA compact organic electrochemical transistors (OECT) sensor enriched with carbon quantum dots (CQDs) was developed to enhance the transconductance of an electropolymerized poly(3,4-ethylenedioxythiophene) (PEDOT) film, ... -
Chemisorption of molecular oxygen on Cu(1 0 0): a Hartree¿Fock and density functional study
(2001-02-20)
Article
Restricted access - publisher's policyThe 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
(de Gruyter, 2018-02-15)
Part of book or chapter of book
Restricted access - publisher's policyThe 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
(1997-02-02)
Article
Restricted access - publisher's policyStructural 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
(Springer Nature, 2022-01-01)
Article
Open AccessOxidative 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 ... -
Conducting polymers and thermosensitive hydrogels for green electricity generation
(John Wiley & sons, 2024-12-01)
Article
Open AccessSustainable strategies to generate electricity using natural resources, such as sunlight (photovoltaic cells) and wind (wind towers), have driven a significant change in our homes in terms of electricity consumption. Herein, ... -
Conformational preferences of proline analogues with a fused benzene ring
(2010-09-16)
Article
Restricted access - publisher's policyThe 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 ... -
CQD-based electrochemical immunosensor for sensitive D-dimer detection in thrombosis and COVID-19
(Elsevier, 2024-12)
Article
Open AccessThrombosis, a leading cause of heart attacks, strokes, and venous thromboembolism (VTE), contributes to 25 % of global deaths. Factors like aging and immobility increase VTE risk. D-dimer (DD), whose elevated levels indicate ... -
Density functional study of atomic nitrogen and oxygen chemisorption on model clusters simulating the Cu and Ag ( 100) surfaces
(1997-05-23)
Article
Restricted access - publisher's policyDensity 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
(2020-09-14)
Article
Open AccessHigh-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
(2012-03-01)
Article
Restricted access - publisher's policyThe 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
(Multidisciplinary Digital Publishing Institute (MDPI), 2021-04-19)
Article
Open AccessFlexible 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
(Wiley, 2020-01-01)
Article
Open AccessDifferent 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
(2015-01-09)
Article
Open AccessFundamental 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 ...
