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Ara es mostren els items 18-37 de 58

    • Effects of hydroxyapatite (0001) Ca2+/Mg2+ substitution on adsorbed D-ribose ring puckering 

      Revilla López, Guillermo; Bertran Cànovas, Òscar; Casanovas Salas, Jordi; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2016-07-13)
      Article
      Accés obert
      Advanced Molecular Dynamics (MD) simulation protocols have been used to assess the ring puckering of cyclic D-ribose when the sugar is adsorbed on the most stable (0001) facet of calcium hydroxyapatite (HAp). In addition, ...

    • Electrochemical activation for sensing of three-dimensional-printed poly(lactic acid) using low-pressure plasma 

      Fontana Escartín, Adrián; Lanzalaco, Sonia; Pérez Madrigal, Maria del Mar; Bertran Cànovas, Òscar; Alemán Llansó, Carlos (2022-08-22)
      Article
      Accés obert
      Integrated electrochemical sensors in which plasma-treated poly(lactic acid) (PLA) single material acts as both selective coating layer and electrochemical transductor (electrode) are prepared. Thus, three-dimensional-printed ...

    • Electrochemical multi-sensors obtained by applying an electric discharge treatment to 3D-printed poly(lactic acid) 

      Fontana Escartín, Adrián; Lanzalaco, Sonia; Bertran Cànovas, Òscar; Alemán Llansó, Carlos (2022-09-30)
      Article
      Accés restringit per política de l'editorial
      Electrochemical sensors for real-time detection of several bioanalytes have been prepared by additive manufacturing, shaping non-conductive poly(lactic acid) (PLA) filaments, and applying a physical treatment to create ...

    • Electronic properties of poly(thiophene-3-methyl acetate) 

      Gomes, Alex; Casanovas, Jordi; Bertran Cànovas, Òscar; Campos, Joao Sinezio de C.; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos (2011-11-04)
      Article
      Accés obert
      The electronic structure of poly(thiophene-3- methyl acetate) has been investigated using UV–vis absorption spectroscopy and quantum mechanical calculations. Experimental measures in chloroform solution indicate that the ...

    • FF: Examen FQ: primavera 2019 

      Soler Ruiz, Juan; Bertran Cànovas, Òscar (Universitat Politècnica de Catalunya, 2019-06-10)
      Examen
      Accés restringit a la comunitat UPC

    • FF: Examen MQ: primavera 2019 

      Bertran Cànovas, Òscar; Soler Ruiz, Juan (Universitat Politècnica de Catalunya, 2019-04-01)
      Examen
      Accés restringit a la comunitat UPC

    • 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 obert
      Atomistic 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 ...

    • Final 2019 

      Álvarez Lacalle, Enrique; Bertran Cànovas, Òscar; Gomis Bresco, Jordi (Universitat Politècnica de Catalunya, 2019-01-07)
      Examen
      Accés restringit a la comunitat UPC

    • Hydroxyapatite with permanent electrical polarization: preparation, characterization, and response against inorganic adsorbates 

      Rivas Moreno, Manuel; Valle Mendoza, Luis Javier del; Armelín Diggroc, Elaine Aparecida; Bertran Cànovas, Òscar; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2018-04-16)
      Article
      Accés obert
      Permanently polarized hydroxyapatite (HAp) particles have been prepared by applying a constant DC of 500 V at 1000¿°C for 1 h to the sintered mineral. This process causes important chemical changes, as the formation of OH- ...

    • In silico antibody engineering for SARS-CoV-2 detection 

      Martí Ballesté, Dídac; Martin Martinez, Eduard; Torras Costa, Juan; Bertran Cànovas, Òscar; Turón Dols, Pau; Alemán Llansó, Carlos (Elsevier, 2021-01-01)
      Article
      Accés obert
      Engineered immunoglobulin-G molecules (IgGs) are of wide interest for the development of detection elements in protein-based biosensors with clinical applications. The strategy usually employed for the de novo design of ...

    • In silico study of substrate chemistry effect on the tethering of engineered antibodies for SARS-CoV-2 detection: amorphous silica vs gold 

      Martí Ballesté, Dídac; Martin Martinez, Eduard; Torras Costa, Juan; Bertran Cànovas, Òscar; Turon, Pau; Alemán Llansó, Carlos (Elsevier, 2022-05)
      Article
      Accés obert
      The influence of the properties of different solid substrates on the tethering of two antibodies, IgG1-CR3022 and IgG1-S309, which were specifically engineered for the detection of SARS-CoV-2, has been examined at the ...

    • Incorporation of deMon2k as a new parallel quantum mechanical code for the PUPIL system 

      Bertran Cànovas, Òscar; Trickey, Samuel; Torras Costa, Juan (2010-11-15)
      Article
      Accés obert
      The PUPIL system is a combination of software and protocols for the systematic linkage and interoperation of molecular dynamics and quantum mechanics codes to perform QM/MD (sometimes called QM/MM) calculations. The ...

    • Internal organization of macromonomers and dendronized polymers based on thiophene dendrons 

      Cordova Mateo, Esther; Bertran Cànovas, Òscar; Alemán Llansó, Carlos; Schlüter, A. Dieter; Kroeger, Matin (2015-01-01)
      Article
      Accés obert
      The internal organization of macromonomers (MGs) consisting of all-thiophene dendrons of generation g = 2 and 3 attached to a phenyl core, as well as of the dendronized polymers resulting from polymerization of these ...

    • Isomeric cationic ionenes as n-dopant agents of poly(3,4-ethylenedioxythiophene) for in situ gelation 

      Saborío González, Maricruz; Bertran Cànovas, Òscar; Lanzalaco, Sonia; Häring, Marleen; Franco García, María Lourdes; Puiggalí Bellalta, Jordi; Díaz Díaz, David; Estrany Coda, Francesc; Alemán Llansó, Carlos (2018-01-01)
      Article
      Accés obert
      Three isomeric ionene polymers containing 1,4-diazabicyclo[2.2.2]octane (DABCO) and N,N’-(x-phenylene)dibenzamide (x= ortho- / meta- / para-) linkages have been used as dopant agents to produce n-doped poly(3,4-ethylened ...

    • Main-chain scission of individual macromolecules induced by solvent swelling 

      Messmer, Daniel; Bertran Cànovas, Òscar; Kissner, Reinhard; Alemán Llansó, Carlos; Schlüter, A. Dieter (Royal Society of Chemistry (RSC), 2019-05-08)
      Article
      Accés obert
      We present a comprehensive investigation of main-chain scission processes affecting peripherally charged and neutral members of a class of dendronized polymers (DPs) studied in our laboratory. In these thick, sterically ...

    • Manufactured flexible electrodes for dopamine detection: integration of conducting polymer in 3D-printed polylactic acid 

      Fontana Escartín, Adrián; Puiggalí Jou, Anna; Lanzalaco, Sonia; Bertran Cànovas, Òscar; Alemán Llansó, Carlos (2021-06-23)
      Article
      Accés obert
      Flexible electrochemical sensors based on electroactive materials have emerged as powerful analytical tools for biomedical applications requiring bioanalytes detection. Within this context, 3D printing is a remarkable ...

    • Mineralization of DNA into nanoparticles of hydroxyapatite 

      Bertran Cànovas, Òscar; Valle Mendoza, Luis Javier del; Revilla López, Guillermo; Chaves Barboza, Gustavo Adolfo; Cardús Andreu, Lluís; Casas Becerra, María Teresa; Casanovas Salas, Jordi; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2014-01-07)
      Article
      Accés obert
      Encapsulation of DNA into hydroxyapatite (HAp) has been investigated using a rational approach that involves computer simulation and experimental techniques. The temporal evolution of the radial distribution functions ...

    • Modeling biominerals formed by apatites and DNA 

      Revilla López, Guillermo; Casanovas, Jordi; Bertran Cànovas, Òscar; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2013-04-08)
      Article
      Accés obert
      Different aspects of biominerals formed by apatite and DNA have been investigated using computer modeling tools. Firstly, the structure and stability of biominerals in which DNA molecules are embedded into hydroxyapatite ...

    • Modeling nanosized single molecule objects: dendronized polymers adsorbed onto mica 

      Bertran Cànovas, Òscar; Zhang, Baozhong; Schlüter, A. Dieter; Kroeger, Matin; Alemán Llansó, Carlos (2015-02-19)
      Article
      Accés obert
      We attempt to provide direct evidence for the suggested behavior of dendronized polymers as molecular objects (i.e., single shape persistent macromolecules). For this purpose, the microscopic structure of dendronized ...

    • Modeling the Structural and Electronic Properties of an Optically Active Regioregular Polythiophene 

      Bertran Cànovas, Òscar; Torras Costa, Juan; Alemán Llansó, Carlos (2010-06-03)
      Article
      Accés restringit per política de l'editorial
      A comprehensive theoretical study about the structural and electronic molecular properties of the optically active regioregular poly[(R)-3-(4-(4-ethyl-2-oxazolin-2-yl)phenyl)thiophene] and its model oligomers has been ...