Exploració per autor "Casanovas, Jordi"

Ara es mostren els items 2-11 de 11

    • Conformational Preferences of 1-Amino-2-phenylcyclohexanecarboxylic Acid, a Phenylalanine Cyclohexane Analogue 

      Alemán Llansó, Carlos; Jimenez, Ana I; Cativiela, Carlos; Nussinov, Ruth; Casanovas, Jordi (2009-10)
      Article
      Accés restringit per política de l'editorial
      The intrinsic conformational preferences of the restricted phenylalanine analogue generated by including the R and β carbon atoms into a cyclohexane ring (1-amino-2-phenylcyclohexanecarboxylic acid, c6Phe) have been ...

    • 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 ...

    • Examining the planarity of poly(3,4-ethylenedioxythiophene): consideration of self-rigidification, electronic, and geometric effects 

      Poater, Jordi; Casanovas, Jordi; Solà, Miquel; Alemán Llansó, Carlos (2010-01)
      Article
      Accés restringit per política de l'editorial
      The intramolecular interactions responsible for the planarity observed in poly(3,4-ethylenedioxythiophene) and small 3,4-ethylenedioxythiophene-containing oligomers have been investigated using quantum mechanical methods. ...

    • 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 ...

    • NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids 

      Alemán Llansó, Carlos; Grodzinski, Piotr; Nussinov, Ruth; Revilla López, Guillermo; Torras Costa, Juan; Curcó, David; Casanovas, Jordi; Calaza, Maria Isabel; Zanuy Gomara, David; Jimenez Sanz, Ana Isabel; Cativiela, Carlos (2010-05-10)
      Article
      Accés obert
      Peptides and proteins find an ever-increasing number of applications in the biomedical and materials engineering fields. The use of non-proteinogenic amino acids endowed with diverse physicochemical and structural ...

    • Paradigm shift for preparing versatile M2+-free gels from unmodified sodium alginate 

      Pérez Madrigal, Mª del Mar; Torras Ambros, Joan; Casanovas, Jordi; Häring, Marleen; Alemán Llansó, Carlos; Díaz Díaz, David (2017-08-11)
      Article
      Accés obert
      This manuscript describes a new route to prepare rapidly Ca2+-free hydrogels from unmodified sodium alginate by simply mixing with small organic molecules such as poly(carboxylic acid) compounds as cross-linker agents ...

    • Properties of poly(3-halidethiophene)s 

      Casanovas, Jordi; Aradilla Zapata, David; Poater, Jordi; Solà, Miquel; Estrany Coda, Francesc; Alemán Llansó, Carlos (2012-07-28)
      Article
      Accés restringit per política de l'editorial
      The influence of the halogen atom on the intrinsic properties of poly(3-halidethiophene)s has been investigated using experimental and theoretical methodologies. Specifically, the electrochemical, electrical, electronic ...

    • Reviewing Extrapolation Procedures of the Electronic Properties on the p-Conjugated Polymer Limit 

      Torras Costa, Juan; Casanovas, Jordi; Alemán Llansó, Carlos (2012-06-19)
      Article
      Accés restringit per acord de confidencialitat
      In this article, the extrapolation procedures of π−π* electronic transition energy on π-conjugated oligomers are reexamined. Different models, including the simplest coupled oscillator, the free electron, the Hückel ...

    • Transport of Metallic Ions through Polyaniline-containing composite membranes 

      Ferreira, Carlos; Casanovas, Jordi; Rodrigues, Marco A. S.; Muller, Francielli; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos (2010-09-30)
      Article
      Accés obert
      The extraction of Na+, Ni2+, and Cr3+ using six different membranes made of polyaniline composited with high-impact polystyrene, which differ in the doping agent and/or the preparation method, has been investigated. The ...

    • Water absorbed by polyaniline emeraldine tends to organize, forming nanodrops 

      Casanovas, Jordi; Canales Gabriel, Manel; Fabregat Jové, Georgina; Meneguzzi, Álvaro; Alemán Llansó, Carlos (2012)
      Article
      Accés restringit per política de l'editorial
      Interactions, in terms of both binding energies and microscopic organization, of water molecules absorbed by hydrophilic polyaniline emeraldine base have been investigated using quantum mechanical calculations, molecular ...