Recent Submissions

  • Dissolving hydroxyolite: a DNA molecule into its hydroxyapatite mold 

    Bertran Cànovas, Òscar; Revilla López, Guillermo; Casanovas Salas, Jordi; Valle Mendoza, Luis Javier del; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2016-04-01)
    Article
    Restricted access - publisher's policy
    In spite of the clinical importance of hydroxyapatite (HAp), the mechanism that controls its dissolution in acidic environments remains unclear. Knowledge of such a process is highly desirable to provide better understanding ...
  • Multiple active zones in hybrid QM/MM molecular dynamics simulations for large biomolecular systems 

    Torras Costa, Juan (2015-03-10)
    Article
    Open Access
    A new QM/MM molecular dynamics approach that can deal with the dynamics of large real systems involving several simultaneous active zones is presented. Multiple, unconnected but interacting quantum regions are treated ...
  • 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
    Open Access
    Fundamental 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 ...
  • Properties of Cu nanoparticles-poly(N-methylpyrrole) composites 

    Sánchez Jiménez, Margarita; Estrany Coda, Francesc; Alemán Llansó, Carlos (2016-02-01)
    Article
    Open Access
    © 2014 Society of Plastics Engineers. Spherical copper nanoparticles (Cu-NPs) have been immobilized on the compact surface of potentiostatically generated poly(N-methylpyrrole) (PNMPy) films by applying a reduction potential ...
  • Improvement of dielectric properties of natural rubber by adding perovskite nanoparticles 

    González, Neudys; Riba Ruiz, Jordi-Roger; Lalaouna, Saïd; Custal, Mariàngels; Armelín Diggroc, Elaine Aparecida (2016-02)
    Article
    Restricted access - publisher's policy
    Natural rubber matrix, reinforced with several conventional stabilizer additives, was further charged with perovskite nanoparticles. Although the addition of BaTiO3 ceramic particles usually transforms a non-conducting ...
  • Peptide delta-turn: Literature survey and recent progress 

    Toniolo, Claudio; Crisma, Marco; Moretto, Alessandro; peggion, Cristina; Formaggio, Fernando; Alemán Llansó, Carlos; Cativiela, Carlos; Ramakrishnan, Chandrasekharan; Balaram, Padmanabhan (2015-09-28)
    Article
    Open Access
    Among the various types of a-peptide folding motifs, delta-turn, which requires a central cis-amide disposition, has been one of the least extensively investigated. In particular, this main-chain reversal topology has been ...
  • Surviving mass extinctions through biomineralized DNA 

    Turón Dols, Pau; Puiggalí Bellalta, Jordi; Bertran Cànovas, Òscar; Alemán Llansó, Carlos (2015-12-21)
    Article
    Restricted access - publisher's policy
    Even in the worst of conditions, such as those which occurred during mass extinction events, life on Earth never totally stopped. Aggressive chemical and physical attacks able to sterilize or poison living organisms occurred ...
  • 1-Butanol absorption in poly(styrene-divinylbenzene) ion exchange resins for catalysis 

    Perez Macia, Maria A; Curcó Cantarell, David; Bringue, Roger; Iborra, Monserrat; Rodriguez Ropero, F.; Van der Vegt, N.F.A.; Alemán Llansó, Carlos (2015-01-01)
    Article
    Open Access
    The swelling behaviour of poly(styrene-co-divinylbenzene), P(S-DVB), ion exchange resins in 1-butanol (BuOH) has been studied by means of atomistic classical molecular dynamics simulations (MD). The topological characteristics ...
  • Self-assembly of tetraphenylalanine peptides 

    Mayans Tayadella, Enric; Ballano Ballano, María Gema; Casanovas Salas, Jordi; Díaz Andrade, Angélica María; Pérez Madrigal, Maria del Mar; Estrany Coda, Francesc; Puiggalí Bellalta, Jordi; Cativiela Marín, Carlos A.; Alemán Llansó, Carlos (2015-11-01)
    Article
    Restricted access - publisher's policy
    Three different tetraphenylalanine (FFFF) based peptides that differ at the N- and C-termini have been synthesized by using standard procedures to study their ability to form different nanoassemblies under a variety of ...
  • Electroactive polymer-peptide conjugates for adhesive biointerfaces 

    Maione, Silvana; Gil, Ana M.; Fabregat Jové, Georgina; Valle Mendoza, Luis Javier del; Triguero Enguídanos, Jordi; Laurent, A.; Jacquemin, Denis; Estrany Coda, Francesc; Jimenez Sanz, Ana Isabel; Zanuy Gomara, David; Cativiela, Carlos; Alemán Llansó, Carlos (Royal Society of Chemistry, 2015-01-01)
    Article
    Restricted access - publisher's policy
    Electroactive polymer-peptide conjugates have been synthesized by combining poly(3,4-ethylenedioxythiophene), a polythiophene derivative with outstanding properties, and an Arg-Gly-Asp (RGD)-based peptide in which Gly has ...

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