Recent Submissions

  • An experimental-computer modeling study of inorganic phosphates surface adsorption on hydroxyapatite particles 

    Rivas Cañas, Manuel; Casanovas Salas, Jordi; Valle Mendoza, Luis Javier del; Bertran Cànovas, Òscar; Revilla López, Guillermo; Turon Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (Royal Society of Chemistry, 2015-01-01)
    Article
    Open Access
    The adsorption of orthophosphate, pyrophosphate, triphosphate and a trisphosphonate onto hydroxyapatite has been examined using experiments and quantum mechanical calculations. Adsorption studies with FTIR and X-ray ...
  • Microfibres of conducting polythiophene and biodegradable poly(ester urea) for scaffolds 

    Planellas Oates, Marc; Pérez Madrigal, Maria del Mar; Valle Mendoza, Luis Javier del; Kobauri, Sophio; Katsarava, Ramaz; Alemán Llansó, Carlos; Puiggalí Bellalta, Jordi (2015-01-01)
    Article
    Restricted access - publisher's policy
    Hybrid scaffolds constituted of a mixture of conducting and biodegradable polymers are obtained by the electrospinning technique. Specifically, poly(3-thiophene methyl acetate) (P3TMA) and a copolymer derived from L-leucine, ...
  • 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
    Restricted access - publisher's policy
    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 ...
  • 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 ...
  • Synergistic approach to elucidate the incorporation of magnesium ions into hydroxyapatite 

    Bertran Cànovas, Òscar; Valle Mendoza, Luis Javier del; Revilla López, Guillermo; Rivas Cañas, Manuel; Chaves Barboza, Gustavo Adolfo; Casas Becerra, María Teresa; Casanovas Salas, Jordi; Turon Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2015-02-02)
    Article
    Restricted access - publisher's policy
    Although the content of Mg2+ in hard tissues is very low (typically 1.5wt%), its incorporation into synthetic hydroxyapatite (HAp) particles and its role in the mineral's properties are still subject of intensive debate. ...
  • 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
    Open Access
    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 ...
  • Soluble polythiophenes as anticorrosive additives for marine epoxy paints 

    Martí, M.; Armelín Diggroc, Elaine Aparecida; Iribarren Laco, José Ignacio; Alemán Llansó, Carlos (2015-01-01)
    Article
    Open Access
    This study compares the resistance against corrosion of a marine epoxy primer modified with Zn-3(PO4)(2) (10 wt%) or a small concentration (0.3 wt%) of conducting polymer (CP) as inorganic or organic anticorrosive pigment, ...
  • Smart paint for anodic protection of steel 

    Silva, Rodrigo Sanchonete; Alemán Llansó, Carlos; Ferreira, Carlos Arthur; Armelín Diggroc, Elaine Aparecida; Ferreira, Jane Zoppas; Meneguzzi, Alvaro (2015-01-01)
    Article
    Open Access
    In order to overcome the difficulties associated to the solubility and mechanical integrity of polyaniline (PAni) films, in this work we develop a binder by mixing PAni in the oxidized and undoped state (emeraldine base ...
  • Effect of the graft ratio on the properties of polythiophene-g-poly(ethylene glycol) 

    Maione, Silvana; Fabregat Jové, Georgina; Valle Mendoza, Luis Javier del; Bendrea, Anca Dana; Cianga, Luminita; Cianga, Ioan; Estrany Coda, Francesc; Alemán Llansó, Carlos (2015-02-15)
    Article
    Open Access
    Graft copolymers formed by anchoring poly(ethylene glycol) (PEG) chains to conjugated polythiophene have been prepared by copolymerizing two compounds: unsubstituted -terthiophene (Th-3) and a thiophene-derived macromonomer ...
  • 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 ...

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