Ara es mostren els items 1-20 de 177

  • 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)
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    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 ...
  • 2nd International Conference on Peptide Materials for Biomedicine and Nanotechnology : PepMat 2016, Barcelona, 14-16 March 2016 : book of abstracts 

    Alemán Llansó, Carlos; Bertran Cànovas, Òscar; Valle Mendoza, Luis Javier del; Mas Moruno, Carlos; Mayans Tayadella, Enric; Pérez Madrigal, Maria del Mar; Puiggalí Jou, Anna; Torras Costa, Juan; Triguero Enguídanos, Jordi; Zanuy Gomara, David (2016)
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  • 3D structure of a Brucella melitensis porin: molecular modelling in lipid membranes 

    Lopes Rodrigues, Maximilien; Zanuy Gomara, David; Alemán Llansó, Carlos; Michaux, Catherine Anne Gisèle; Perpète, Eric A. (2018-01-01)
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    Accés restringit per política de l'editorial
    Brucella melitensis is a pathogenic bacterium responsible for brucellosis in mammals and humans. Its outer membrane proteins (Omp) control the diffusion of solutes through the membrane, and they consequently have a crucial ...
  • A first principle analysis of the structure of oligoanilines doped with alkylsulfonic acids 

    Casanovas, Jordi; Canales Gabriel, Manel; Ferreira, Carlos; Alemán Llansó, Carlos (2009)
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    Accés restringit per política de l'editorial
    The interaction of polyaniline with alkylsulfonate dopants have been investigated at the atomic level using quantum mechanical methods. Calculations have been performed on complexes formed by dopant molecules with an alkyl ...
  • Amphiphilic polypyrrole-poly(Schiff base) copolymers with poly(ethylene glycol) side chains: synthesis, properties and applications 

    Molina, Brenda G.; Cianga, Luminita; Bendrea, Anca Dana; Cianga, Ioan; Valle Mendoza, Luis Javier del; Estrany Coda, Francesc; Alemán Llansó, Carlos; Armelín Diggroc, Elaine Aparecida (2018-08-21)
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    New amphiphilic poly(ethylene glycol) (PEG)-grafted random intrinsically conducting copolymers which combine three different functionalities have been engineered, prepared and characterized. Specifically, these “rod-coil” ...
  • A multi-step template-assisted approach for the formation of conducting polymer nanotubes onto conducting polymer films 

    Estrany Coda, Francesc; Calvet Tarragona, Aureli; Valle Mendoza, Luis Javier del; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2016-04-25)
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    After exhibiting the important limitations of the template-assisted approach when electropolymerization on simple stainless steel electrodes and electrospinning of insulating polymeric templates are combined, hollow ...
  • Amyloid-like fibrils from a diphenylalanine capped with an aromatic fluorenyl 

    Martí Ballesté, Dídac; Mayans Tayadella, Enric; Gil, Ana M.; Díaz Andrade, Angélica María; Jimenez Sanz, Ana Isabel; Yousef, Ibraheem; Keridou, Ina; Cativiela, Carlos; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2018-11-19)
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    Accés restringit per política de l'editorial
    The self-assembly behavior of a diphenylalanine amphiphile blocked at the C-terminus with a 9-fluorenylmethyl ester and stabilized at the N-terminus with a trifluoroacetate (TFA) anion, TFA·FF-OFm, has been examined. At ...
  • 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)
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    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 ...
  • Antifouling properties of papain-based antifouling coatings 

    Peres, Rafael; Armelín Diggroc, Elaine Aparecida; Moreno Martinez, Juan Antonio; Alemán Llansó, Carlos; Ferreira, Carlos Arthur (2015-06-30)
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    The aim of this work is to study the antifouling performance and water uptake behaviour of coatings formulated with papain (an environmentally friendly pigment). Antifouling coatings have been formulated using rosin (natural ...
  • Antimicrobial electrospun fibers of polyester loaded with engineered cyclic gramicidin analogues 

    Maione, Silvana; Valle Mendoza, Luis Javier del; Pérez Madrigal, Mª del Mar; Cativiela, Carlos; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2017)
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    Biodegradable polyester fibers have been loaded with two engineered analogues of gramicidin soviet. In these cyclic peptide derivatives, which were designed in a previous work to stabilize the bioactive conformation while ...
  • A rational design for the selective detection of dopamine using conducting polymers 

    Fabregat Jové, Georgina; Casanovas Salas, Jordi; Redondo Negrete, Edurne; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos (2014-02-25)
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    Poly(N-methylpyrrole) (PNMPy), poly(N-cyanoethylpyrrole) (PNCPy) and poly(3,4-ethylenedioxythiophene) (PEDOT) films have been prepared using both single and two polymerization steps for the selective determination of low ...
  • Aromatic ionene topology and counterion-tuned gelation of acidic aqueous solutions 

    Bachl, Jürgen; Bertran Cànovas, Òscar; Mayr, Judith; Alemán Llansó, Carlos; Díaz Díaz, David (2017-04-28)
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    Unusual gelation of acidic solutions was achieved using polycations bearing quaternary ammonium moieties. These ionene polymers are based on a disubstituted phenylene dibenzamide core, which allows the construction of ...
  • A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: application to peptides 

    Curcó, David; Zanuy Gomara, David; Nussinov, Ruth; Alemán Llansó, Carlos (2011-03)
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    Accés restringit per política de l'editorial
    A computational strategy to model flexible molecules tethered to a rigid inert surface is presented. The strategy is able to provide uncorrelated relaxed microstructures at the atomistic level. It combines an algorithm to ...
  • A single-residue substitution inhibits fibrillization of Ala-based pentapeptides. A spectroscopic and molecular dynamics investigation 

    Caruso, M.; Gatto, Emanuela; Placidi, E.; Venanzi, Mariano; Ballano Ballano, María Gema; Formaggio, Fernando; Toniolo, Claudio; Zanuy Gomara, David; Alemán Llansó, Carlos (2014-01-01)
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    The aggregation properties of two Ala-based pentapeptides were investigated by spectroscopic techniques and molecular dynamics (MD) simulations. The two peptides, both functionalized at the N-terminus with a pyrenyl group, ...
  • A synergistic combination of tetraethylorthosilicate and multiphosphonic acid offers excellent corrosion protection to AA1100 aluminum alloy 

    Dalmoro, Viviane; dos Santos, João Henrique Zimnoch; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos; Azambuja, Denise S. (2013-05-15)
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    Accés restringit per política de l'editorial
    This work describes a new mechanism for the incorporation of organophosphonic acid into silane self-assembly monolayers, which has been used to protect AA1100 aluminum alloy. The protection improvement has been attributed ...
  • Atomistic organization and characterization of tube-like assemblies comprising peptide-polymer conjugates: computer simulation studies 

    Bertran Cànovas, Òscar; Curcó Cantarell, David; Zanuy Gomara, David; Alemán Llansó, Carlos (2013)
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    The structure and stability of the nanotube obtained by assembling peptide-polymer conjugates consisting of two poly(n-butyl acrylate) blocks coupled to the cyclic (D-alt-L)-octapeptide cyc[(L-Gln-D-Ala-L-Lys-D-Ala)(2)], ...
  • Atomistic simulations of the structure of highly crosslinked sulfonated poly(styrene-co-divinylbenzene) ion exchange resins 

    Perez Macia, Maria A; Curcó Cantarell, David; Bringue, Roger; Alemán Llansó, Carlos; Iborra, Monserrat (2015-01-01)
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    The microscopic structures of highly crosslinked sulfonated poly(styrene-co-divinylbenzene) resins have been modeled by generating atomistic microstructures using stochastic-like algorithms, which are subsequently relaxed ...
  • Avances tecnológicos en la detección de neurotransmisores 

    Bertran Cànovas, Òscar; Fabregat Jové, Georgina; Córdova Mateo, Esther; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos (2011-06-01)
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    Accés restringit per política de l'editorial
    La combinación de los resultados que proporcionan los experimentos realizados en el laboratorio y el ordenador es una de las claves para conseguir avances científicos importantes en la investigación de la química aplicada ...
  • Binding of a C-end rule peptide to the neuropilin-1 receptor: a molecular modeling approach 

    Haspel, Nurit; Zanuy Gomara, David; Nussinov, Ruth; Teesalu, Tambet; Ruoslahti, Erkki; Alemán Llansó, Carlos (2011-03-15)
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    Accés restringit per política de l'editorial
    Neuropilin-1 (NRP-1) is a receptor that plays an essential role in angiogenesis, vascular permeability, and nervous system development. Previous studies have shown that peptides with an N-terminal Arg, especially peptides ...
  • Biodegradable nanofibrous scaffolds as smart delivery vehicles for amino acids 

    Maione, Silvana; Pérez Madrigal, Maria del Mar; Valle Mendoza, Luis Javier del; Díaz Andrade, Angélica María; Catiavela, Carlos; Franco García, María Lourdes; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2017)
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    The encapsulation of amino acids (AAs) and their correct preservation before they are ingested are challenging tasks. Nonpolar (l-alanine and l-phenylalanine), polar (l-cysteine hydrochloride and l-asparagine), and charged ...