Ara es mostren els items 1-20 de 21

    • A theoretical approach to the engineering of bioinspired systems: design, applications & information management 

      Revilla López, Guillermo (Universitat Politècnica de Catalunya, 2011-02-17)
      Tesi
      Accés obert
      L’enginyeria de sistemes bioinspirats ha crescut en importància i nombre d’aplicacions en el últims anys, atraient l’atenció dels científics sobre els seus usos potencials en camps com ara la bionanotecnologia, la ...
    • 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; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (Royal Society of Chemistry, 2015-01-01)
      Article
      Accés obert
      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 ...
    • Analysis of nitrogen fixation by a catalyst capable of transforming N2, CO2 and CH4 into amino acids under mild reactions conditions 

      Revilla López, Guillermo; Sans Milà, Jordi; Casanovas Salas, Jordi; Bertran Cànovas, Òscar; Puiggalí Bellalta, Jordi; Turon, Pau; Alemán Llansó, Carlos (2020-04-25)
      Article
      Accés obert
      The processes related to the fixation of nitrogen ina catalyst able to produce glycine and alanine from a N2, CO2and CH4gas mixture at mild reaction conditions have been studied by combining experimental and theoretical ...
    • Biominerals formed by DNA and calcium oxalate or hydroxyapatite: a comparative study 

      Revilla López, Guillermo; Rodríguez Rivero, Anna M.; Valle Mendoza, Luis Javier del; Puiggalí Bellalta, Jordi; Turon, Pau; Alemán Llansó, Carlos (2019-09-10)
      Article
      Accés obert
      Biominerals formed by DNA and calcium oxalate (CaOx) or hydroxyapatite (HAp), the most important and stable phase of calcium phosphate) have been examined and compared using a synergistic combination of computer simulation ...
    • Close contacts at the interface: Experimental-computational synergies for solving complexity problems 

      Torras Costa, Juan; Zanuy Gomara, David; Bertran Cànovas, Òscar; Alemán Llansó, Carlos; Puiggalí Bellalta, Jordi; Revilla López, Guillermo (de Gruyter, 2018-02-15)
      Capítol de llibre
      Accés restringit per política de l'editorial
      The study of material science has been long devoted to the disentanglement of bulk structures which mainly entails finding the inner structure of materials. That structure is accountable for a major portion of materials’ ...
    • Conformational preferences of proline analogues with a fused benzene ring 

      Warren, Javier G.; Revilla López, Guillermo; Alemán Llansó, Carlos; Jimenez Sanz, Ana Isabel; Cativiela, Carlos; Torras Costa, Juan (2010-09-16)
      Article
      Accés restringit per política de l'editorial
      The intrinsic conformational preferences of indoline-2-carboxylic acid (Inc) and its R-methylated derivative (RMeInc) have been investigated using quantum mechanical calculations. Specifically, the behavior of ...
    • 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
      Accés obert
      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 ...
    • DNA adsorbed on hydroxyapatite surfaces 

      Valle Mendoza, Luis Javier del; Bertran Cànovas, Òscar; Chaves Barboza, Gustavo Adolfo; Revilla López, Guillermo; Rivas Cañas, Manuel; Casanovas Muñoz, Jordi; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos; Casas, Maria Teresa (Royal Society of Chemistry, 2014-01-01)
      Article
      Accés obert
      Hydroxyapatite (HAp) particles with very different surface charges and compositions (i.e. different Ca/P and CO32-/PO43- ratios) have been obtained by varying the experimental conditions used during the chemical precipitation ...
    • 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, ...
    • Effects of ring contraction on the conformational preferences of a-substituted proline analogs 

      Revilla López, Guillermo; Warren, Javier G.; Torras Costa, Juan; Jiménez, Ana I.; Cativiela, Carlos; Alemán Llansó, Carlos (2012-03-01)
      Article
      Accés restringit per política de l'editorial
      The structural consequences derived from the incorporation of either a methyl or a phenyl group at the a carbon of proline were recently investigated by quantum mechanical calculations (J Org Chem 2008, 73, 3418). In ...
    • Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing 

      Zanuy Gomara, David; Sayago García, Francisco Javier; Revilla López, Guillermo; Ballano Ballano, María Gema; Agemy, Lilach; Kotamraju, Venkata Ramana; Jimenez, Ana I.; Cativiela, Carlos; Nussinov, Ruth; Sawvel, April M.; Ruoslahti, Erkki; Stucky, Galen; Alemán Llansó, Carlos (2013-01)
      Article
      Accés restringit per política de l'editorial
      We present a chemical strategy to engineer analogs of the tumor-homing peptide CREKA (Cys-Arg- Glu-Lys-Ala), which binds to fibrin and fibrin-associated clotted plasma proteins in tumor vessels (Simberg et al. in Proc ...
    • Key building block of photoresponsive biomimetic systems 

      Revilla López, Guillermo; Laurent,, Adele D.; Perpete, Eric A.; Jacquemin, Denis; Torras Costa, Juan; Assfeld, Xavier; Alemán Llansó, Carlos (2011-02-10)
      Article
      Accés restringit per política de l'editorial
      The conformational, electrical, and optical intrinsic properties of L-phenylazophenylalanine (L-PAP), a nonproteinogenic photoresponsive amino acid used to modulate the binding affinity and activity of peptides and ...
    • 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 ...
    • 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 ...
    • Permanently polarized hydroxyapatite for selective electrothermal catalytic conversion of carbon dioxide into ethanol 

      Sans Milà, Jordi; Revilla López, Guillermo; Sanz Beltran, Vanesa; Puiggalí Bellalta, Jordi; Turón, Pau; Alemán Llansó, Carlos (2021-05-25)
      Article
      Accés obert
      Conversion of CO2 into valuable chemicals is not only a very challenging topic but also a socially demanding issue. In this work, permanently polarized hydroxyapatite obtained using a thermal stimulated polarization process ...
    • Prediction of total resistance coefficients using neural networks 

      Ortigosa Barragán, Inma; Revilla López, Guillermo; García Espinosa, Julio (2009-12)
      Article
      Accés obert
      The Holtrop & Mennen method is widely used at the initial design stage of ships for estimating the resistance of the ship (Holtrop and Mennen, 1982). The Holtrop & Mennen method provide a prediction of the total resistance’s ...
    • Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine Unit 

      Zanuy Gomara, David; Revilla López, Guillermo; Hamley, I. W.; Brown, Gordon D.A.; Castelletto, V.; Cheng, G.; Venanzi, M.; Caruso, M.; Placidi, E.; Alemán Llansó, Carlos (2010-08-19)
      Article
      Accés restringit per política de l'editorial
      The self-assembly of a peptide based on a sequence from the amyloid peptide but incorporating the nonnatural amino acid -2-thienylalanine (2-Thi) has been investigated in aqueous and methanol solutions. The peptide ...
    • Self-assembly of Fmoc-tetrapeptides based on the RGDS cell adhesion motif 

      Alemán Llansó, Carlos; Castelletto, V.; Moulton, C.M.; Cheng, G.; Hamley, I. W.; Hicks, Mathew R.; Rodger, Alison; López Pérez, David Orencio; Revilla López, Guillermo (2011-10-20)
      Article
      Accés restringit per política de l'editorial
      Self-assembly in aqueous solution has been investigated for two Fmoc [Fmoc = N-(fluorenyl)-9-methoxycarbonyl] tetrapeptides comprising the RGDS cell adhesion motif from fibronectin or the scrambled sequence GRDS. The ...
    • 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; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos (2015-02-02)
      Article
      Accés restringit per política de l'editorial
      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. ...