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IMEM - Innovació, Modelització i Enginyeria en (BIO) Materials

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Vista preliminarDataTítolAutor(s)
19-set-2014Polyaniline emeraldine salt in the amorphous solid state: polaron versus bipolaronCanales Gabriel, Manel; Torras Costa, Juan; Fabregat Jove, Georgina; Meneguzzi, Alvaro; Alemán Llansó, Carlos
1-set-2014Anhydric maleic functionalization and polyethylene glycol grafting of lactide-co-trimethylene carbonate copolymersDíaz Andrade, Angélica María; Valle Mendoza, Luis Javier del; Franco García, María Lourdes; Sarasua, Jose-Ramon; Estrany Coda, Francesc; Puiggalí Bellalta, Jordi
20-ago-2014Synergistic computational-experimental approach to improve ionene polymer-based functional hydrogelsBachl, Jürgen; Zanuy Gomara, David; López Pérez, Daniel Ernesto; Revilla López, Guillermo; Cativiela, Carlos; Alemán Llansó, Carlos; Diaz Diaz, David
18-ago-2014Exploiting molecular self-assembly: from urea-based organocatalysts to multifunctional supramolecular gelsSchoen, Eva Maria; Marques Lopez, Eugenia; Herrera, Raquel P.; Alemán Llansó, Carlos; Diaz Diaz, David
13-ago-2014Incorporation of a clot-binding peptide into polythiophene: properties of composites for biomedical applicationsFabregat Jové, Georgina; Cruz Teixeira Dias, Bruno José da; Valle Mendoza, Luis Javier del; Armelín Diggroc, Elaine Aparecida; Estrany Coda, Francesc; Alemán Llansó, Carlos
15-jul-2014Sol-gel hybrid films based on organosilane and montmorillonite for corrosion inhibition of AA2024Dalmoro, V.; Dos Santos, J.H.Z.; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos; Azambuja, Denise S.
1-jul-2014Electro-biocompatibility of conjugates designed by chemical similarityMaione, Silvana; Fabregat Jové, Georgina; Valle Mendoza, Luis Javier del; Ballano Ballano, María Gema; Cativiela, Carlos; Alemán Llansó, Carlos
1-mai-2014Selective detection of dopamine combining multilayers of conducting polymers with gold nanoparticlesFabregat Jové, Georgina; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos
4-mar-2014Molecular dynamics simulation study of methanesulfonic acidCanales Gabriel, Manel; Alemán Llansó, Carlos
c4cp00234b.pdf.jpg25-feb-2014A rational design for the selective detection of dopamine using conducting polymersFabregat Jové, Georgina; Casanovas Salas, Jordi; Redondo Negrete, Edurne; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos
mineralization_of_DNA.pdf.jpg7-gen-2014Mineralization of DNA into nanoparticles of hydroxyapatiteBertran Cànovas, Òscar; Valle Mendoza, Luis Javier del; Revilla López, Guillermo; Chaves Barboza, Gustavo Adolfo; Cardús Andreu, Lluís; Casas Becerra, María Teresa; Casanovas Salas, Jordi; Turon, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos
c3sm52831f.pdf.jpg1-gen-2014A single-residue substitution inhibits fibrillization of Ala-based pentapeptides. A spectroscopic and molecular dynamics investigationCaruso, M.; Gatto, Emanuela; Placidi, E.; Venanzi, Mariano; Ballano Ballano, María Gema; Formaggio, Fernando; Toniolo, Claudio; Zanuy Gomara, David; Alemán Llansó, Carlos
c4tb01184h.pdf.jpg1-gen-2014DNA adsorbed on hydroxyapatite surfacesValle Mendoza, Luis Javier del; Bertran Cànovas, Òscar; Chaves Barboza, Gustavo Adolfo; Revilla López, Guillermo; Rivas Cañas, Manuel; Casanovas Muñoz, Jordi; Turon Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos; Casas, Maria Teresa
c3tc32116a.pdf.jpg1-gen-2014Synthesis and evaluation of a PVDF-PT3MA-Zn2SiO4:Mn hybrid polymeric composite for optical device applicationsGomes, Alex Linardi; Lang, Rossano; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos; Sinezio De Carvalho Campos, Joao
gen-2014Poly(butylene azelate-co-butylene succinate) copolymers: Crystalline morphologies and degradationDíaz Andrade, Angélica María; Franco García, María Lourdes; Estrany Coda, Francesc; Valle Mendoza, Luis Javier del; Puiggalí Bellalta, Jordi
document(1).pdf.jpg28-des-2013Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: A molecular modeling approachZanuy Gomara, David; Alemán Llansó, Carlos
2-des-2013Novel epoxy coating based on DMSO as a green solvent, reducing drastically the volatile organic compound content and using conducting polymers as a nontoxic anticorrosive pigmentMartí Barroso, Mireia; Molina Pérez, Laura; Alemán Llansó, Carlos; Armelín Diggroc, Elaine Aparecida
polymers-05-01115.pdf.jpg1-set-2013Nanomembranes and nanofibers from biodegradable conducting polymersLlorens Domenjó, Elena; Armelín Diggroc, Elaine Aparecida; Pérez Madrigal, Maria del Mar; Valle Mendoza, Luis Javier del; Alemán Llansó, Carlos; Puiggalí Bellalta, Jordi
RevSciInstrum_84_053904.pdf.jpg15-jun-2013Sensitive thermal transitions of nanoscale polymer samples using the bimetallic effect: Application to ultra-thin polythiopheneAhumada Heredero, Óscar; Pérez Madrigal, Maria del Mar; Ramírez García, Jorge; Curcó Cantarell, David; Esteves, Carina; Armelín Diggroc, Elaine Aparecida; Luongo, Giovanni; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos; Salvador Matar, Antonio
jun-2013Nanometric ultracapacitors fabricated using multilayer of conducting polymers on self-assembled octanethiol monolayersAradilla Zapata, David; Pérez Madrigal, Maria del Mar; Estrany Coda, Francesc; Azambuja, Denise S.; Iribarren Laco, José Ignacio; Alemán Llansó, Carlos
16-mai-2013Computer simulation of fifth generation dendronized polymers: impact of charge on internal organizationBertran Cànovas, Òscar; Zhang, Baozhong; Schlüter, A. Dieter; Kröger, Martin; Alemán Llansó, Carlos
15-mai-2013A synergistic combination of tetraethylorthosilicate and multiphosphonic acid offers excellent corrosion protection to AA1100 aluminum alloyDalmoro, Viviane; dos Santos, João Henrique Zimnoch; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos; Azambuja, Denise S.
mai-2013Sequence dependence of C-end rule peptides in binding and activation of > neuropilin-1 receptorZanuy Gomara, David; Kotla, Rohith; Nussinov, Ruth; Teesalu, Tambet; Sugahara, Kazuki N.; Alemán Llansó, Carlos; Haspel, Nurit
modeling_biominerals_formed.pdf.jpg8-abr-2013Modeling biominerals formed by apatites and DNARevilla López, Guillermo; Casanovas, Jordi; Bertran Cànovas, Òscar; Turon, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos
24-feb-2013Journal of Structural BiologyZanuy Gomara, David; Kotla, Rohith; Nussinov, Ruth; Teesalu, Tambet; Sugahara, Kazuki N.; Alemán Llansó, Carlos; Haspel, Nurit
gen-2013Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homingZanuy 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
document.pdf.jpg2013Polythiophene-g-poly(ethylene glycol) graft copolymers for electroactive scaffoldsBendrea, Anca Dana; Fabregat Jové, Georgina; Torras Costa, Juan; Maione, Silvana; Cianga, Ioan; Valle Mendoza, Luis Javier del; Cianga, Luminita; Alemán Llansó, Carlos
2013Conducting polymers obtained from quiescent and stirred solutions: Effects on the propertiesSánchez Jiménez, Margarita; Alemán Llansó, Carlos; Estrany Coda, Francesc
atomistic_organization.pdf.jpg2013Atomistic organization and characterization of tube-like assemblies comprising peptide-polymer conjugates: computer simulation studiesBertran Cànovas, Òscar; Curcó Cantarell, David; Zanuy Gomara, David; Alemán Llansó, Carlos
set-2012Stochastic simulation of structural properties of natively unfolded and denatured proteinsCurcó Cantarell, David; Michaux, Catherine; Roussel, Guillaume; Tinti, Emmanuel; Perpete, Eric A.; Alemán Llansó, Carlos
28-jul-2012Properties of poly(3-halidethiophene)sCasanovas, Jordi; Aradilla Zapata, David; Poater, Jordi; Solà, Miquel; Estrany Coda, Francesc; Alemán Llansó, Carlos
jul-2012Phosphonic acid/silica-based films: A potential treatment for corrosion protectionDalmoro, V.; dos Santos, João Henrique Zimnoch; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos; Azambuja, Denise S.
19-jun-2012Reviewing Extrapolation Procedures of the Electronic Properties on the p-Conjugated Polymer LimitTorras Costa, Juan; Casanovas, Jordi; Alemán Llansó, Carlos
14-jun-2012Hybrid polythiophene-clay exfoliated nanocomposites for ultracapacitor devicesAradilla Zapata, David; Azambuja, Denise S.; Estrany Coda, Francesc; Casas Becerra, María Teresa; Ferreira, Carlos A.; Alemán Llansó, Carlos
30-abr-2012Ultraporous poly(3,4-ethylenedioxythiophene) for nanometric electrochemical supercapacitorAradilla Zapata, David; Estrany Coda, Francesc; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos
26-abr-2012Controlling the morphology of poly(N -cyanoethylpyrrole)Fabregat Jové, Georgina; Alemán Llansó, Carlos; Casas Becerra, María Teresa; Armelín Diggroc, Elaine Aparecida
response.pdf.jpg19-abr-2012Response of crown ether functionalized polythiophenes to alkaline ionsZanuy Gomara, David; Preat, Julien; Perpete, Eric A.; Alemán Llansó, Carlos
10-abr-2012Properties of oligothiophene dendrimers as a function of molecular architecture and generation numberCórdova Mateo, Esther; Rodríguez Ropero, Francisco; Bertran Cànovas, Òscar; Alemán Llansó, Carlos
abr-2012Evaluation of an environmentally friendly anticorrosive pigment for alkyd primerMartí Barroso, Mireia; Fabregat Jové, Georgina; Azambuja, Denise S.; Alemán Llansó, Carlos; Armelín Diggroc, Elaine Aparecida
1-mar-2012Thermodynamic and stereochemical aspects of the polymerizability of glycolide and lactideAlemán Llansó, Carlos; Bertran Cànovas, Òscar; Houk, K.N.; Padias, Anne Buyle; Hall, H.K.
1-mar-2012Effects of ring contraction on the conformational preferences of a-substituted proline analogsRevilla López, Guillermo; Warren, Javier G.; Torras Costa, Juan; Jiménez, Ana I.; Cativiela, Carlos; Alemán Llansó, Carlos
on_the_modeling.pdf.jpg14-feb-2012On the modeling of aggregates of an optically active regioregular polythiopheneTorras Costa, Juan; Sanchez Navas, Cristina; Bertran Cànovas, Òscar; Alemán Llansó, Carlos
2012Water absorbed by polyaniline emeraldine tends to organize, forming nanodropsCasanovas, Jordi; Canales Gabriel, Manel; Fabregat Jové, Georgina; Meneguzzi, Álvaro; Alemán Llansó, Carlos
4-nov-2011Electronic 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
20-oct-2011Self-assembly of Fmoc-tetrapeptides based on the RGDS cell adhesion motifAlemán Llansó, Carlos; Castelletto, V.; Moulton, C.M.; Cheng, G.; Hamley, I. W.; Hicks, Mathew R.; Rodger, Alison; López Pérez, David Orencio; Revilla López, Guillermo
15-set-2011A computational study of Neuromedin BSharma, Parul; Singh, Parvesh; Bisetty, Krishna; Pérez González, Juan Jesús
21-jul-2011Modeling the tetraphenylalanine-PEG hybrid amphiphile: from DFT calculations on the peptide to molecular dynamics simulations on the conjugateZanuy Gomara, David; Hamley, I. W.; Alemán Llansó, Carlos
30-jun-2011Microstructures of poly(N-methylpyrrole) and their interaction with morphineCruz Teixeira Dias, Bruno José da; Alemán Llansó, Carlos; Estrany Coda, Francesc; Azambuja, Denise S.; Armelín Diggroc, Elaine Aparecida
1-jun-2011Avances tecnológicos en la detección de neurotransmisoresBertran Cànovas, Òscar; Fabregat Jové, Georgina; Córdova Mateo, Esther; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos
ci100501d.pdf.jpgjun-2011Rational design of new class of BH3-mimetics as inhibitors of the Bcl-X(L) proteinPinto Manresa, Marta; Orzaez, Maria del Mar; Delgado-Soler, L.; Pérez González, Juan Jesús; Rubio Martinez, Jaime
mai-2011Alterations in the photoactivation pathway of rhodopsin mutants associated with retinitis pigmentosaBosch Presegué, Laia; Ramon Portés, Eva; Toledo, Darwin; Cordomí Montoya, Arnau; Garriga Solé, Pere
31-mar-2011Structural and Electronic Properties of Poly[N-(2-cyanoalkyl)pyrrole]s Bearing Small Alkyl GroupsAradilla Zapata, David; Torras Costa, Juan; Alemán Llansó, Carlos
15-mar-2011Binding of a C-end rule peptide to the neuropilin-1 receptor: a molecular modeling approachHaspel, Nurit; Zanuy Gomara, David; Nussinov, Ruth; Teesalu, Tambet; Ruoslahti, Erkki; Alemán Llansó, Carlos
mar-2011A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: application to peptidesCurcó, David; Zanuy Gomara, David; Nussinov, Ruth; Alemán Llansó, Carlos
10-feb-2011Key building block of photoresponsive biomimetic systemsRevilla López, Guillermo; Laurent,, Adele D.; Perpete, Eric A.; Jacquemin, Denis; Torras Costa, Juan; Assfeld, Xavier; Alemán Llansó, Carlos
feb-2011Peptide-based materials: from nanostructures to applicationsBianco, Alberto; Venanzi, M.; Alemán Llansó, Carlos
field-induced.pdf.jpg6-des-2010Field-Induced Transport in Sulfonated Poly(styrene-co-divinylbenzene) MembranesBertran Cànovas, Òscar; Curcó, David; Torras Costa, Juan; Ferreira, Carlos A.; Alemán Llansó, Carlos
15-nov-2010Incorporation of deMon2k as a new parallel quantum mechanical code for the PUPIL systemBertran Cànovas, Òscar; Trickey, Samuel; Torras Costa, Juan
TRANSPORT.pdf.jpg30-set-2010Transport of Metallic Ions through Polyaniline-containing composite membranesFerreira, Carlos; Casanovas, Jordi; Rodrigues, Marco A. S.; Muller, Francielli; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos
16-set-2010Conformational preferences of proline analogues with a fused benzene ringWarren, Javier G.; Revilla López, Guillermo; Alemán Llansó, Carlos; Jimenez Sanz, Ana Isabel; Cativiela, Carlos; Torras Costa, Juan
set-2010Partial replacement of metallic zinc dust in heavy duty protective coatings by conducting polymerArmelín Diggroc, Elaine Aparecida; Martí Barroso, Mireia; Liesa Mestres, Francisco; Iribarren Laco, José Ignacio; Alemán Llansó, Carlos
19-ago-2010Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine UnitZanuy 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
5-ago-2010Modeling of amorphous polyaniline emeraldine baseCanales Gabriel, Manel; Curcó, David; Alemán Llansó, Carlos
4-ago-2010Relaxation of amorphous multichain polymer systems using inverse kinematicsCortés, Juan; Carrión Fajardo, Sergio; Curcó, David; Renaud, M; Alemán Llansó, Carlos
2-ago-2010Characterization and Properties of Poly[N-(2-cyanoethyl)pyrrole]Aradilla Zapata, David; Estrany Coda, Francesc; Armelín Diggroc, Elaine Aparecida; Oliver, R.; Iribarren Laco, José Ignacio; Alemán Llansó, Carlos
3-jun-2010Modeling the Structural and Electronic Properties of an Optically Active Regioregular PolythiopheneBertran Cànovas, Òscar; Torras Costa, Juan; Alemán Llansó, Carlos
jun-2010Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)sPreat, Julien; Rodríguez Ropero, Francisco; Torras Costa, Juan; Bertran Cànovas, Òscar; Zanuy Gomara, David; Alemán Llansó, Carlos
17-mai-2010Influence of the doping level on the interactions between poly(3,4-ethylenedioxythiophene) and plasmid DNAZanuy Gomara, David; Valle Mendoza, Luis Javier del; Estrany Coda, Francesc; Armelín Diggroc, Elaine Aparecida; Alemán Llansó, Carlos; Teixeira-Dias, Bruno José Da Cruz
ncad.pdf.jpg10-mai-2010NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acidsAlemán 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
22-abr-2010Poly(2-thiophene-3-yl-malonic acid), a Polythiophene with Two Carboxylic Acids Per Repeating UnitBertran Cànovas, Òscar; Armelín Diggroc, Elaine Aparecida; Estrany Coda, Francesc; Gomes, Alex; Torras Costa, Juan; Alemán Llansó, Carlos
17-feb-2010Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solventRodríguez García, Alejandro; Mokoema, Pol; Corcho Sánchez, Francisco José; Bisetty, Krishna; Pérez González, Juan Jesús
gen-2010Examining the planarity of poly(3,4-ethylenedioxythiophene): consideration of self-rigidification, electronic, and geometric effectsPoater, Jordi; Casanovas, Jordi; Solà, Miquel; Alemán Llansó, Carlos
gen-2010Electronic characterization of all-thiophene conducting dendrimers: molecules and assembliesRodríguez Ropero, Francisco; Zanuy Gomara, David; Alemán Llansó, Carlos
26-oct-2009Structural and electronic properties of poly(thiaheterohelicene)sTorras Costa, Juan; Bertran Cànovas, Òscar; Alemán Llansó, Carlos
oct-2009Conformational Preferences of 1-Amino-2-phenylcyclohexanecarboxylic Acid, a Phenylalanine Cyclohexane AnalogueAlemán Llansó, Carlos; Jimenez, Ana I; Cativiela, Carlos; Nussinov, Ruth; Casanovas, Jordi
27-mai-2009Characterization and properties of a polythiophene with a malonic acid dimethyl ester side groupArmelín Diggroc, Elaine Aparecida; Bertran Cànovas, Òscar; Estrany Coda, Francesc; Salvatella, Roser; Alemán Llansó, Carlos
feb-2009Structural characterization of a zinc high-affinity binding site in rhodopsinDarwin, Toledo; Cordomí Montoya, Arnau; Proietti, Maria Grazia; Maurizio, Benfatto; Valle Mendoza, Luis Javier del; Pérez González, Juan Jesús; Garriga Solé, Pere; Sepulcre Sánchez, Francesc
2009A first principle analysis of the structure of oligoanilines doped with alkylsulfonic acidsCasanovas, Jordi; Canales Gabriel, Manel; Ferreira, Carlos; Alemán Llansó, Carlos
2009Computational investigation of the conformational profile of the four stereomers of Ac-L-Pro-c(3)Phe-NHMe (c(3)Phe= 2,3-methanophenylalanine)Rodríguez García, Alejandro; Cantó Silva, Josep; Corcho Sánchez, Francisco José; Pérez González, Juan Jesús
feb-2008Eliminación del nitrógeno amoniacal en aguas residuales sanitariasSiles Fernández, Esther; Monforte Garrido, José; Estrany Coda, Francesc; Oliver Pujol, Ramon; Carreras Coma, Sergi
doc1.pdf.jpg2007Complete maps of molecular-loop conformational spacesPorta Pleite, Josep Maria; Ros Giralt, Lluís; Thomas, Federico; Corcho Sánchez, Francisco José; Cantó Silva, Josep; Pérez, Juan J.
25-jul-2006Software integration in multi-scale simulations: the PUPIL systemTorras Costa, Juan; Deumens, Erik; Trickey, Samuel
20-feb-2001Chemisorption of molecular oxygen on Cu(1 0 0): a Hartree¿Fock and density functional studyTorras Costa, Juan; Lacaze-Dufaure, C.; Russo, Beniamino; Ricart Pla, Josep Manel
23-mai-1997Density functional study of atomic nitrogen and oxygen chemisorption on model clusters simulating the Cu and Ag ( 100) surfacesTorras Costa, Juan; Toscano, M; Ricart Pla, Josep Manel; Russo, Beniamino
10-mar-1997Ab initio cluster model study of geometry and bonding character of atomic nitrogen chemisorbed on the Cu(100) and Ag(100) surfacesRicart Pla, Josep Manel; Torras Costa, Juan; Rubio, Jaime; Illas, Francesc
2-feb-1997Cluster model study of the chemisorption of atomic carbon on Si(100) surfacesTorras Costa, Juan; Ricart Pla, Josep Manel; Vilarrubias, Pere; Fraxedas, J.

 

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