Exploració per autor "Torras Costa, Juan"
Ara es mostren els items 51-64 de 64
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Self-assembly of diphenylalanine with preclick components as capping groups
Gemma, Andrea; Mayans Tayadella, Enric; Ballano Ballano, María Gema; Torras Costa, Juan; Díaz Andrade, Angélica María; Jimenez Sanz, Ana Isabel; Puiggalí Bellalta, Jordi; Cativiela Marín, Carlos A.; Alemán Llansó, Carlos (2017-01-01)
Article
Accés obertAlkyne and azide, which are commonly used in the cycloaddition reaction recognized as “click chemistry”, have been used as capping groups of two engineered diphenylalanine (FF) derivatives due to their ability to form weak ... -
Self-assembly of lipopeptides containing short peptide fragments derived from the gastrointestinal hormone PYY3-36: from micelles to amyloid fibrils
Hutchinson, Jessica A.; Hamley, I. W.; Torras Costa, Juan; Alemán Llansó, Carlos; Seitsonen, Jani; Ruokolainen, Janne (American Chemical Society (ACS), 2019-01-04)
Article
Accés obertWe investigate the impact of lipidation on the self-assembly of two peptide fragments from the gastrointestinal peptide hormone PYY3–36. The lipopeptides C16IKPEAP and C16IKPEAPGE contain the first 6 and 8 amino acid ... -
Software integration in multi-scale simulations: the PUPIL system
Torras Costa, Juan; Deumens, Erik; Trickey, Samuel (2006-07-25)
Article
Accés restringit per política de l'editorialThe state of the art for computational tools in both computational chemistry and computational materials physics includes many algorithms and functionalities which are implemented again and again. Several projects aim to ... -
Solvent effects on the properties of hyperbranched polythiophenes
Torras Costa, Juan; Zanuy Gomara, David; Aradilla, David; Alemán Llansó, Carlos (2016-08-11)
Article
Accés obertThe structural and electronic properties of all-thiophene dendrimers and dendrons in solution have been evaluated using very different theoretical approaches based on quantum mechanical (QM) and hybrid QM/molecular mechanics ... -
Structural and electronic properties of poly(thiaheterohelicene)s
Torras Costa, Juan; Bertran Cànovas, Òscar; Alemán Llansó, Carlos (2009-10-26)
Article
Accés restringit per política de l'editorialQuantum chemical methods have been applied on model oligomers of poly(thiaheterohelicene)s to investigate the structural and electronic properties of these systems. Specifically, the properties of the helical structures found ... -
Structural and Electronic Properties of Poly[N-(2-cyanoalkyl)pyrrole]s Bearing Small Alkyl Groups
Aradilla Zapata, David; Torras Costa, Juan; Alemán Llansó, Carlos (2011-03-31)
Article
Accés restringit per política de l'editorialThe electronic and structural properties of poly[N-(2-cyanoalkyl) pyrrole]s bearing short alkyl groups have been investigated using different methodologies. Specifically, the electronic properties of poly[N-(2- cyanoeth ... -
Study on the control of porosity in films of polythiophene derivatives
Ruano Torres, Guillem; Alemán Llansó, Carlos; Torras Costa, Juan (Elsevier, 2019-11-07)
Article
Accés obertConducting polymers typically exhibit different oxidation states, which are easily interchangeable among them by means of the application of an electrical potential. In this work, we present a theoretical and experimental ... -
Synthesis and characterization of a new benzobisoxazole/thiophene derivative polymer and the effect of the substituent on the push/pull properties
Ahumada, Juan Carlos; Soto Galdámes, Juan Pablo; Alemán Llansó, Carlos; Torras Costa, Juan (Wiley, 2021-12-15)
Article
Accés obertConducting polymer synthesis of a new benzobisoxazole/thiophene derivative is reported. The conjugated co-polymer presents the lowest bandgap (1.78¿eV) reported for a neutral benzobisoxazole/thiophene polymer. Electrochemical ... -
Temperature effect on the SARS-CoV-2: A Molecular dynamics study of the spike homotrimeric glycoprotein
Martí Ballesté, Dídac; Torras Costa, Juan; Bertran Cànovas, Òscar; Turon, Pau; Alemán Llansó, Carlos (Elsevier, 2021-04)
Article
Accés obertRapid spread of SARS-CoV-2 virus have boosted the need of knowledge about inactivation mechanisms to minimize the impact of COVID-19 pandemic. Recent studies have shown that SARS-CoV-2 virus can be disabled by heating, the ... -
Tethering of the IgG1 antibody to amorphous silica for immunosensor development: a molecular dynamics study
Martí Ballesté, Dídac; Ainsley, Jon; Ahumada Heredero, Óscar; Alemán Llansó, Carlos; Torras Costa, Juan (2020-10-27)
Article
Accés obertA key factor for improving the sensitivity and performance of immunosensors based on mechanical–plasmonic methods is the orientation of the antibody proteins immobilized on the inorganic surface. Although experimental ... -
The conformation and aggregation of proline-rich surfactant-like peptides
Hamley, I. W.; Castelletto, V.; Dehsorkhi, Ashkan; Torras Costa, Juan; Alemán Llansó, Carlos; Portnaya, Irina; Danino, Dganit (American Chemical Society (ACS), 2018-02-15)
Article
Accés obert -
The fully-extended conformation in peptides and proteins
Crisma, Marco; Formaggio, Fernando; Alemán Llansó, Carlos; Torras Costa, Juan; Ramakrishnan, Chandrasekharan; Kalmankar, Neha; Balaram, Padmanabhan; Toniolo, Claudio (2018-09-01)
Article
Accés obert -
The “pudding effect” to promote solar-driving water purification
Mingot Béjar, Julia; Lanzalaco, Sonia; Agueda Costafreda, Alba; Torras Costa, Juan; Armelín Diggroc, Elaine Aparecida (John Wiley & sons, 2023-12-21)
Article
Accés obertThe use of solar energy (natural) and synthetic solar absorber hydrogels (SAHs) for purification of brackish water represent a challenge. Here in, this work reports the unexpected effect achieved for water desalination ... -
Unravelling the molecular interactions between the SARS-CoV-2 RBD spike protein and various specific monoclonal antibodies
Martí Ballesté, Dídac; Alsina Cowie, Marc; Alemán Llansó, Carlos; Bertran Cànovas, Òscar; Turon, Pau; Torras Costa, Juan (2022-02)
Article
Accés obertVaccination against SARS-CoV-2 just started in most of the countries. However, the development of specific vaccines against SARS-CoV-2 is not the only approach to control the virus and monoclonal antibodies (mAbs) start ...