Exploració per títol
Ara es mostren els items 155338-155357 de 244457
-
Molecular dynamics simulations on self-healing behavior of ionene polymer-based nanostructured hydrogels
(Elsevier, 2020-12-21)
Article
Accés obertThe microscopic mechanism accounting for the self-healing attribute of aromatic ionene-forming hydrogels derived from 1,4-diazabicyclo[2.2.2]octane (DABCO) and N,N’-(x-phenylene)dibenzamide (x= ortho- / meta- / para-) ... -
A molecular dynamics study of nanocontact plasticity and dislocation avalanches in FCC and BCC crystals
(Universitat Politècnica de Catalunya, 2019-06-17)
Tesi
Accés obertThis study aims to investigate the underlying mechanisms which govern the development of dense defect networks in nanoscale crystal plasticity, either under contact and uniaxial loading conditions, with emphasis on the ... -
Molecular dynamics study of sliding mechanisms of Ni, amorphous Ni-p and nanocrystalline Ni films
(CIMNE, 2017)
Text en actes de congrés
Accés obertIn the paper by using molecular dynamics method we investigate the sliding feature of different nano-scale specimens: single-crystal nickel evolving from amorphous pure Ni during shear deformation, Ni-P a layer and ... -
Molecular dynamics study of the acoustic emission during nanoindentation of iron crystal
(CIMNE, 2017)
Text en actes de congrés
Accés obertIn the paper simulation of the indentation of iron crystal was carried out using the method of molecular dynamics. We investigated the effect of vibrations on the AE under the impact of a single element (indenter) with a ... -
Molecular dynamics study on the Apo- and Holo-forms of 5-lipoxygenase
(2017-09-07)
Article
Accés obertLipoxygenases (LOXs) are nonheme iron-containing enzymes catalyzing the dioxygenation of polyunsaturated fatty acids. LOX catalytic activity depends on the presence of iron in the active site and the iron removal is also ... -
Molecular engineering to introduce carbonyl between nickel salophen active sites to enhance electrochemical CO2 reduction to methanol
(Elsevier, 2022-10-05)
Article
Accés obertThe electrochemical reduction of CO2 to methanol is a potentially cost-effective strategy to reduce the concentration of this greenhouse gas while at the same time producing a value-added chemical. Herein, we detail a ... -
Molecular engineering to tune the ligand environment of atomically dispersed nickel for efficient alcohol electrochemical oxidation
(2021-09-16)
Article
Accés obertAtomically dispersed metals maximize the number of catalytic sites and enhance their activity. However, their challenging synthesis and characterization strongly complicates their optimization. Here, the aim is to demonstrate ... -
Molecular etiological profile of atypical bacterial pathogens, viruses and coinfections among infants and children with community acquired pneumonia admitted to a national hospital in Lima, Peru
(2017-12-06)
Article
Accés obertObjective The main objective of this study was to detect the presence of 14 respiratory viruses and atypical bacteria (Mycoplasma pneumoniae, Chlamydia pneumoniae), via polymerase chain reaction in patients under 18 years ... -
Molecular features characterizing non-peptide selectivity to the human B1 and B2 bradykinin receptors
(2019-01-01)
Article
Accés restringit per política de l'editorialBradykinin is produced in response to inflammation, trauma, burns, shock, allergy and some cardiovascular diseases. Actions of this peptide are mediated through two different G-protein coupled receptors, named B1 and B2 ... -
Molecular features of non-selective small molecule antagonists of the Bradykinin receptors
(2020-09-21)
Article
Accés obertAngiotensin converting enzyme 2 (ACE2) downregulation is a key negative factor for the severity of lung edema and acute lung failure observed in patients infected with SARS-CoV-2. ACE2 downregulation affects the levels of ... -
Molecular Fine Structure from Water Window X-rays
(OSA, 2014-12-01)
Article
Accés obert -
Molecular interactions in mixtures of an ionic liquid with acetone using vibrational spectroscopy
(Universitat Politècnica de Catalunya / University of Aberdeen, 2010)
Projecte/Treball Final de Carrera
Accés restringit per decisió de l'autorThe interactions of a mixture composed by 1-ethyl-3-methylimidazolium ethylsulphate [EMIM][EtSO4] and acetone are investigated. In order to carry out such a study, it is necessary to use the IR and the physico-chemical ... -
Molecular interfaces for plasmonic hot electron photovoltaics
(Royal Society of Chemistry, 2015-01-02)
Article
Accés obertThe use of self-assembled monolayers (SAMs) to improve and tailor the photovoltaic performance of plasmonic hot-electron Schottky solar cells is presented. SAMs allow the simultaneous control of open-circuit voltage, ... -
Molecular mechanisms of retinal toxicity induced by light and chemical damage
(Elsevier, 2015-10-11)
Capítol de llibre
Accés restringit per política de l'editorialIn recent years, important advances have been made to decipher the multiple defense mechanisms of the retina (a highly specialized sense tissue) against several extreme conditions, such as constant exposure to systemic ... -
Molecular mobility in hyperbranched polymers and their interaction with an epoxy matrix
(2016-03-01)
Article
Accés obertThe molecular mobility related to the glass transition and secondary relaxations in a hyperbranched polyethyleneimine, HBPEI, and its relaxation behaviour when incorporated into an epoxy resin matrix are investigated by ... -
Molecular Modeling in Enzyme Design, Toward In Silico Guided Directed Evolution
(Springer, 2017-02-15)
Capítol de llibre
Accés obertDirected evolution (DE) creates diversity in subsequent rounds of mutagenesis in the quest of increased protein stability, substrate binding, and catalysis. Although this technique does not require any structural/mechanistic ... -
Molecular Na-channel excitability from statistical physics
(2014-12-11)
Article
Accés obertThe excitable properties of the neural cell membrane is the driving mechanism of the neural pulses. Coordinated ionic fluxes across Na and K channels are the devices responsible of this function. Here we present a simple ... -
Molecular order of air-stable p-type organic thin-film transistors by tuning the extension of the pi-conjugated core: the cases of indolo[3,2-b]-carbazole and triindole semiconductors
(Royal Society of Chemistry, 2015-01-01)
Article
Accés obertCharge transport in organic devices depends strongly on the molecular order and morphology of the organic semiconductor thin films. In the design of new organic semiconductors, the selection of the appropriate core plays ... -
Molecular polarization potential as a molecular descriptor to predict biological activity of dioxins and dibenzofurans
(2016-07-06)
Article
Accés restringit per política de l'editorialMolecular interaction potential (MIP) maps are a powerful tool to develop structure-activity relationships of a series of compounds. In the present study we have studied the effect of molecular polarization on the description ... -
Molecular regulation of plant responses to shade
(Springer, 2022-09-21)
Capítol de llibre
Accés restringit per política de l'editorialIn sun-loving plants, detection of the proximity of nearby competitors triggers a set of responses known as the shade avoidance syndrome (SAS). These responses will help the plant to acclimate to the proximity of vegetation ...