Browsing Articles publicats en revistes by Title
Now showing items 209-228 of 256
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Simulaciones para aprender sobre el enlace, la geometría de las moléculas y la estructura de las sustancias
(Alambique. Vol.86 (2016), p.34-38, 2016)Las herramientas de modelización molecular son de uso común en investigación ypermiten explorar las estructuras de las entidades químicas y predecir las propiedades de las mismas. Del mismo modo, estos ... -
Simulación de procesos con controladores lógico-programables (PLC’s)
(Afinidad. Vol.71, n.566 (2014), p.95-100, 2014-04)La realización de prácticas en el laboratorio de control de procesos presenta como mayor dificultad el coste asociado al funcionamiento del proceso, debido al consumo de reactivos, de energía o a la ... -
Simulation Approach for Hydrophobicity Replication via Injection Molding
(Polymers, 2021-06-23)Nanopattern replication of complex structures by plastic injection is a challenge that requires simulations to define the right processing parameters. Previous work managed to simulate replication for ... -
Singlet oxygen in antimicrobial photodynamic therapy: photosensitizer-dependent production and decay in E. coli
(Molecules. Vol.18, n.3 (2013), p.2712-2725, 2013-02)Several families of photosensitizers are currently being scrutinized for antimicrobial photodynamic therapy applications. Differences in physical and photochemical properties can lead to different ... -
Síntesis y aplicación de homocompuestos de TiO2 a la eliminación de contaminantes
(Afinidad. Vol.68, n.554 (2011), p.259-262, 2011-07)Existen ciertos problemas de ingeniería para la uso generalizado de reacciones fotocatalíticas. La utilización de catalizadores en forma de partículas es el mayor causante de opacidad en el medio y ... -
Smart dual-functionalized gold nanoclusters for spatio-temporally controlled delivery of combined chemo- and photodynamic therapy
(Nanomaterials. Vol.10, n.12 (2020), 2474, 2020-12)We report the preparation of gold nanoclusters (AuNCs) as a delivery vehicle for the clinically approved photodynamic and chemotherapeutic agents Protoporphyrin IX (PpIX) and doxorubicin (DOX), respectively, ... -
Smooth muscle cells orchestrate the endothelial cell response to flow and injury
(Circulation. Vol.121, n.20 (2010), p.2192–2199, 2010-05)Background—Local modulation of vascular mammalian target of rapamycin (mTOR) signaling reduces smooth muscle cell (SMC) proliferation after endovascular interventions but may be associated with endothelial ... -
Stochastic modeling reveals kinetic heterogeneity in post-replication DNA methylation
(PLoS Computational Biology. Vol. 16, n.4 (2020), e1007195, 2020-04)DNA methylation is a heritable epigenetic modification that plays an essential role in mammalian development. Genomic methylation patterns are dynamically maintained, with DNA methyltransferases mediating ... -
Structural analysis of an automotive interior system: practical learning in the context of the new EHEA
(DYNA. Vol.91 (May 2016), p.272-276, 2016-05)At the IQS School of Engineering, practices has been implemented that bring students to the industrial environment through real cases. This action is in accordance with the philosophy of the European ... -
Structural implications of the DFD-in domain in computer-aided molecular design of MAP kinase interacting kinase 2 inhibitors
(Afinidad. Vol.74, n.578 (2017), p.83-89, 2017-04)Protein translation is a key process on cell development and proliferation that is often deregulated in cancer. MAP kinase interacting kinases 1 and 2 (Mnk1/2) play a pivotal role in regulating the ... -
Structural-functional analysis reveals a specific domain organization in family GH20 hexosaminidases
(PLoS ONE. Vol.10, n.5 (2015), e0128075, 2015-05)Hexosaminidases are involved in important biological processes catalyzing the hydrolysis of N-acetyl-hexosaminyl residues in glycosaminoglycans and glycoconjugates. The GH20 enzymes present diverse ... -
Structure-function features of a mycoplasma glycolipid synthase derived from structural data integration, molecular simulations, and mutational analysis
(PLoS One. Vol.8, n.12 (2013), e81990, 2013-12)Glycoglycerolipids are structural components of mycoplasma membranes with a fundamental role in membrane properties and stability. Their biosynthesis is mediated by glycosyltransferases (GT) that catalyze ... -
Subdiffraction localization of a nanostructured photosensitizer in bacterial cells
(Scientific Reports. Vol.5, 15564 (2015), 2015-10)Antibacterial treatments based on photosensitized production of reactive oxygen species is a promising approach to address local microbial infections. Given the small size of bacterial cells, identification ... -
Substrate distortion in the Michaelis complex of Bacillus 1,3–1,4-β-glucanase: insight from first principles molecular dynamics simulations
(Journal of Biological Chemistry. Vol.281, n.3 (2006), p.1432–1441, 2006-01)The structure and dynamics of the enzyme-substrate complex of Bacillus 1,3–1,4-β-glucanase, one of the most active glycoside hydrolases, is investigated by means of Car-Parrinello molecular dynamics ... -
Sustainable development: The stock market's view of environmental policy
(Business Strategy and the Environment, 2020-07-08)This study applies panel data regression models to investigate how the stock market values the environmental policy of the firm. The empirical analysis relies on a cross-country sample of public firms ... -
Syndecans and Pancreatic Ductal Adenocarcinoma
(Biomolecules, 2021-02-25)Pancreatic Ductal Adenocarcinoma (PDAC) is a fatal disease with poor prognosis because patients rarely express symptoms in initial stages, which prevents early detection and diagnosis. Syndecans, a ... -
Synthesis, photophysical characterization and photoinduced antibacterial activity of methylene blue-loaded amino- and mannose-targeted mesoporous silica nanoparticles
(Molecules. Vol.20, n.4 (2015), p.6284-6298, 2015-04)Over the last 20 years, the number of pathogenic multi-resistant microorganisms has grown steadily, which has stimulated the search for new strategies to combat antimicrobial resistance. Antimicrobial ... -
Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease
(European Journal of Medicinal Chemistry, 2021-12-15)Transthyretin (TTR) has a well-established role in neuroprotection in Alzheimer's Disease (AD). We have setup a drug discovery program of small-molecule compounds that act as chaperones enhancing ... -
Teaching Cheminformatics through a Collaborative Intercollegiate Online Chemistry Course (OLCC)
(Journal of Chemical Education, 2020-12-21)While cheminformatics skills necessary for dealing with an ever-increasing amount of chemical information are considered important for students pursuing STEM careers in the age of big data, many schools ... -
Tetramethylbenzidine: an acoustogenic photoacoustic probe for reactive oxygen species detection
(Sensors. Vol.20, n.20 (2020), 5952, 2020-10)Photoacoustic imaging is attracting a great deal of interest owing to its distinct advantages over other imaging techniques such as fluorescence or magnetic resonance image. The availability of photoacoustic ...