Search results for " Molecular*"
showing 10 items of 14081 documents
Contribution des interactions tanins - protéines salivaires dans la sensation d'astringence
2015
National audience
Genome degeneration and adaptation in a nascent stage of symbiosis
2014
Symbiotic associations between animals and microbes are ubiquitous in nature, with an estimated 15% of all insect species harboring intracellular bacterial symbionts. Most bacterial symbionts share many genomic features including small genomes, nucleotide composition bias, high coding density, and a paucity of mobile DNA, consistent with long-term host association. In this study, we focus on the early stages of genome degeneration in a recently derived insect-bacterial mutualistic intracellular association. We present the complete genome sequence and annotation of Sitophilus oryzae primary endosymbiont (SOPE). We also present the finished genome sequence and annotation of strain HS, a close…
Reported prevalence of health conditions that affect drivers
2017
Drivers’ health and fitness are essential factors in order to predict performance outcomes and to promote road safety. It is a demonstrated fact that drivers with (physical and mental) health impairments or illnesses have more probabilities of being involved in traffic crashes and suffering (or causing) several injuries. The general objective of this study was to examine the prevalence of adverse health conditions that may affect Spanish drivers and its perceived impact on driving fitness. It was used a sample of 1,200 Spanish drivers (666 men and 534 women). The only selection criteria were to be in possession of any type of driving license for vehicles other than motorcycles and to drive …
Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors
2023
The present work describes the design and development of seventeen pyrimidine-clubbed benzimidazole derivatives as potential dihydrofolate reductase (DHFR) inhibitors. These compounds were filtered by using ADMET, drug-likeness characteristics calculations, and molecular docking experiments. Compounds 27, 29, 30, 33, 37, 38, and 41 were chosen for the synthesis based on the results of the in silico screening. Each of the synthesized compounds was tested for its in vitro antibacterial and antifungal activities using a variety of strains. All the compounds showed antibacterial properties against Gram-positive bacteria (Staphylococcus aureus and Staphylococcus pyogenes) as well as Gram-negativ…
Combined Spectroscopic and TD-DFT Analysis to Elucidate Substituent and Acidochromic Effects in Organic Dyes: A Case Study on Amino- versus Nitro-Sub…
2020
Made available in DSpace on 2020-12-12T01:33:30Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-01-01 A combined spectroscopic and TD-DFT case study was performed, to identify a robust method to calculate the complex near UV/Vis absorption spectra of various amino- vs. nitro-substituted 2,4-diphenylquinolines, which vary strongly under neutral and successively acidic conditions. For this, different DFT functionals were tested for geometry optimization and the TD part to calculate the neutral and different protonated species in a fast screening approach, i. e. using single point calculations in an implicit solvent. Offset-corrected M06HF, hitherto only applied to polymers, was identif…
Magnetostructural characterization of compounds based on the highly anisotropic Mn(III) and Re(IV) metal ions
2019
El trabajo desarrollado en el marco de esta Tesis confeccionada como compendio de artículos se encuentra comprendido en el campo del Magnetismo Molecular y la Química de Coordinación. La investigación desarrollada se ha centrado en la caracterización estructural y estudio de propiedades magnéticas de sistemas basados en los iones metálicos Mn(III) y Re(IV). El primero es un ion 3d mientras que el último es un ion metálico 5d. Estos iones metálicos han sido seleccionados a cuenta de que, dados los altos valores de anisotropía y espín que presentan, pueden brindar resultados destacables desde el punto de vista del Magnetismo Molecular. Centrándonos en los complejos basados en Mn (III), se ha …
Asignatura química computacional: sesiones prácticas en inglés
2020
El document forma part dels materials docents programats mitjançant l'ajut del Servei de Política Lingüística (SPL) de la Universitat de València. Ens agradaria agrair expressament el suport del SPL per incentivar la elaboració de material docent en altres llengües. En este documento hemos incluido todas las sesiones prácticas que se imparten en la asignatura de química computacional, optativa de cuarto curso dentro del grado de químicas. Esta asignatura consta de una parte teórica y después sesiones prácticas donde se realizan ejercicios correspondientes a la parte conceptual estudiada. En este documento se expone el material necesario para las sesiones prácticas referente a los temas: quí…
Asignatura química computacional: seminarios de teoría en inglés
2020
El document forma part dels materials docents programats mitjançant l'ajut del Servei de Política Lingüística (SPL) de la Universitat de València. En este documento hemos incluído todos los seminarios teóricos que se imparten en la asignatura de química computacional, optativa de cuarto curso dentro del grado de químicas. Esta asignatura consta de una parte teórica y después sesiones prácticas donde se realizan ejercicios correspondientes a la parte conceptual estudiada. En este documento se expone el material teórico impartido: química computacional, métodos ab-initio, métodos basados en el funcional de la densidad (DFT), métodos semiempíricos, métodos post-Hartree-Fock, efectos del solven…
Inhibition of Rac1 signaling by lovastatin protects against anthracycline-induced cardiac toxicity
2011
Normal tissue damage limits the efficacy of anticancer therapy. For anthracyclines, the clinically most relevant adverse effect is cardiotoxicity. The mechanisms involved are poorly understood and putative cardioprotectants are controversially discussed. Here, we show that the lipid-lowering drug lovastatin protects rat H9c2 cardiomyoblasts from doxorubicin in vitro. Protection by lovastatin is related to inhibition of the Ras-homologous GTPase Rac1. It rests on a reduced formation of DNA double-strand breaks, resulting from the inhibition of topoisomerase II by doxorubicin. Doxorubicin transport and reactive oxygen species are not involved. Protection by lovastatin was confirmed in vivo. I…
Tiam1 as a Signaling Mediator of Nerve Growth Factor-Dependent Neurite Outgrowth
2010
Nerve Growth Factor (NGF)-induced neuronal differentiation requires the activation of members of the Rho family of small GTPases. However, the molecular mechanisms through which NGF regulates cytoskeletal changes and neurite outgrowth are not totally understood. In this work, we identify the Rac1-specific guanine exchange factor (GEF) Tiam1 as a novel mediator of NGF/TrkA-dependent neurite elongation. In particular, we report that knockdown of Tiam1 causes a significant reduction in Rac1 activity and neurite outgrowth induced by NGF. Physical interaction between Tiam1 and active Ras (Ras- GTP), but not tyrosine phosphorylation of Tiam1, plays a central role in Rac1 activation by NGF. In add…