Departament de Química Inorgànica i Orgànica: Recent submissions
Now showing items 61-80 of 88
Compostos de coordinació magnètics i/o luminescents derivats d'elements 3d o 4f: Cercant sistemes multipropietat
Amb l’objectiu d’obtenir materials moleculars amb una o més propietats físiques tals com magnètiques, luminescents i/o quirals en aquest treball s’han obtingut nous compostos de coordinació basats en metalls de transició, ...
Unveiling Protein-Substrate Interactions and Conformations that Influence Catalysis in Carbohydrate-Active Enzymes
Enzymes have attracted the attention of chemists and biologists since long ago due to their molecular complexity and tremendous efficiency. They are highly specific catalysts that make chemical reactions possible at mild ...
Study of Cu-ZnO-Ga2O3- and MoxC-based Catalysts for the Reverse Water Gas Shift Reaction
Nowadays, serious concern exists about atmospheric CO2 increase related with environmental impact and climate change. The reuse of CO2 through its chemical recycling is a promising route, which could contribute to the ...
Coordination, organometallic and supramolecular chemistry approaches to the design of metal-based cytotoxic agents
The discovery of cisplatin and its successful use as chemotherapeutic agent have encouraged the development of metal-based anticancer molecules. The present doctoral research project includes three different chemistry ...
Multisensitive polyurethane/polyurea nanocapsules for smart drug delivery
The Thesis is based on the development of a potentially-scalable methodology to prepare polyurethane/polyurea polymers to nanoencapsulate bioactive molecules. In the first part of the project, the design, optimization and ...
A novel regulatory unit in the N-terminal region of c-Src
c-Src is a central player in several cellular signaling pathways. It controls impor- tant cellular processes like cellular proliferation, survival or motility. Therefore, a number of tumoral diseases have been related to ...
Nova síntesi d'interès industrial d'un fàrmac genèric
L'objectiu principal d'aquesta Tesi doctoral ha estat l’obtenció d’una via alternativa a les existents per a l'obtenció d'un intermedi clau, 1, en la síntesi d'un fàrmac anticoagulant. La nova via havia de ser novedosa i ...
Conformational and mechanistic analyses of α- and β-glycosidase substrates by ab initio QM/MM methods
Carbohydrates are one of the most important biochemical molecules due to their role as energetic resource for non-photosynthetic organisms, cell-cell recognition and adhesion, protection of cell membranes of bacteria and ...
Carbazole-Based Materials for Organic Thin-Film Transistors and Organic Light-Emitting Diodes
This thesis deals with the preparation and characterization of novel organic semiconductors based on the carbazole heterocycle for electronic and optoelectronic applications, specifically to be studied as active layers in ...
Ligandos Supramoleculares en Complejos Metálicos con Propiedades Físicas Relevantes
En la primera parte de esta tesis, se basó en la síntesis de ligandos basados en la heptazina y los complejos formados con CuII. Utilizando 2-dipiridilamina para funcionalizar el núcleo de heptazina, (ligando que presenta ...
Palladium Catalyzed C–H activation of arylethyl amines and their derivatives: application to the construction of heterocyclic compounds
The development of selective methods for the direct conversion of carbon−hydrogen bonds into carbon-heteroatom and carbon−carbon bonds remains a critical challenge in organic chemistry. An interesting approach to address ...
Estructuras supramoleculares de oro(I) con propiedades luminiscentes. Estudios de agregación y aplicaciones
Hace unos años, en el grupo de investigación donde se ha realizado esta Tesis Doctoral, se estudió un sistema de oro(I)-alquinilo con una fosfina soluble en agua, que dio lugar a la formación de un hidrogel. Este ejemplo ...
Diseño de ligandos β-dicetona y sus agregados metálicos funcionales: estudio cristalográfico y magnético
Desde hace años la ciencia del magnetismo ha centrado uno de sus objetivos más ambiciosos en el estudio y creación de dispositivos funcionales a escala molecular. Un ejemplo es el intento de implementación de la computación ...
Diarylethene-based Pt(II) molecular switches: a novel approch to photoactivated chemotherapy
The photoactivation of metal complexes with potential anticancer activity is a hot topic of current research, as it may lead to the development of more selective and efficient drugs. Photoactivated chemotherapy (PACT) with ...
Aminocyclitol and iminosugar derivatives related to Gauche disease
Gaucher disease (GD) is one of the most prevalent lysosomal storage diseases.A mutation on gene gba1 generates a misfolded enzyme acid β-glucosidase. Due to this, this enzyme is not properly transported from the endoplasmic ...
Estudio teórico de enlaces no clásicos
En esta tesis se abordan diferentes problemas químicos relacionados con situaciones inusuales de enlace en moléculas. Para algunos de estos problemas se ha aplicado el análisis de pseudosimetría de los orbitales moleculares, ...
Polynuclear manganese compounds with carboxylate bridging ligands models of redox enzymes: insertion inside mesoporous supports: study of their magnetic and catalytic properties
The main objective of this work is the synthesis of manganese compounds and hybrid materials that may be relevant from a bioinorganic and magnetic point of view. The developed strategy comprises three main steps that form ...
Spin crossover supramolecular coordination compounds: design, synthesis and properties
The results obtained in this thesis demonstrate the importance of supramolecular chemistry for the design of potential new SCO clusters. Starting from synthesizing the suitable ligands with suitable functional groups, novel ...
Materiales piezoeléctricos derivados del (Bi0,5Na0,5)TiO3-BaTiO3 : preparación y estudio de las propiedades funcionales
Los materiales piezoeléctricos basados en el titanato zirconato de plomo (PZT) son ampliamente utilizados en una gran cantidad de dispositivos electrónicos debido a sus excelentes propiedades eléctricas. Esta mejora de las ...
Ni-based catalysts for H2 production from ethanol steam reforming: Effect of the support and use of CO2 as regenerating agent and reactant
In this work, the effect of CO2 on the hydrogen production under substoichiometric ethanol steam reforming (ESR) conditions over nickel based catalysts was studied. A special emphasis was focused on the application of ...
