Departament de Química: Envíos recientes
Mostrando ítems 61-80 de 144
Bioinspired copper and nonheme iron models for oxygen activation: unprecedented reactivities
The oxidation of hydrocarbons is one of the most important processes in the chemical industry, and it is often related to highly toxic reagents that generate a big amount of undesired residues. In sharp contrast, oxygenase ...
Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts
One of the major current scientific goals is the development of renewable energy sources. An effective alternative to fossil fuels consists in the conversion of the sunlight energy into chemical fuels. The molecular hydrogen ...
Solid-phase synthesis of cell-penetrating γ-peptide/antimicrobial peptide conjugates and of cyclic lipodepsipeptides derived from fengycins
This thesis is focused on the development of synthetic approaches to obtain new bioactive peptides. The first part deals with the design of new antimicrobial peptide/cell-penetrating peptide conjugates as anticancer agents. ...
Solid-phase synthesis of 5-arylhistidine-containing peptides: from linear antimicrobial peptides to cyclic peptides derived from arylomycins and aciculitins
The incorporation of unsymmetrical biaryl systems into peptide sequences is a strategy that can improve their biological activity. Due to the difficulty of arylating the 4(5}-position of the imidazole ring, this doctoral ...
Study of the ability of carboranylcarboxylate ligands to generate polynuclear compounds. Potential applications
In this thesis is presented the synthesis and characterization of two different carboranylcarboxylate ligands, 1-CH3-2-CO2H-1,2-closo-C2B10H10 and 1-CO2H-1,2-closo-C2B10H11, in which the methyl group bonded to the carbon ...
[2+2+2] cycloaddition reactions involving allenes catalysed by rhodium
The development of new chemical processes for the formation of carbon-carbon bonds is an important topic in organic chemistry. In particular, the transition metal catalysed [2+2+2] cycloaddition reaction is a highly efficient ...
Development of new reusable materials based on Ru complexes with catalytic activity for olefin epoxidation and nitrile hydration
In this thesis we present the synthesis and characterization of different types of ruthenium complexes containing N-donor ligands together with dmso, Cl and H2O ligands, along with their complete characterization through ...
Structure and reactivity of endohedral (metallo)fullerenes
It all started in 1985, when Kroto, Smalley and Curl discovered by serendipity a new carbon allotrope. They synthesized for the first time the C60 molecule, and named it as ”Buckminsterfullerene”, because of the similarity ...
Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds
This thesis presents different studies on hydrogen bonds that occur between two molecules. It is because of the biological importance of DNA that the base pairs, and other compounds with similar hydrogen bonds as these ...
Model aryl halide macrocyclic substrates for the elucidation of coinage metal catalysed cross-coupling reaction mechanism
Aryl-Cu(III) species have been often implicated as the intermediate species that operate Ullmann-type couplings. However, such species have long remained elusive and the fundamental pathways that govern Ullmann-type ...
Peptide conjugates containing chlorambucil or tetradentate aminopyridine ligands for anticancer treatment
Nowadays, the search for new drugs against cancer is one of the major goals to improve the quality of life of patients. The development of more selective treatments against cancer cells may lead to a significant reduction ...
Development of analytical methodologies for the determination of emerging contaminants and phosphorus compounds
The presence of anthropogenic chemical substances in water resources can affect the ecological balance of aquatic systems, as well as human health, and therefore it is necessary to control their presence in water bodies. ...
Modelling of potential energy surfaces for photochemistry: conical intersections and application to optical control
Conical Intersections (CI) are points in Potential Energy Surfaces (PES) of two or more states that have the same energy. They are fundamental to understand photo-chemical processes. These points are not isolated points, ...
Disseny i síntesi de lipopèptids cíclics i de pèptids conjugats derivats de BPC194 amb activitat antimicrobiana
Les malalties causades per bacteris i fongs són responsables d’importants pèrdues econòmiques en cultius. Es considera que els pèptids antimicrobians, naturals i sintètics, són uns bons candidats per a ser utilitzats com ...
Transition metal-catalysed [2+2+2] cycloaddition reactions. Methodology and mechanism
The transition-metal catalysed [2+2+2] cycloaddition reaction is a highly efficient synthetic tool that allows six-membered polysubstituted carbo- and heterocyclic derivatives to be obtained in an atom economy process. ...
Development of analytical methodologies for the assessment of odorous and fragrance compounds in wastewater treatment plants
Different analytical methodologies have been developed for the determination of odorous compounds and synthetic fragrances in water and air WWTP samples from Girona and Tarragona provinces. With regards to the odorous ...
Pollution assessment of arsenic in groundwater: geochemistry and analytical aspects
Apart from the geological controls that can cause As mobilization in groundwater in the Bengal Delta Plain, local anthropogenic factors may also contribute to some extent. Investigations showed that As(III) get enriched ...
Arsenic and its speciation analysis in biological and environmental samples using ICP techniques
Arsenic (As) is one of the common cancers causing contaminant in groundwater of West Bengal, India along with other regions of the world. Scientists believe that As contamination in groundwater of these region are because ...
On the use of energy decomposition analyses to unravel the origin of the relative stabilities of isomers
Structural isomers are molecules that have the same number and type of atoms but arranged in different manner. The isomerization energy is the energy difference between two isomers, i.e. the energy cost corresponding to ...
Bioinspired non-heme iron catalysts for challenging oxidative transformations: mechanistic studies and catalytic applications on selective alkane hydroxylation and alkene cis-dihydroxilation
The functionalization of hydrocarbons in a sustainable manner is one of the main challenges for chemists. Their abundance in nature as natural gas or crude oil makes them the most convenient chemical feedstock. The oxidation ...
