Departament de Química: Recent submissions
Now showing items 81-100 of 155
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 ...
Development of new solvent-free microextraction techniques for the analysis of volatile organic compounds: application to the use of breath analysis as a toxicological tool for explosure analysis
Hippocrates predicted many years ago that breath could tell something related with our health. On his treaties, he indicated that when the body starts moving after sleeping, and breathe with more frequency, something hot ...
Hollow fiber liquid-phase microextraction in the determination of pharmaceuticals and personal care products
Extensive amounts of pharmaceuticals and personal care products (organic emerging pollutants) are introduced into the environment mainly through wastewater treatment plants discharges either effluent wastewater reaching ...
Desenvolupament, implementació i aplicació de nova metodologia pel càlcul de la contribució vibracional a les propietats elèctriques: contribucions de relaxació nuclear i curvatura
The vibrational contribution to nonlinear optics (NLO) properties is the mean goal of study of this Thesis. The vibrational contribution can be split in the nuclear relaxation contribution and the curvature contribution. ...
Activació d'O2, HOOH i t-BuOOH amb complexos de Cu i Fe amb lligands N-heterocíclics aromàtics i macrocíclics per l'oxidació de substrats orgànics i inorgànics en condicions suaus
This thesis is organized in seven independent chapters: I) a description of the structure and reactivity of the metalloproteins of copper and iron which deal with the oxygen processing into living organisms; II) an study ...
Síntesis y caracterización de materiales poliméricos para la separación no cromatográfica de metales nobles. Separación y determinación de iridio mediante cromatografía líquida y electroforesis capilar
For the selective separation of Noble Metals, different new chelating polymers with the same functional group, based on tri-isobutylphosphine sulphide, have been synthesised. Different spacers between the polymeric matrix ...
Síntesi de 1-oxaspiro [4.4]nonans polifuncionalitzats i (+-)-andirolactona
Spiro-γ-lactones are widely distributed among natural products, several of them being well known by their interesting biological activities. We describe herein the synthesis of 1-oxaspiro[4.4]nonan derivatives and ...
Aproximacions sintètiques per a la preparació en dissolució i fase sòlida de llibreries de sistemes herocíclics de 5 membres amb elevada diversitat molecular. Síntesi d'imidazolones, triazoles i imidazoxazoles
According to a strategy based on an Aza-Wittig reaction type, an efficient methodology in solution toward the synthesis of libraries of 2-aminoimidazolones with high molecular diversity has been developed. The strategy is ...
Utilització de suports polimèrics en processos de separació de metalls valuosos. Aplicacions hidrometal.lúrgiques i analítiques
The present study focuses on the characterization of solid-liquid extraction techniques for the separation and preconcentration of rare-earth elements and precious metals. We developed an impregnated resin with di ...
Síntesi de nous complexos de Coure i Ruteni amb lligands de tipus tri-N-dentats: estudi de les seves propietats magnètiques i/o electroquímiques
This doctoral dissertation is divided in two different parts. The first one deals with copper complexes and their magnetic properties. The second one describes the synthesis and characterization of a new family of ruthenium ...
