Departament de Química: Recent submissions
Now showing items 81-100 of 146
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 ...
New manganese complexes with nitrogen donor ligands. Catalysts for oxidation reactions
The catalytic asymmetric oxidation of alkenes has special interest from both industrial and academic points of view. For this reason, catalysts able to perform these reactions in a faster and more effective manner have ...
Analytical strategies based on inductively coupled plasma sprectroscopy (ICP) and diffusive gradients in thin fims (DGT) techniques for the assessment of environmental pollution indicators
In this thesis, simple methods to determine sulfide at low levels (µg L-1) in aqueous samples and sediments by water free hydrogen sulfide vapor generation using a commercially available vapor generation accessory have ...
Computational modeling of charge transfer in nucleobase-aromatic amino acid complexes
The present thesis models nucleobase-amino acid charge transfer reactions, which can serve as base for future computational investigations of charge transfer processes in DNA-protein systems. Guanine and adenine charge ...
Reactivity of well-defined organometallic copper(III) complexes in carbon-heteroatom bond forming reactions
This thesis is focused on the unexplored field of organometallic copper(III) chemistry. Arylcopper(III) complexes have been proposed as key intermediates in Ullmann condensation reactions that consist in the coupling of ...
Metalls de transició en la formació d'enllaços carboni-carboni: cicloaddicions [2+2+2] catalitzades per Rh(I) i acoblaments creuats catalitzats per Pd(0) i Ni(0)
Carbon-carbon bond formation reactions catalyzed by transition metals represent one of the most versatile and efficient strategies in organic synthesis. The catalytic transformations contribute to the development of ...
Synthesis of unusual alpha-amino acids and study of the effect of their incorporation into antimicrobial peptides. Total synthesis of biactive marine natural products and analogues thereof
The principle theme of this thesis was the synthesis of bioactive compounds. To this end, this work was focus on two main projects. The first one, which was carried out in the Department of Chemistry of the University of ...
Managanese and dicopper complexes for bioinspired oxidation reactions: catalytic and mechanistic studies on C-H and C=C oxidations
Enzymes are high-weight molecules which catalyze most of the metabolic processes in living organisms. Very often, these proteins contain one or more 1st row transition metal ions in their active center (Fe, Cu, Co, Mn, Zn, ...
Reaccions de cicloaddició [2+2+2] catalitzades per Rh(I)
The development of new chemical processes and efficient catalysts for the formation of carbon-carbon bonds is an important topic in organic chemistry. In particular, the [2+2+2] cycloaddition reaction involving different ...
Synthesis of antimicrobial peptides derived from BP100 and BPC194
In the present PhD thesis we studied the solid-phase peptide synthesis of antimicrobial peptides derived from the lead peptides BP100 and BPC194. First, peptides derived from BP100 containing D-amino acids at different ...
