Now showing items 90-109 of 141

    O2 activation at bioinspired complexes: dinuclear copper systems and mononuclear non-heme iron compounds. Mechanisms and catalytic applications in oxidative transformations 

    Company Casadevall, Anna (Date of defense: 2008-12-16)

    L'activació d'oxigen que té lloc en els éssers vius constitueix una font d'inspiració pel desenvolupament d'alternatives als oxidants tradicionals, considerats altament tòxics i nocius. En aquesta treball s'utilitzen ...

    Occurrence and behaviour of silver nanoparticles in the environment: analytical methodologies and laboratory studies 

    Torrent Fàbrega, Laura (Date of defense: 2019-10-09)

    The production of engineered nanomaterials (ENMs) has grown in last years due to their special physicochemical properties in respect to their bulk counterparts, derived from their small size (1-100 nm). Among the existing ...

    On the use of energy decomposition analyses to unravel the origin of the relative stabilities of isomers 

    El Hamdi Lahfid, Majid (Date of defense: 2013-10-15)

    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 ...

    Oxidation of unactivated C-H bonds catalyzed by manganese complexes: control over site-selectivity and enantioselectivity 

    Milan, Michela (Date of defense: 2018-10-30)

    The oxidation of aliphatic C-H bonds is a very powerful reaction because it allows the functionalization of inert C-H bonds, converting them into a suitable sites for further chemical elaboration. It also represents one ...

    Peptide conjugates containing chlorambucil or tetradentate aminopyridine ligands for anticancer treatment 

    Soler Vives, Marta (Date of defense: 2015-02-02)

    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 ...

    Pèptids biarílics a partir de 4-iodofenilalanina o 3-iodotirosina per borilació i reacció de Suzuki-Miyaura en fase sòlida. Avaluació de l'activitat antimicrobiana 

    Afonso Afonso, Ana (Date of defense: 2011-07-22)

    En aquesta tesi doctoral es va estudiar la preparació de pèptids biarílics en fase sòlida. En primer lloc, es varen borilar residus de fenilalanina o tirosina presents a la seqüència peptídica a través d’una reacció de ...

    Pollution assessment of arsenic in groundwater: geochemistry and analytical aspects 

    Majumder, Santanu (Date of defense: 2013-10-30)

    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 ...

    Preparació de nous catalitzadors basats en complexos de Ru i Pd, i el seu ancorament a polímers conductors per a la fabricació de materials multifuncionals 

    Masllorens i Llinàs, Ester (Date of defense: 2006-03-10)

    Aquesta tesi doctoral es basa en l'estudi de l'aplicació en catàlisi de dos tipus de complexos organometallics basats en dos metalls de tansició diferents. Concretament s'estudien complexos macrocíclics triolefínics de ...

    Rational design of bioinspired iron and manganese catalysts for the effective and selective epoxidation of alkenes and oxidation of alkanes 

    Clarasó Petit, Carlota (Date of defense: 2019-02-08)

    Metalloenzymes are a fundamental source of inspiration for synthetic chemists. Oxidation metalloenzymes catalyze oxidation reactions with high efficiency under very mild experimental conditions exhibiting exquisite regio- ...

    Reaccions de cicloaddició [2+2+2] catalitzades per Rh(I) 

    Garcia López, Lídia (Date of defense: 2012-02-24)

    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 ...

    Reaction mechanisms involved in cross coupling processes catalysed by copper and nickel 

    Rovira Coll, Mireia (Date of defense: 2017-03-10)

    Organometallic aryl-CuIII species have been proposed as key intermediates in Ullmann-type reactions. However, such species have long remained elusive and mechanistic investigations of a plausible catalytic cycle remained ...

    Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion 

    Martínez López, Juan Pablo (Date of defense: 2016-11-18)

    The physical and chemical properties of fullerenes and nanotubes can be conveniently tuned by the attachment of different functional groups to them. Therefore, the systematic understanding of different problems such as ...

    Reactivity of well-defined organometallic copper(III) complexes in carbon-heteroatom bond forming reactions 

    Casitas Montero, Alícia (Date of defense: 2012-06-01)

    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 ...

    Reduced density matrices: development and chemical applications 

    Rodríguez Mayorga, Mauricio (Date of defense: 2018-07-24)

    In this thesis, we focused on the alternative methodologies that are based on the reconstruction of density matrices. While in DFT several benchmarks can be found in the literature, for the rest of alternative methodologies ...

    Removal of pharmaceuticals in wastewater combining different treatment technologies: suspect screening identification and risk assessment of transformation products 

    Jaén Gil, Adrián (Date of defense: 2021-05-28)

    The low efficiency of wastewater treatment plants to achieve the complete removal of micropollutants, including pharmaceuticals, has motivated the development of alternative water technologies to improve their efficiency, ...

    Rhodium(I) catalyzed [2+2+2] cycloaddition reactions: experimental and theoretical studies 

    Dachs Soler, Anna (Date of defense: 2011-07-29)

    The [2+2+2] cycloaddition reaction involves the formation of three carbon-carbon bonds in one single step using alkynes, alkenes, nitriles, carbonyls and other unsaturated reagents as reactants. This is one of the most ...

    Rhodium-catalysed [2+2+2] cycloaddition reactions for the preparation of highly functionalised cyclic compounds 

    Cassú Ponsatí, Daniel (Date of defense: 2018-04-20)

    Transition metal-catalysed [2+2+2] cycloaddition reactions involving unsaturated substrates represent one of the most elegant methods in organic chemistry to prepare functionalised cyclic compound. This doctoral thesis is ...

    Rhodium-catalyzed cyclization reactions of 1,5-bisallenes involving alkenes and alkynes: experimental and theoretical studies 

    Vila Vadrí, Jordi (Date of defense: 2023-04-21)

    The development of novel catalytic methodologies involving the formation of carbon – carbon/heteroatom bonds to produce cyclic systems constitutes a field of great interest in the modern synthetic organic chemistry. Over ...

    Selenium cycling in volcanic environments: the role of soils as reactive interfaces 

    Floor, Geerke Henriette (Date of defense: 2011-03-29)

    Selenium (Se) is an element with important health implications that is emitted in significant amounts from volcanoes. Attracted by the fertility of volcanic soils, around 10% of the world population lives within 100 km of ...

    Single and multiple addition to C60. A computational chemistry study 

    Cases Amat, Montserrat (Date of defense: 2003-09-30)

    Des del seu descobriment, a la molècula C60 se li coneixen una varietat de derivats segons el tipus de funcionalització amb propietats fisicoquímiques específiques de gran interès científic. Una sel·lecció de derivats ...