3d and/or 4f coordination compounds derived from chiral Schiff bases: magnetic and spectroscopic study 

    Mayans Ayats, Júlia (Date of defense: 2018-12-14)

    This PhD thesis has been developed in the Molecular Magnetism Group of the University of Barcelona. As its name indicates, the Molecular Magnetism Group is mostly interested in the magnetic study of coordination complexes, ...

    Actividad de la proteina intrínsecamente desordenada p15(PAF) en el replisoma o cómo el desorden orquesta la replicación celular 

    Barrera Vilarmau, Susana (Date of defense: 2022-03-15)

    La abrazadera deslizante eucariota (PCNA), juega un papel esencial como componente del replisoma. PCNA, de forma toroidal, rodea el DNA y ata las polimerasas y otros factores a la plantilla genómica para una síntesis ...

    Advanced Modelling of Metallic Nanomaterials for Catalysis 

    Vega Domínguez, Lorena (Date of defense: 2021-12-21)

    Nanoparticles are highly relevant for catalysis due to their nanostructure, which increases the fraction of surface atoms, and the size dependent morphology and properties. Catalytic properties of nanoalloys also depend ...

    An STM/FM-AFM investigation of selected organic and inorganic 2D systems on metallic surfaces 

    Matencio Lloberas, Sonia (Date of defense: 2015-10-29)

    Organic/inorganic interfaces play a key role in organic electronic devices such as organic light emitting diodes (OLED), organic field effect transistors (OFET) and organic solar cells (OSC). In these interfaces crucial ...

    Análisis cualitativo y cuantitativo de fármacos en peces por espectrometría de masas de alta resolución de cuadrupolo-tiempo de vuelo 

    Peña Herrera, Juan Manuel (Date of defense: 2020-05-04)

    En la presente tesis doctoral se desarrollaron métodos analíticos para la determinación de fármacos de uso humanos en el tejido muscular de los peces, incluyendo la comparación y optimización de diferentes tipos de ...

    Application of chemometrics to hyperspectral imaging analysis of environmental and agricultural samples 

    Zhang, Xin (Date of defense: 2015-07-07)

    This Thesis deals with the resolution of hyperspectral imaging data by using chemometric methods, in particular by using appropriate data pretreatment methods and by using Multivariate Curve Resolution (MCR) methods. The ...

    Chemical and ecotoxicological assessment of microplastics and emerging risks in the coastal environments 

    Schirinzi, Gabriella Francesca (Date of defense: 2020-06-10)

    In recent decades, global plastics production and consumption have continued to increase. Although many policy strategies on waste prevention and recycling have been implemented, much of the plastic waste is dispersed in ...

    Cold Spray Deposition of WC-Co Cermets 

    Pereira de Magalhaes e Couto, Miguel (Date of defense: 2014-11-10)

    The main subject of this Thesis is the production of hard, wear and corrosion resistant cermets tungsten carbide and cobalt cermets (WC-Co) with different contents in cobalt matrix, onto low carbon steels and aluminum alloy ...

    Computational Analyses of CO2 Electroreduction and C Interactions with Transition Metals 

    Piqué Caufapé, Oriol (Date of defense: 2022-05-03)

    Catalysis is ubiquitous in chemical industries since it accelerates chemical reactions, thereby saving considerable amounts of energy. Most catalytic processes in industry are heterogeneous in nature, typically involving ...

    Computational modeling of transition metals carbides with relevant to nanotechnology and catalysis 

    Piñero Vargas, Juan José (Date of defense: 2021-12-15)

    The work carried out in this thesis is based on the study of transition metal carbides (TMCs) as catalysts study from a theoretical point of view, using the techniques of Computational Chemistry. TMC materials have been ...

    Computational modelling to study medium effect over molecules and biopolymers of interest in biomedicine 

    Barazorda Ccahuana, Haruna Luz (Date of defense: 2023-11-17)

    [eng] Computational simulation technologies facilitate the resolution of complex biomedical problems by helping researchers predict what will happen in a natural system in response to various external conditions. The main ...

    Conformational catalytic itineraries of five- and six-membered sugar rings in enzymatic and superacid media 

    Nin Hill, Alba (Date of defense: 2020-10-26)

    Carbohydrates were early considered important for energy storage and structural support for living organisms. It was not until a few decades ago that scientist discovered that they are also involved in much more complex ...

    Conjugated organic radicals and polyradicals: electronic structure and photophysics 

    Sandoval-Salinas, María Eugenia (Date of defense: 2021-02-15)

    The principal aim of this thesis is the understanding of the electronic structure of organic diradical and polyradical molecules. Unveiling the properties that give them the electronic, magnetic, and optical properties to ...

    Cosymlib: a Python library for continuous symmetry measures and its application to problems in structural chemistry 

    Bernuz Fito, Efrem (Date of defense: 2021-07-19)

    For many years symmetry has been a useful concept in the study of the spatial organization of atoms in molecules or solids. The presence of symmetry elements in a given molecular structure gives a valuable information about ...

    Crystal Engineering Studies of Squaric Acid Derivatives 

    Portell Bueso, Anna (Date of defense: 2014-11-17)

    This thesis is a multidisciplinary study of the solid state of squaric acid derivatives which combines approaches from areas such as crystal engineering, supramolecular chemistry and crystallography. The structural preferences ...

    Deposition of environmentally friendly cermets coatings by thermal spray techniques 

    Bazyaran, Fatemeh (Maryam) (Date of defense: 2019-04-01)

    The main objective of this research work was to produce environmentally friendly cermets coatings, Ni and Co free matrix, alternative to conventional WC- Co, by thermal spray processes. WC-Co cermets has always been one ...

    Desarrollo y caracterización del efecto doble memoria de forma obtenido mediante martensita estabilizada en aleaciones base cobre y de la fenomenología de envejecimiento 

    Fernández González, Javier (Date of defense: 1993-01-01)

    Se han obtenido distintas aleaciones policristalinas de base cobre así como monocristalinas de ZuCnAlCo, las cuales han sido caracterizadas quimícamente, estructural y calorimétricamente. Se ha utilizado un nuevo método ...

    Desenvolupament i aplicació de metodologies analítiques i quimiomètriques per a l’estudi de la contaminació atmosfèrica 

    Alier Pedemonte, Marta (Date of defense: 2014-04-11)

    En aquesta Tesi s’han estudiat les fonts d’emissió de diversos contaminants atmosfèrics, principalment a l’àrea de Barcelona. Els contaminants estudiats han estat l’òxid de nitrogen (NO), compost tòxic que s’emet en grans ...

    Design of multifunctional polymeric nanoparticles for biomedical applications 

    Leitner, Stefanie (Date of defense: 2013-12-20)

    The general objective of this research was the design of polymeric cationic nanoparticles from nano-emulsions obtained by low-energy methods for biomedical applications. This general objective includes the preparation of ...

    Designing Advanced Nanocatalysts: Synthesis of complex CeO2-based Nanostructures 

    Hervés Carrete, Carmen (Date of defense: 2023-05-24)

    [eng] The main objective of this dissertation has been to stablish a bridge between materials science and its fields of application. The scope of this thesis work, under this premise, is aimed towards understanding the ...