Ara mostrant els elements 33-52 de 141

    Computational studies of epoxide hydrolase-catalyzed ring-opening reactions 

    Serrano Hervás, Eila (Data de defensa: 2022-07-20)

    Chiral 1,2-amino alcohols are motifs widely present in different high valuable biologically active compounds. Many synthetic and enzymatic routes have been developed for producing optically active amino alcohols starting ...

    Computational studies of the conformational landscape of allosteric and enantioselective enzymes 

    María Solano, Miguel Ángel (Data de defensa: 2021-02-12)

    Enzymes are sophisticated biomacromolecules whose function is linked to its three-dimensional structure and conformational dynamics. Therefore, the understanding of enzyme conformational dynamics can be exploited to ...

    Computational studies oriented towards the development of a greener chemistry 

    Luque Urrutia, Jesús Antonio (Data de defensa: 2021-03-26)

    Given the existing problem of Climate Change, we must work towards more environmentally friendly chemical processes that would help us solve it. The thesis focuses on the study of different chemical reactions involved in ...

    Computational study of nuclear magnetic shielding constants 

    Castro Aguilera, Abril Carolina (Data de defensa: 2017-11-17)

    Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable structural tool in the modern analytical arsenal of chemists and structural biologists. The present thesis is a computational study of the NMR shift constants ...

    Cyclization reactions for the functionalization of fullerenes: experimental and theoretical studies 

    Artigas Ruf, Albert (Data de defensa: 2020-01-31)

    Fullerenes are a group of spherical molecules with outstanding 2/1 physicochemical properties that make them important materials in a variety of fields, ranging from biomedicine to photovoltaics. However, in order ...

    Desenvolupament de metodologia analítica per a la determinació de glifosat i adjuvants 

    Corbera Mas, Marta (Data de defensa: 2008-02-15)

    El glifosat és un herbicida no selectiu àmpliament utilitzat en cultius agrícoles i zones no agrícoles que requereixen un control de la vegetació. Tot i la baixa toxicitat del glifosat en si mateix, la seva aplicació es ...

    Desenvolupament de metodologia analítica per al seguiment d'herbicides fenoxiacètics i cafeïna en el medi ambient 

    Moret Solà, Sònia (Data de defensa: 2006-12-15)

    El control d'herbicides i altres anàlits orgànics presents en el medi ambient constitueix una pràctica habitual en els laboratoris des de l'establiment de legislacions que limiten la seva concentració. Per aquesta raó, cal ...

    Desenvolupament de mètodes de determinació de compostos fenòlics en aigües i sòls. Caracterització dels processos d'adsorció en diferents tipus de sòls. 

    Sirvent Masias, Gemma (Data de defensa: 2005-04-22)

    El desenvolupament de mètodes d'anàlisi de compostos fenòlics és una pràctica habitual en molts laboratoris des de l'establiment de mesures legislatives de control de les concentracions d'aquestes substàncies en el medi ...

    Desenvolupament de mètodes de preconcentració emprant membranes líquides suportades i extracció en fase sòlida per a la determinació de l'herbicida glifosat i el seu metabòlit AMPA en aigües naturals 

    Rios Losada, Carolina (Data de defensa: 2004-04-16)

    El glifosat, N-(fosfonometil) glicina, és un dels herbicides més utilitzats arreu del món a causa de la seva baixa toxicitat i al seu ampli espectre d'aplicació. A conseqüència del gran ús que se'n fa, és necessari ...

    Desenvolupament, implementació i aplicació de nova metodologia pel càlcul de la contribució vibracional a les propietats elèctriques: contribucions de relaxació nuclear i curvatura 

    Luis Luis, Josep Maria (Data de defensa: 1999-06-28)

    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. ...

    Design and synthesis of short antimicrobial peptides for plant protection. Study of their mode of action 

    Ferre Malagon, Rafael (Data de defensa: 2010-07-23)

    Aquesta tesi doctoral està basada en el desenvolupament de nous agents antimicrobians derivats del pèptid híbrid cecropina A-melitina WKLFKKILKVL-NH2 (Pep3) que siguin sostenibles i útils per al control de malalties de ...

    Design, preparation and characterization of polymer inclusion membranes as an emerging technique for preconcentration and speciation measurements 

    Vera Chamorro, Ruben (Data de defensa: 2019-03-15)

    Water is essential for humankind not only for its direct consumption but also for its multiple applications in industry or agriculture, among others. The presence of undesirable substances or pollutants directly affects ...

    Detecció de compostos volàtils, clorofenols, cloroanisoles i 2,4,6-tribromoanisole, relacionats amb el "gust del suro" 

    Insa Aguilar, Sara (Data de defensa: 2006-05-22)

    D'entre els defectes organolèptics associats al vi, en destaca l'anomenat "gust de suro" habitualment vinculat a la presència de cloroanisoles, els quals són productes de l'activitat microbiana formats a partir dels ...

    Development and application of new methodologies for chemical bonding analysis 

    Gimferrer Andrés, Martí (Data de defensa: 2023-03-27)

    In the last decades, electronic structure methods have been crucial for chemists to achieve deeper insight into chemistry itself and to make predictions before performing the actual experiments. The development of computational ...

    Development of analytical methodologies for the assessment of odorous and fragrance compounds in wastewater treatment plants 

    Godayol Boix, Anna (Data de defensa: 2014-03-27)

    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 ...

    Development of analytical methodologies for the determination of emerging contaminants and phosphorus compounds 

    Valls Cantenys, Carme (Data de defensa: 2014-11-21)

    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. ...

    Development of chemical separation processes for the treatment and monitoring of metallic cations and oxoanions in polluted waters 

    Güell Martí, Raquel (Data de defensa: 2011-10-07)

    The chemical contamination of natural waters is a global problem with a worldwide impact. Considering the relevance of this problem, this thesis is intended, on one hand, to develop different separation/preconcentration ...

    Development of flexible cavitand receptors based on calix[5]arene. Rational design, synthesis and study of their properties 

    Álvarez Yebra, Rubén (Data de defensa: 2023-11-07)

    Cavitands are macromolecules with a permanent cavity where smaller molecules or ions can be accommodated. The hydrophobic cavity of these supramolecules allows the binding of other molecules though non-covalent interactions, ...

    Development of new reusable materials based on Ru complexes with catalytic activity for olefin epoxidation and nitrile hydration 

    Ferrer Vall-llosada, Íngrid (Data de defensa: 2015-07-16)

    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 ...

    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 

    Alonso Roura, Mònica (Data de defensa: 2012-12-14)

    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 ...