Now showing items 21-40 of 144
Magallón Gubau, Carla (Date of defense: 2022-05-16)
Nowadays, one of the main goals in organic chemistry and fine industry is the development of new synthetic methodologies for the preparation of life-relevant products in a sustainable manner. The use of first-row ...
Dantignana, Valeria (Date of defense: 2020-12-03)
Selective oxidation of C-H bonds is an important reaction, as it can disclose novel synthetic strategies to get functionalized products through efficient paths. Nonetheless, due to the inert character of C-H bonds, the use ...
Prat Casellas, Irene (Date of defense: 2013-06-14)
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 ...
Guerrero Troyano, Isabel (Date of defense: 2022-03-13)
This thesis studies the behavior of different metallacarboranes such as Na[Co(C2B9H11)2] Na[1] and their chlorinated derivatives, Na[3,3’-Co(8-Cl-1,2-C2B9H10)2] Na[Cl2-1] i Na[3,3’-Co(8,9,12-Cl3-1,2-C2B9H8)2] Na[Cl6-1], ...
Cianfanelli, Marco (Date of defense: 2021-12-03)
In this thesis we developed a protocol for the intramolecular oxidation of prochiral secondary C-H bonds in which carboxylic acids, acting as directing groups for the oxidant species, promoted a highly site-selective and ...
Ben Amar, Marwa (Date of defense: 2021-10-22)
Wastewater discharged from industrial and agricultural activities contains relatively large amounts of toxic metal ions, especially including Cd(II), Cu(II), Pb (II), and Cr(VI). The removal of these pollutants is of ...
Verkh, Yaroslav (Date of defense: 2019-01-28)
Individual hazardous chemicals and substance mixtures with synergistic toxicity ef-fects occur in the dissolved organic matter (DOM) of wastewater and negatively im-pact human health. Yet a large number of chemicals and ...
Capdevila Güell, Lorena (Date of defense: 2022-07-22)
The development of new methodologies for the construction of complex molecules is one of the principal objectives in synthetic organic chemistry. Although huge advances have been made on cross-coupling reactions, there is ...
Planas Fàbrega, Oriol (Date of defense: 2018-02-23)
This Ph.D. dissertation describes the synthesis and characterization of bench-top stable aryl-Co(III) organometallic species using commercially available cobalt(II) salts and a macrocyclic model substrate. Special attention ...
Postils Ribó, Verònica (Date of defense: 2018-05-07)
In this thesis, the three constituent areas of chemistry (in agreement with Jensen's quotation in his "Introduction to Computational Chemistry" book), which are construction, transformation, and properties of molecules, ...
Roldán Gómez, Steven (Date of defense: 2020-01-14)
During the last decades, computational chemistry has become a resourceful tool in the quest to understand and predict the mechanism and the reactivity of chemical systems. This is especially true in the area of ...
Butchosa Robles, Cristina (Date of defense: 2012-06-22)
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 ...
Calvó-Tusell, Carla (Date of defense: 2023-06-02)
Enzymes are molecules that play a crucial role in many biological and chemical processes. To understand how they work and how to design enzymes with specific functions, it is important to study their molecular structure ...
Serrano Hervás, Eila (Date of defense: 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 ...
María Solano, Miguel Ángel (Date of defense: 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 ...
Luque Urrutia, Jesús Antonio (Date of defense: 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 ...
Castro Aguilera, Abril Carolina (Date of defense: 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 ...
Artigas Ruf, Albert (Date of defense: 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 ...
Corbera Mas, Marta (Date of defense: 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 ...
Moret Solà, Sònia (Date of defense: 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 ...