Now showing items 1-20 of 35
Guillaumes Domènech, Laia (Date of defense: 2015-06-15)
This thesis presents different studies on hydrogen bonds that occur between two molecules. It is because of the biological importance of DNA that the base pairs, and other compounds with similar hydrogen bonds as these ...
Vidal Sánchez, Diego (Date of defense: 2019-07-24)
The oxidation of hydrocarbons under soft and selective conditions is a reaction almost exclusively produced under these conditions by enzymes. A lot of these enzymes, posses iron in their metal center, responsible for the ...
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 ...
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 ...
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 ...
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 ...
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 ...
Gimferrer Andrés, Martí (Date of defense: 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 ...
Álvarez Yebra, Rubén (Date of defense: 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, ...
Call Quintana, Arnau (Date of defense: 2016-12-13)
The increasing need for more efficient synthetic methods and sustainable processes for fuel and high-value organic molecules production can be seen as one of the major challenging goals for the future. Nature has developed ...
El Bakouri El Farri, Ouissam (Date of defense: 2017-11-22)
Aromaticity is a key concept in chemistry, used by chemists to explain the structure, stability, and reactivity of many compounds. Aromatic compounds are present in industrial processes as well as in living systems. ...
Curado Carballada, Christian (Date of defense: 2023-03-13)
Enzymes have evolved through years until becoming great catalysts that present high selectivity, specificity, and activity. Initially, enzymes were understood as static (bio)molecular structures capable of accelerating ...
D'Amore, Lorenzo (Date of defense: 2021-12-10)
The oxidative activation of C(sp3)–H bonds under ambient conditions represents a challenge to modern chemistry, nevertheless it is commonly operated in Nature by various oxygenases in key metabolic transformation and ...
Rodríguez Serrat, Mònica (Date of defense: 2019-09-27)
In the last decades, carbenes have shown a huge potential and versatility in organometallic and organic chemistry. In each of these fields, first row transition metal chemistry is less developed than noble metal complexes. ...
Font Rubio, Pau (Date of defense: 2023-10-06)
Homogeneous reactions catalyzed by gold have mainly been developed in the past two decades, stemming from the proneness of Au(I) and Au(III) complexes to coordinate and activate carbon-carbon multiple bonds towards a ...