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 ...
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 ...
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 ...
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 ...
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 ...
Vicens Serra, Laia (Date of defense: 2023-07-18)
Most of the organic molecules used in chemical industry (and their synthetic precursors) contain oxygen atoms in their structure. One of the most convenient methods for the preparation of oxygenated ...
Soler i Parpal, Jordi (Date of defense: 2023-09-19)
Enzymes are a type of proteins that help chemical reactions happen faster in living organisms. Scientists have been able to modify these enzymes using a technique called protein engineering, which allowed ...
Estévez-Gay, Miquel (Date of defense: 2023-07-07)
Enzymes are the best catalysts. They are the main catalysts in cells and have been exposed to millions of years of natural evolution by including random mutations in their sequence and posterior selection. ...
Martins, Frederico F. (Date of defense: 2023-10-09)
Density functional theory (DFT) was postulated almost 60 years ago and equipped chemists with a powerful framework to simulate, in silico, the behavior of chemical systems. Despite its widespread utility, ...
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 ...