Catalan Open Research Area. Tesis Doctorals en Xarxa
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Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis 

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 ...

Small-molecule mimics of rieske oxygenases. Application to selective aliphatic C-H hydroxylation and olefin syn-dihydroxylation 

Borrell Recasens, Margarida (Date of defense: 2021-11-05)

Oxidations are an important kind of reactions which are traditionally performed using stoichiometric oxidants that generate a large amount of waste. Syn-dihydroxylation of alkenes is a paradigmatic ...

Computational strategies for understanding the molecular basis of biochemical and biocatalytic processes 

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 ...

Carboxylic acids as directing groups for intramolecular catalytic oxidation of unactivated C(sp3)-H bonds with bioinspired catalysts 

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 ...

Development and application of new methodologies for chemical bonding analysis 

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 ...

Carborane compounds as efficient light-driven in oxidation catalysis 

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] ...

Computational studies oriented towards the development of a greener chemistry 

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 ...

Applications of supramolecular nanocapsules: regioselective functionalization of fullerenes and molecular recognition of endohedral metallofullerenes 

Pujals Crusat, Míriam (Date of defense: 2024-06-14)

Since the discovery of fullerenes and endohedral metallofullerenes (EMFs), these spheroidal carbon cages have attracted the attention of the scientific community due to their exceptional electronic and ...

Multiscalar strategies for the characterization of engineered P450 enzymes 

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 ...

Synthesis and applications of large supramolecular nanocapsules: matryoshka-type masks, higher fullerene C84 purification and stabilization of metallic clusters and sub-nanoparticles 

Ubasart Clarà, Ernest (Date of defense: 2022-10-28)

The development of supramolecular assemblies with big cavities is important to recognize specific guests or infer a chemo- or regioselective chemistry, in analogy to natural enzymes. The objective of ...

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Osuna Oliveras, Sílvia (7)

Costas Salgueiro, Miquel (6)

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Catalysis (11)

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546 - Inorganic chemistry (14)

544 - Physical chemistry (9)

547 - Organic chemistry (6)

543 - Analytical chemistry (5)

628 - Public health engineering. Water. Sanitation. Illuminating engineering (4)

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