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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 ...

Managanese and dicopper complexes for bioinspired oxidation reactions: catalytic and mechanistic studies on C-H and C=C oxidations 

Garcia Bosch, Isaac (Date of defense: 2011-12-20)

Enzymes are high-weight molecules which catalyze most of the metabolic processes in living organisms. Very often, these proteins contain one or more 1st row transition metal ions in their active center ...

Hollow fiber liquid-phase microextraction in the determination of pharmaceuticals and personal care products 

Sagristà i Puig, Ester (Date of defense: 2012-11-23)

Extensive amounts of pharmaceuticals and personal care products (organic emerging pollutants) are introduced into the environment mainly through wastewater treatment plants discharges either effluent ...

Computational study of nuclear magnetic shielding constants 

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 ...

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 ...

Development of structurally and electronally versatile aminopyridine cobalt complexes for photo-(electro) reduction of water and ketones 

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. ...

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 ...

Theoretical study of reactivity and dynamics of hybride-bridged diruthenium complexes and silylium 

Tussupbayev, Samat (Date of defense: 2009-02-26)

Esta tesis presenta un estudio computacional de los sistemas con hidruros puente. En la primera parte se estudia la química de complejos de dirutenio con cuatro hidruros puente. Esto incluye las siguientes ...

Arsenic and its speciation analysis in biological and environmental samples using ICP techniques 

Bhowmick, Subhamoy (Date of defense: 2013-10-31)

Arsenic (As) is one of the common cancers causing contaminant in groundwater of West Bengal, India along with other regions of the world. Scientists believe that As contamination in groundwater of these ...

Selenium cycling in volcanic environments: the role of soils as reactive interfaces 

Floor, Geerke Henriette (Date of defense: 2011-03-29)

Selenium (Se) is an element with important health implications that is emitted in significant amounts from volcanoes. Attracted by the fertility of volcanic soils, around 10% of the world population ...

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Director

Costas Salgueiro, Miquel (19)

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Solà i Puig, Miquel (12)

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Osuna Oliveras, Sílvia (8)

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2020 - 2025 (37)

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Catalysis (25)

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546 - Inorganic chemistry (30)

54 - Chemistry (29)

547 - Organic chemistry (19)

543 - Analytical chemistry (17)

544 - Physical chemistry (10)

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Open access (103)

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