Universitat de Girona
Now showing items 1-20 of 36
In order to evaluate the increasing environmental and human risk of anticancer drugs in the environment, more information needs to be gathered about their presence, their toxicity, bioaccumulation and persistence. In ...
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 ...
La investigació que es presenta en aquesta tesi es centra en l'aplicació i millora de metodologies analítiques existents i el desenvolupament de nous procediments que poden ser utilitzats per a l'estudi dels efectes ...
ENG- This thesis investigates the development and application of bioinspired iron and manganese complexes as catalysts for the dearomative oxidation of non-activated arenes, focusing on epoxidation and syn-dihydroxylation ...
The oxidation of hydrocarbons is one of the most important processes in the chemical industry, and it is often related to highly toxic reagents that generate a big amount of undesired residues. In sharp contrast, oxygenase ...
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 ...
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 ...
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, ...
ENG- The rapid evolution of photovoltaic technologies demands the precise design of materials with tailored properties to overcome performance bottlenecks and achieve high efficiency. This thesis presents a computational ...
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 ...
El glifosat, N-(fosfonometil) glicina, és un dels herbicides més utilitzats arreu del món a causa de la seva baixa toxicitat i al seu ampli espectre d'aplicació. A conseqüència del gran ús que se'n fa, és necessari ...
ENG- Enzymes are natural catalysts that speed up biochemical reactions efficiently, but their use in industry is often limited because they are usually specific to certain substances and reactions. Changing enzymes to work ...
High pressure processing is a food preservation technique which can be an alternative to heat treatment. Pressurization, in theory, produces changes in organoleptic properties and antioxidant compounds to a lesser extent. ...
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. ...
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 ...
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. ...
Most of the different homogeneous reactions catalyzed by gold have been developed in the past fifteen years and stem from the ability of both Au(I) and Au(III) complexes to coordinate and activate multiple carbon-carbon ...
ENG- The investigation presented in this thesis is focused on the design of new analytical methodologies to allow Hg preconcentration using ionic liquids (IL) incorporated in functionalized membranes or impregnated onto ...
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 (Fe, Cu, Co, Mn, Zn, ...
Conical Intersections (CI) are points in Potential Energy Surfaces (PES) of two or more states that have the same energy. They are fundamental to understand photo-chemical processes. These points are not isolated points, ...
