Departament de Química: Recent submissions
Now showing items 21-40 of 144
Supramolecular nanocapsules as platforms for molecular recognition and reactivity in confined spaces
The use of self-assembly to bring simple building blocks together into complex product, has led to the preparation of an increasing number of sophisticated and functional 3D supramolecular nanocapsules. By understanding ...
Enzymatic and bioinspired iron oxidation chemistry: a computational study
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 ...
Characterization of adsorption processes for the removal of metal ions from waste effluents using biosorbents and graphene-based sorbents. Studies in Batch and in fixed-bed column
Wastewater discharged from industrial and agricultural activities contains relatively large amounts of toxic metal ions, especially including Cd(II), Cu(II), Pb (II), and Cr(VI). The removal of these pollutants is of ...
Analysis, occurrence, fate and behaviour of emerging micropollutants in wastewater and the receiving environment
The presence of xenobiotics - such as pharmaceutically active compounds, endocrine disrupting compounds and pesticides - in the aquatic environment has risen great environmental concern due to their high toxicity even at ...
Macrocyclic chemistry. From anion recognition to the reactivity of their copper complexes
Macrocyclic ligands and its complexes have been studied in a wide variety of fields, among them bioinorganic chemistry. In this work it is reported three studies of macrocyclic species under three points of view. Firstly, ...
Removal of pharmaceuticals in wastewater combining different treatment technologies: suspect screening identification and risk assessment of transformation products
The low efficiency of wastewater treatment plants to achieve the complete removal of micropollutants, including pharmaceuticals, has motivated the development of alternative water technologies to improve their efficiency, ...
Small-molecule mimics of rieske oxygenases. Application to selective aliphatic C-H hydroxylation and olefin syn-dihydroxylation
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 example because it is ...
Computational studies oriented towards the development of a greener chemistry
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 ...
Computational studies of the conformational landscape of allosteric and enantioselective enzymes
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 ...
Bioinspired metal-based oxidants: selectivity in catalytic hydroxylation of aliphatic C-H bonds and insight into the reactivity of oxoiron species
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 ...
Target analysis and suspect screening of wastewater derived contaminants in receiving riverine and coastal areas and assessment of environmental risks
The main objective of this thesis is to evaluate the impact of wastewater discharges on receiving riverine and coastal ecosystems by studying the occurrence and fate of emerging contaminants (ECs). Since there is a myriad ...
Síntesi de lipopèptids i de pèptids conjugats derivats de BP100. Caracterització estructural de lipopèptids lineals i cíclics
Nowadays, around a third of the agricultural production is lost due to the damage caused by pests, resulting in a significant economic impact. It is estimated that about a third of these losses are provoked by phytopathogens. ...
Analytical methodology based on a silicone rod (SR) micro extraction combined with HPLC-DAD method for the determination of pharmaceuticals and antibacterial products in effluent wastewaters: characterization of the sorption removal processes by cork
Solid-phase microextraction (SPME) allow the achievement of high enrichment levels by using small volumes of solvents, enabling the low detection limits required for the determination of ketoprofen, naproxen, carbamazepine, ...
Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals
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 ...
Development of new transition metal complexes for their use in sustainable catalytic processes and as antitumoral agents
In this thesis we present the synthesis and characterization of different types of ruthenium complexes containing N-donor ligands together with monodentate ligands, along with their complete characterization through s ...
First row transition metal carbenes: from supporting ligands to organic reactive fragments
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. ...
KSL-W analogues, peptide conjugates and tryptophan-containing cyclic peptides with activity against plant pathogens
Plant diseases produced by bacteria are responsible for considerable economic losses. These phytopathologies are highly contagious and difficult to control. With this aim, we selected peptides reported as plant defense ...
Cyclization reactions for the functionalization of fullerenes: experimental and theoretical studies
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 ...
Novel developments in the Diffusive Gradient in Thin films (DGT) technique for the determination of bioavailable mercury and other trace metals in aquatic and terrestrial environments
This thesis is focused on the use of the Diffusive Gradient in thin film (DGT) technique for the analysis of bioavailable mercury and other trace metals in water and soil. Homemade DGT devices using a selective ion-exchange ...
Occurrence and behaviour of silver nanoparticles in the environment: analytical methodologies and laboratory studies
The production of engineered nanomaterials (ENMs) has grown in last years due to their special physicochemical properties in respect to their bulk counterparts, derived from their small size (1-100 nm). Among the existing ...
