• Computational studies oriented towards the development of a greener chemistry 

  Luque Urrutia, Jesús Antonio (Date of defense: 26-03-2021)

  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 

  María Solano, Miguel Ángel (Date of defense: 12-02-2021)

  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 

  Dantignana, Valeria (Date of defense: 03-12-2020)

  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 

  Čelić, Mira (Date of defense: 15-12-2020)

  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 

  Oliveras Rovira, Àngel (Date of defense: 27-10-2020)

  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. ...

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