Universitat de Girona
La Universitat de Girona és una institució pública que cerca l’excel·lència en la docència i en la recerca, i que participa en el progrés i el desenvolupament de la societat, mitjançant la creació, transmissió, difusió i crítica de la ciència, la tècnica, les humanitats, les ciències socials i les arts.La Universitat de Girona està arrelada al país i a la cultura catalana i és un dels principals motors econòmics i culturals del seu entorn. Al mateix temps, expressa la vocació d’universalitat i d’obertura a totes les tradicions, avenços i cultures.La Universitat té la seva seu a la ciutat de Girona i s’integra en el sistema d’universitats públiques catalanes.
Si sou autor/a d’algun document elaborat en l’àmbit de la Universitat de Girona i voleu publicar-lo a RECERCAT, contacteu amb recercat@udg.edu.
Real-space analysis tools afford additive and transferable contributions of atoms to molecular properties. In the case of the molecular (hyper)polarizabilities, the atomic contributions that have been derived so far include ...
This work reports on an extensive assessment of the performance of a wide palette of density functional approximations in predicting the (high-order) electric properties of hydrogen-bonded complexes. To this end, we compute ...
Aromaticity is a pivotal concept in chemistry arising from electron delocalization in closed-loop systems that confers extra energetic stabilization. Its direct observation is not possible, making its quantification ...
La salinització dels ecosistemes d'aigua dolça és un problema ambiental global que amenaça la biodiversitat, el funcionament dels ecosistemes i el benestar humà. L'objectiu d'aquest estudi va ser investigar l'impacte ...
Malonate derivatives are readily available starting materials widely employed in the synthesis of bioactive compounds. Herein, we report a novel catalytic protocol for the direct desymmetrization of malonic acids via ...
Ethenolysis of unsaturated seed oils is an atom-efficient metathesis reaction that enables α-olefin production and fine chemical synthesis. By upcycling complex biobased molecules into value-added products, it supports ...
Alkene isomerization holds significant importance in organic chemistry and various chemical industries; however, achieving a high selectivity remains a major challenge. This comprehensive computational investigation delves ...
Herein we present compelling evidence of the intervention of electrophilic silver vinylcarbenes in the carbene-alkyne metathesis (CAM) reaction, leading to a pivotal C(sp2)-H insertion process. The delicate equilibrium ...
Molecular motors have been operated in a myriad of environments since their inception more than two decades ago. Of particular interest are systems in which a structural frame of reference for the motor’s rotary motion is ...
The expansion of silver nanoparticle (AgNP) applications in industry as antibacterial agents has generated an increment of their presence in the environment. Once there, their behavior is not clear because they can undergo ...
In the present study, we investigated the possibilities and drawbacks of hollow fiber liquid phase microextraction (HF-LPME) combined with total reflection X-ray fluorescence (TXRF) spectrometry for the determination of ...
Antimicrobial peptides (AMPs) are potential alternatives to antibiotics given the reduced likelihood of resistance and their high selectivity towards bacteria. AMPs with activity against antibiotic-resistant bacteria have ...
We have synthesized a set of bombesin derivatives with the aim of exploring their tumor targeting properties to deliver metal-based chemotherapeutics into cancer cells. Peptide QRLGNQWAVGHLL-NH2 (BN3) was selected based ...
Molecular aromaticity, like so many other basic notions in chemistry, is not a well-defined concept due to its unobservable nature. Despite its imprecise nature, it is a concept of utmost importance. In this review, we ...
The results of having applied the inverted classroom methodology in the peer instruction modality to two different courses of a second-year subject in the degree in chemistry are presented. In one of the corses, the modality ...
Antimicrobial and plant defence elicitor peptides have received attention on last decades as novel tools to combat bacterial plant diseases. We previously reported a library of peptide conjugates resulting from the combination ...
Rare earth elements (REEs) are known for their specialized optical and electronic properties that have led to their use in a wide range of applications, such as luminescent fibers employed in security papers (e.g., bank ...
Eumelanin is a multifunctional biomaterial that colors the skin, hair and eyes of mammals. Despite years of effort, its molecular structure remains unknown, limiting our understanding of its biological function and the ...
Photochemical aging in secondary organic aerosol (SOA) particles alters their chemical composition and affects their adverse health effects. However, there is limited mechanistic insight on the role of transition metals ...
The use of biogas as a renewable energy source is expanding rapidly, propelled by increasingly stringent climate policies that reduce fossil-fuel reliance and greenhouse gas emissions. However, trace impurities, particularly ...
