Articles publicats Departament de Química

Universitat de Girona Facultat de Lletres

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.


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Recent Submissions

Structure-activity relationship of peptide conjugates derived from BP100 and insights into their interactions with lipid membranes by NMR and MD simulations 

Riesco-Llach, Gerard; Oliveras Rovira, Àngel; Gil Caballero, Sergi; Badosa Romañó, Esther; Bonaterra i Carreras, Anna; Montesinos Seguí, Emilio; Feixas Geronès, Ferran; Planas i Grabuleda, Marta; Feliu Soley, Lidia (2025-01-31)

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 ...

An iterative synthesis of poly-substituted indole oligomers reveals a short effective conjugation length in eumelanin model compounds 

Huang, Haiyan; Kinziabulatova, Lilia; Manickoth, Anju; Zhang, Yiming; Barilla, Marisa A.; Blancafort San José, Lluís; Kohler, Bern; Lumb, Jean Philip (2025-03-14)

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 ...

Sampling to analysis: simultaneous quantification of siloxanes and sulfur compounds in biogas for cleaner energy 

Agarwal, Ayush; Torrent Fàbrega, Laura; Indlekofer, Julian; Bouchet, Sylvain; Culleton, Lucy P.; Biollaz, Serge M.A.; Ludwig, Christian (2025-11-27)

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 ...

Recycling rare earth metals from luminescent fibers by solvent extraction 

Szczeszak, Agata; Agarwal, Ayush; Torrent Fàbrega, Laura; Schuler, Albert J.; Grzyb, Tomasz; Przybylska, Dominika; Ludwig, Christian; Patil, Ajay B. (2025-04-01)

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 ...

Carbon-supported ZnO materials for sulfur capturing in supercritical water 

Maxim, Florentina; Stoian, Giuseppe Stefan; Toma, Elena Ecaterina; Borca, Camelia Nicoleta; Müller Gubler, Elisabeth Agnes; Atkinson, Irina; Torrent Fàbrega, Laura; Ludwig, Christian; Testino, Andrea (2025-04-24)

Sulfur (S) capturing materials working at supercritical water (SCW) conditions need to be designed and developed to overcome issues related with catalyst poisoning during the hydrothermal gasification of wet biomass, an ...

Copper accelerates photochemically induced radical chemistry of iron-containing secondary organic aerosol (SOA) 

Kilchhofer, Kevin; Ammann, Markus; Torrent Fàbrega, Laura; Cheung, Rico K.Y; Alpert, Peter A. (2025-07-28)

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 ...

From proof to practice − Sampling and analysis for simplified quantification of siloxanes in biogas 

Agarwal, Ayush; Torrent Fàbrega, Laura; Indlekofer, Julian; Madi, Hossein; Culleton, Lucy P.; Biollaz, Serge M.A.; Ludwig, Christian (2025-08-01)

Siloxanes in biogas pose significant challenges to energy systems, leading to operational inefficiencies and increased maintenance costs. This study advances the liquid quench sampling system (LQ) for accurate quantification ...

On the use of chemical bonding descriptors in machine learning 

Tomasini, Michele; Caporaso, Lucia; Gimferrer Andrés, Martí; Poater Teixidor, Albert (2026-03-01)

This review explores recent advances in machine learning in chemistry, emphasizing mechanistic understanding, performance optimization, and emerging design strategies. Key developments include novel synthesis routes, ...

Enhancing the Statistical Probability Factor in Triplet Fusion Upconversion via TIPS Functionalization. 

Naimovičius, Lukas; Dapkevičius, Manvydas; Radiunas, Edvinas; Miroshnichenko, Mila; Kreiza, Gediminas; Alcaide i Blaya, Carles; Baronas, Paulius; Sasaki, Yoichi; Yanai, Nobuhiro; Kimizuka, Nobuo; Pun, Andrew B.; Solà i Puig, Miquel; Bharmoria, Pankaj; Kazlauskas, Karolis; Moth-Poulsen, Kasper (2025-11-21)

We investigated the effect of triisopropylsilyl (TIPS) functionalization of annihilators in triplet-triplet annihilation photon upconversion on their spin statistical probability factor. A new green annihilator ...

Metallacarborane-functionalized graphene oxide as a recyclable UVC/UVA photocatalyst for micropollutant removal 

Mimouni, Nabila; Cabrera-Codony, Alba; Viñas Teixidor, Clara; Teixidor Bombardó, Francesc; Anticó i Daró, Ma. Enriqueta; Romero García, Isabel (2025-12)

This study reports the application of a metallacarborane-based photocatalyst for the removal of organic micropollutants in water. The anionic θ-cobaltacarborane salt H[3,3’-Co(1,2-C2B9H11)2] (abbreviated as H[1]) was ...

Polymer inclusion membrane (PIM) extraction technique for assessing metal interactions with organic pollutants and microplastics in aquatic systems 

Khatir, Nasim; Alcalde Saña, Berta; Anticó i Daró, Ma. Enriqueta; Fontàs Rigau, Clàudia (2025-05-24)

This study presents a novel approach for studying metal-contaminant interactions in aquatic environments, based on a polymer inclusion membrane (PIM) as extraction technique, for the divalent metal ions (Ni(II), Cu(II), ...

Lysosome-targeted Ru(ii)–cyclopentadienyl organometallic anticancer complexes 

Teixeira, Ricardo G.; Stenico, Lívia; Fontrodona, Xavier; Romero García, Isabel; Starosta, Radosław; Moreno, Maria João; Tomaz, Ana Isabel; Gomes-da-Silva, Lígia C.; Valente, Andreia (info:eu-re)

Cancer continues to pose a significant global health burden, prompting ongoing exploration of innovative therapeutic strategies. Ruthenium-based complexes have emerged as promising alternatives to platinum drugs due to ...

Determination of Artificial Sweeteners in Commercial Beverages: Do We Know What We Are Consuming? 

Castellanos, María del Mar; Sánchez Navarro, Juan Manuel (2025-10-11)

Non-nutritive artificial sweeteners (NASs) are xenobiotics widely used in the food industry as sugar substitutes, since they provide few to no calories compared to sucrose. While NASs are considered safe at the acceptable ...

Molecular aromaticity: a quantum phenomenon 

Solà i Puig, Miquel; Szczepanik, Dariusz W. (2025-09-25)

Preprint in: ChemRxiv, 2025, https://doi.org/10.26434/chemrxiv-2025-tzc36

Electrophilic insertion and ring growth in 1,2,5-azadiborolidines: theoretical evidence for boron-driven expansion 

Lucas-Rosales, Victor A.; Vázquez, Miguel A.; Merino, Gabriel; Poater Teixidor, Albert; Jiménez Halla, José Óscar Carlos (2025-09-08)

This study computationally investigates the reactivity of 1,2,5-azadiborolidine derivatives toward carbon monoxide (CO), extending ring-expansion mechanisms from borole chemistry. Establishing structural and electronic ...

Low-load Θ-metallacarboranes as safe and efficient photoredox catalysts for UVA-driven oxidation in water 

Guerrero Troyano, Isabel; Abdelgawwad, Abdelazim M.A.; Viñas Teixidor, Clara; Roca Sanjuán, Daniel; Francés-Monerris, Antonio; Romero García, Isabel; Teixidor Bombardó, Francesc (2025-09-17)

Transition-metal (TM) ions 4d6 or 5d6 configurations, typically used in photoredox catalysis, are often rare and expensive. In contrast, abundant first-row TM ions tend to favour metal-centered excited states, limiting ...

Evaluation of the quantitative performance of different spectroscopic techniques for multielemental analysis of nail and hair samples: A comparative study 

Silva, João; Marguí Grabulosa, Eva; Guillemaut, Romain; Jablan, Jasna; Migliori, Alessandro; Kasprzyk, Paula; Ferreira, Joaquim J.; Pessanha, Sofia (2025-12)

Background: The accurate detection and quantification of elemental content in skin appendages, such as, hair and nails are pivotal in biomedical research, including disease diagnostics, environmental exposure monitoring, ...

Characterization of σ and π reaction channels in hydrogen atom transfer reactions 

Ahsan, Faiza; Ansari, Mursaleem; Klein, Johannes E.M.N.; Swart, Marcel (2025-11-01)

C(sp3) –H bond activation mechanisms typically involve σ- and π-channel pathways, as characterized by FeOH (or FeOC) angles of ca. 180° and 120°, respectively. It is well known that the preference for either the σ- or ...

Pd nanoparticles supported on modified magnetic kaolin as a novel hydrogenation catalyst 

Karimi, Mahsa; Sadjadi, Samahe; Arabi, Hassan; Bahri-Laleh, Naeimeh; Poater Teixidor, Albert (2025-03-01)

Hydrogenation process is considered a vital and important step in the production of Poly-alpha-olefin oils. The development of novel catalytic systems is crucial for enhancing the efficiency of hydroprocessing. In recent ...

Towards the activity of twisted acyclic amides 

Tomasini, Michele; Caporaso, Lucia; Szostak, Michal; Poater Teixidor, Albert (2025-03-24)

N,N-Boc2 amides have emerged as the most common class of acyclic twisted amides that have been engaged in a range of C–N activation and cross-coupling processes of ubiquitous amide bonds. These amides are readily synthesized ...

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