Química Inorgànica i Orgànica

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Els materials de recerca de la Universitat de Barcelona (UB) a RECERCAT s'obtenen de les col·leccions de Recerca del Dipòsit Digital de la UB.
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Publicacions en accés obert derivades de l'activitat investigadora del professorat de la Universitat de Barcelona.

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Llista ítems afegits recenment

Gold(I) organometallic supramolecular assemblies. Luminescence and applications 

Lima, João Carlos; Rodríguez Raurell, Laura (Publication date: 2026-03-17)

This chapter explores the fascinating domain of gold(I) organometallic supramolecular assemblies, emphasizing their luminescence properties and versatile applications. Gold(I) complexes have shown remarkable potential due ...

Shortcut to Highly Fluorescent Perylene Derivatives: FromFluoranthene Fissure-Coupling to Late-Stage Aromatic Extension 

Capdevila, Lorena; Sala, Judith; Berga, Cristina; Aquino Samper, Araceli de; Parella, Teodor; Blancafort, Lluís; Rodríguez Raurell, Laura; Simon, Sílvia; Ribas, Xavi (Publication date: 2026-03-17)

<p>Access to extended perylene-based nanographenes (NGs) is severely limited and involves tedious multi-step synthetic procedures. Here a two-step synthesis shortcut to highly soluble, bent, and extended perylene-based NGs ...

Novel synthetic polymyxins kill Gram-positive bacteria 

Rudilla Mateo, Héctor; Pérez Guillén, Isabel; Rabanal Anglada, Francesc; Sierra Ortigosa, Josep Maria; Vinuesa Aumedes, Teresa; Viñas, Miquel (Publication date: 2026-03-16)

Background: Staphylococcus aureus, including 'superbug' MRSA, is a major cause of nosocomial infections. In the European Union, up to 171 200 new nosocomial MRSA infections are acquired annually, and in the USA S. aureus ...

Insights into type I photoreactivity of cyclometalated iridium(III) and ruthenium(II) photosensitizers 

Vigueras, Gloria; Marchán Sancho, Vicente; Ruiz, José (Publication date: 2026-03-11)

Photodynamic therapy (PDT) is a light-activated treatment that relies on the generation of cytotoxic reactive oxygen species (ROS). While most clinically approved photosensitizers (PSs) operate through a type II mechanism—based ...

A Cathepsin B-Triggered CO-Releasing Molecule with a Non-Toxic Metal Core for Targeted Tumor Delivery 

Cernauskiene, Inga; Izquierdo García, Eduardo; Keller, Sarah; Betts, Harley; Cariou, Kevin; Marchán Sancho, Vicente; Gasser, Gilles; Bernardes, Gonçalo J. L. (Publication date: 2026-03-11)

Carbon monoxide (CO) has shown therapeutic potential across various diseases, including cancer. To enable controlled delivery, many CO-releasing molecules (CORMs) have been developed. However, their clinical translation ...

Transfer learning based on atomic feature extraction for the prediction of experimental <sup>13</sup>C chemical shifts 

Ivković, Žarko; Jover Modrego, Jesús; Harvey, Jeremy (Publication date: 2026-03-02)

Forecasting experimental chemical shifts of organic compounds is a long-standing challenge in organic chemistry. Recent advances in machine learning (ML) have led to routines that surpass the accuracy of ab initio Density ...

Colistin-loaded biodegradable nanoparticles as a promising antibacterial medication to reduce colistin-induced toxicity 

Cano Fernández, Amanda; Ettcheto Arriola, Miren; Sánchez-López, E. (Elena); Guzman, Laura; Segovia, Roser; Espina García, Marta; Carbó Banús, Marcel·lí; Olloquequi, Jordi; Barenys Espadaler, Marta; Cajal Visa, Yolanda; Camins, Àngels; García López, María Luisa; Rabanal Anglada, Francesc (Publication date: 2026-02-19)

Infectious diseases cause mortality rates over 17 million people per year. Among them, bacterial infections constitute one of the major causes. Pneumonia and nosocomial infections are the most severe bacterial infections. ...

Rhodium(I) Complexes with a n1- Fluorenyl, <em>P</em>-Phosphanyl-Phosphorane Ligand 

Eusamio, Javier; Saumell Palacios, Nil; Vidal Ferran, Anton; Grabulosa, Arnald (Publication date: 2026-02-18)

The first example of a P-phosphanylphosphorane, Flu�PCy2−PCy2 (L2; Flu = 9-fluorenyl), has been easily prepared by P-phosphination of lithiated 9-dicyclohexylphosphinofluorene (FluPCy2, L0) with chlorodicyclohexylphosphane. ...

Self-assembly of a supramolecular spin-crossover tetrahedron 

Nielsen, Hannah H.; Vilarino Casaus, Pol; Rodriguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí Bedmar, Guillem; Aguilà Avilés, David (Publication date: 2026-02-02)

Spin-crossover (SCO) compounds are fascinating switchable materials with great potential for the development of novel technological devices. These coordination complexes exhibit metal ions with two possible electronic ...

Time-optimal control of a solid-state spin amidst dynamical quantum wind 

Albareda, Guillermo; Guo, Guang-Can; Sun, Fang-Wen; Dong, Yang; Jiang, Wang; Gao, Xue-Dong; Yu, Cui; Liu, Yong; Zhang, Shao-Chun; Chen, Xiang-Dong; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Sentis, Gael; Ramos, Ramon (Publication date: 2026-01-22)

Time-optimal control holds promise across the full spectrum of quantum technologies, where the rapid generation of unitary gates and state transformations is crucial to mitigate decoherence effects. In practical scenarios, ...

Folate-Receptor-Targeted Gold Nanoparticles Bearing a DNA-Binding Anthraquinone 

Caballero Hernández, Ana Belén; Hodges, Nikolas J.; Hannon, Michael J. (Publication date: 2026-01-12)

In recent years, anthraquinones have been widening their therapeutic opportunities given their numerous health benefits. The search for adequate delivery platforms to improve their pharmacokinetics leads us to propose ...

Confronting positions: para- vs. meta-functionalization in triindole for p-type air-stable OTFTs 

Cuadrado Santolaria, Alba; Bujaldón Carbó, Roger; Fabregat, Clara; Puigdollers i González, Joaquim; Velasco Castrillo, Dolores (Publication date: 2025-10-13)

The 5,10,15-trihexyl-10,15-dihydro-5H-diindolo[3,2-a:3′,2′-c]carbazole core, namely triindole, is well-known for its prominent hole-transporting properties and air stability. The functionalization of this core is also ...

Crystallographic and Computational Analysis of Oxyma B Cocrystals with Nitrogen-Containing Coformers: The Relevant Role of <em>n</em> → π* Interactions in Their Diverse Supramolecular Architectures 

Jemai, Mahdi; Barbas Cañero, Rafael; Barceló-Oliver, Miquel; Marouani, Houda; Albericio Palomera, Fernando; Frontera, Antonio; Prohens López, Rafael (Publication date: 2025-10-30)

Three new cocrystals of Oxyma-B, an important racemization suppressor for peptide synthesis, with 6-methylquinoline (I), 2,3,5,6-tetramethylpyrazine (II), and 1,10-phenanthroline (III) were synthesized and their single ...

Computational Study of a Copper-Catalyzed Synthesis of Fluoroalcohols from Alkylboranes and Ketones 

Gómez-Mudarra, Francisco A.; Aullón López, Gabriel; Jover Modrego, Jesús (Publication date: 2025-11-05)

Fluoroalcohols are a class of organic compounds containing one or more fluorine atoms together with an alcohol group in their molecular structure. These fluorinated species have a wide range of applications due to their ...

MAF amplification licenses ERα through epigenetic remodelling to drive breast cancer metastasis.  

Llorente Lope, Alicia; Blasco, M. T.; Espuny, Irene; Guiu, Marc; Ballaré, C.; Blanco, E.; Caballé, A.; Bellmunt, Anna; Salvador, F.; Morales, A.; Nuñez, M.; Loren, Guillem; Imbastari, Francesca; Fidalgo, Marta; Figueras-Puig, Cristina; Gibler, Patrizia; Graupera, M.; Monteiro, F.; Riera i Escalé, Antoni; Holen, I.; Avgustinova, A.; Di Croce, L.; Gomis, R. R. (Publication date: 2025-02-21)

MAF amplification increases the risk of breast cancer (BCa) metastasis through mechanisms that are still poorly understood yet have important clinical implications. Oestrogen-receptor-positive (ER+) BCa requires oestrogen ...

Behaviour of Pt/TiO2 catalysts with different morphological and structural characteristics in the photocatalytic conversion of ethanol aqueous solutions 

Cordoba Sola, Alberto; Ramírez de la Piscina, Pilar; Homs Martí, Narcís (Publication date: 2024-02-06)

Pt/TiO2 catalysts with a similar Pt dispersion and different morphological and structural characteristics were prepared, characterized and used in the photocatalytic transformation of aqueous ethanol solutions at room ...

Behaviour of Pt/TiO2 catalysts with different morphological and structural characteristics in the photocatalytic conversion of ethanol aqueous solutions 

Cordoba Sola, Alberto; Ramírez de la Piscina, Pilar; Homs Martí, Narcís (Publication date: 2024-02-06)

Pt/TiO2 catalysts with a similar Pt dispersion and different morphological and structural characteristics were prepared, characterized and used in the photocatalytic transformation of aqueous ethanol solutions at room ...

Cyclometallated Imides as Templates for the H-Bond Directed Iridium-Catalyzed Asymmetric Hydrogenation of N-Methyl, N-Alkyl and N-Aryl Imines.  

Wen, Y.; Fernández-Sabaté, M.; Lledós, Agustí (Lledós i Falcó); Sciortino, Giuseppe; Eills, James; Marco Rius, Irene; Riera i Escalé, Antoni; Verdaguer i Espaulella, Xavier (Publication date: 2024-10-09)

A combined computational and experimental approach allowed us to develop overall the most selective catalyst for the direct hydrogenation of N-methyl, N-alkyl and N-aryl imines described to date. Iridium catalysts with a ...

Behaviour of Pt/TiO2 catalysts with different morphological and structural characteristics in the photocatalytic conversion of ethanol aqueous solutions 

Cordoba Sola, Alberto; Ramírez de la Piscina, Pilar; Homs Martí, Narcís (Publication date: 2024-02-06)

Pt/TiO2 catalysts with a similar Pt dispersion and different morphological and structural characteristics were prepared, characterized and used in the photocatalytic transformation of aqueous ethanol solutions at room ...

Glycosidase mechanisms: Sugar conformations and reactivity in endo- and exo-acting enzymes 

Abrahão Bueno Morais, Mariana; Nin Hill, Alba; Rovira i Virgili, Carme (Publication date: 2025-02-24)

The enzymatic breakdown of carbohydrates plays a critical role in several biological events and enables the development of sustainable processes to obtain bioproducts and biofuels. In this scenario, the design of efficient ...

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