Universitat de Barcelona
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.
Si sou membre de la UB i esteu interessat a publicar materials de recerca contacteu amb
dipositdigital@ub.edu
o consulteu les
indicacions
.
Política d’accés obert a la UB
Publicacions en accés obert derivades de l'activitat investigadora del professorat de la Universitat de Barcelona.
Identifying molecular structures from vibrational spectra is central to chemical analysis but remains challenging due to spectral ambiguity and the limitations of single-modality methods. While deep learning has advanced ...
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 ...
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, ...
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 ...
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 ...
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 ...
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 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 ...
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 ...
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 ...
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 ...
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 ...
A series of 4-ethynylaniline gold(I) complexes containing monophosphanes (1,3,5-triaza-7-phosphaadamantane, PTA, 2; 3,7-diacetyl-1,3,7-triaza-5-fosfabiciclo[3.3.1]nonane, 3; and PR3, being R = naphtyl, 4; phenyl, 5 and ...
The reaction of DyCl3.6H2O with the mixed ligand system consisting of o-vanillin based Schiff base ligand H2L [2-(2-hydroxy-3-methoxybenzylideneamino) phenol], dibenzoylmethane (Ph2acac) and acetylacetone (Acac) in the ...
The synthesis of a new phosphorus dendrimer peripherally functionalized with the cage ligand tris(1,2‐dimethylhydrazino) diphosphane is described. In addition, dendrons (dendritic wedges) containing the same cage ligand ...
Trp(Nps)-Lys-NH2 derivatives, bearing alkyl or guanidine groups either at the N-terminus or on the Lys side-chain or at both positions were conveniently prepared on solid-phase and evaluated as TRPV1 channel antagonists.
Polychlorinated trityl radicals bearing carboxylate substituents are water soluble persistent radicals that can be used for dynamic nuclear polarization. In contrast to other trityl radicals, the polarization mechanism ...
The preparation of heterometallic, lanthanide-only complexes is an extremely difficult synthetic challenge. By a ligandbased strategy, a complete isostructural series of dinuclear heterometallic [LnPr] complexes has been ...
We describe the use of dynamic combinatorial chemistry (DCC) to identify ligands for the stem-loop structure located at the exon 10-5'-intron junction of Tau pre-mRNA, which is involved in the onset of several tauopathies ...
A solution to the quantum Zermelo problem for control Hamiltonians with general energy resource bounds is provided. Interestingly, the energy resource of the control Hamiltonian and the control time define a pair of conjugate ...
