Universitat de Barcelona
Now showing items 1-20 of 978
The ability to easily generate anisotropic hydrogel environments made from functional molecules with microscale resolution is an exciting possibility for the biomaterials community. This study reports a novel 3D ...
A convenient protocol for the preparation of 5-phenyl-10,15,20-tris(4-sulfonatophenyl) porphyrin, a water-soluble porphyrin with unique aggregation properties, is described. The procedure relies on the one-pot reductive ...
Bacterial resistance to almost all available antibiotics is an important public health issue. A major goal in antimicrobial drug discovery is the generation of new chemicals capable of killing pathogens with high selectivity, ...
A new bis-hydroxyphenylpyrazolyl ligand, H4L, allows isolating and structurally characterizing vanadyl and titanyl dinuclear complexes (Bu4N)2[(MO)2(HL)2] (M = V, Ti). The weak dipolar coupling and relatively short quantum ...
The activity of RING ubiquitin ligases (E3s) depends on an interaction between the RING domain and ubiquitin conjugating enzymes (E2), but posttranslational events or additional structural elements, yet largely undefined, ...
In the diffraction resolution of crystal structures, thermal ellipsoids are a critical parameter that is usually more difficult to determine than atomic positions. These ellipsoids are quantified through Anisotropic ...
The distribution of distances from atoms of a particular element E to a probe atom X (oxygen in most cases), both bonded and intermolecular non-bonded contacts, has been analyzed. In general, the distribution is characterized ...
The e ect of oriented external electric elds (OEEF) on chemical reactivity has been studied theoretically and computationally in the last decades. A central goal in this research area is to predict the orientation and the ...
The reaction path is a central subject in theoretical chemistry. It is a pathway imagined on the potential energy surface (PES). It provides a one-dimensional description of a chemical reaction in an N-dimensional configuration ...
A phosphine-gold(I)-alkynyl-coumarin complex, [Au{7-(prop-2-ine-1-yloxy)-1-benzopyran-2-one}-(DAPTA)] (1), was synthesized and the formation of long luminescent fibers in solution was characterized via fluorescence microscopy ...
A cyclometalated IrIII complex conjugated to a far-red-emitting coumarin, IrIII-COUPY (3), was recently shown as a very promising photosensitizer suitable for photodynamic therapy of cancer. Therefore, the primary goal of ...
Palladium C−H bond activation in azobenzenes with R1 and R2 at para positions of the phenyl rings (R1 = NMe2, R2 = H (L1); R1 = NMe2, R2 = Cl (L2); R1 = NMe2, R2 =I(L3); R1 = NMe2, R2 = NO2 (L4); R1 = H, R2 =H(L5)) and ...
An efficient method for the preparation of siRNAs modified with ribo-like North bicyclo[3.1.0]hexane pseudosugars is described. The combined use of 2'-O-(2-cyanoethoxymethyl) (CEM) and 2'-O-TBDMS protection was successfully ...
Artificial magnetic molecules can host several spin qubits, which could then implement small-scale algorithms. In order to become of practical use, such molecular spin processors need to increase the available computational ...
Methionine residues within the kinase domain of Src serve as unique NMR probes capable of distinguishing between distinct conformational states of full-length Src, including alternative drug-inhibited forms. This approach ...
A designed dimetallic Fe(II) helicate made with biphenylenebridged bispyrazolylpyridine ligands and exhibiting a process of spin crossover at temperatures above ambient is shown to encapsulate an S = 5/2 tris-oxalato Fe(III) ...
The magnetic structure of the [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4·2.5 H2Ocrystal - using fractional coordinates determined at room-temperature ¿ has beenanalysed in detail. This analysis has been carried out by extending ...
In signaling proteins, intrinsically disordered regions often represent regulatory elements, which are sensitive to environmental effects, ligand binding, and post‐translational modifications. The conformational space ...
We explain the propagating austenite-martensite phase boundary by a Frenkel-Kontorova model for a chain of meshes along a ledge of the phase transitions. We demonstrate such steps for example chains of 16 and 47 meshes. ...
We describe for the first time the synthesis and photochemical properties of a coumarin-caged cyclic RGD peptide and demonstrate that uncaging can be efficiently performed with biologically compatible green light. This was ...
