An enantiopure, conductive, and paramagnetic crystalline 3-D metal−organic framework (MOF), based on Dy(III) and the L-tartrate chiral ligand, is proved to behave as an almost ideal electron spin filtering material at room temperature, transmitting one spin component only, leading to a spin polarization (SP) power close to 100% in the ±2 V range, which is conserved over a long spatial range, larger than 1 μm in some cases. This impressive spin polarization capacity of this class of nanostructured materials is measured by means of magnetically polarized conductive atomic force microscopy and is attributed to the Chirality-Induced Spin Selectivity (CISS) effect of the material arising from a multidimensional helicity pattern, the inherited chirality of the organic motive, and the enhancing influence of Dy(III) ions on the CISS effect, with large spin−orbit coupling values. Our results represent the first example of a MOF-based and CISS-effect-mediated spin filtering material that shows a nearly perfect SP. These striking results obtained with our robust and easy-to-synthesize chiral MOFs constitute an important step forward in to improve the performance of spin filtering materials for spintronic device fabrication.

Density functional theory and a polarizable continuum model are used to (i) understand the affinity modulating mechanisms of the interaction between the metal-ion-dependent adhesion site (MIDAS) of a selected integrin, lymphocyte function-associated antigen-1 (LFA-1) and a ligand mimetic acetate molecule and to (ii) propose a new, promising family of inhibitors to block the interaction of the integrin with intercellular adhesion molecule-1 (ICAM-1). We quantify the effect of isolated factors, such as the metal coordination, the nature of the ligand or the cation present on the MIDAS, and the effect of the permittivity of the media. We show that the affinity for ligand decreases when metal coordination changes from the open conformation to the closed conformation. In addition, Mn2+ and Zn2+ showed to be good competitors for the octahedrically coordinated Mg2+ and yielded excellent affinity values, whereas Ca2+ in an octahedric environment would decrease the affinity for the ligand. Our affinity studies of the open MIDAS showed that nitronate-derived or carboxylic acid-containing ligands may represent new promising scaffolds of future inhibitors. Finally, we show that affinities are always highly favored by low-dielectric environments, which explains the propensity of MIDAS motifs to be surrounded by hydrophobic residues in integrins and highlights the importance of including hydrophobic groups in the inhibitors.

Luminescent coordination polymers (CPs) are known for their unique abilities to provide tunable emission processes originated at the interplay between their infinite inorganic and organic constituents combined in endless ways, thus yielding smart molecule-scaled materials to be processed as photodevices, sensors, optical storage systems or even logic gates. Nonetheless, most of these applications demand the occurrence of persistent luminescence to prevent background interference with the fluorescence signal. This is the reason why attention has been recently shifted to CPs exhibiting long-last- [a] 2155 (2007) from the University of the Basque Country. Her research has always been based on the use of computational techniques (both quantum and classical mechanics) to predict various types of molecular properties in the fields of organic, (bio)inorganic, and medicinal chemistry. Lately, her research has focused on the rational design and prediction of the magnetic and photoluminescence properties of new hybrid metal-organic materials. Antonio Rodríguez-Diéguez completed his PhD studies in Chemistry at the University of Granada in 2005. Since 2008, he has worked as Leading Researcher of different projects funded by the Junta de Andalucía (Spain) and, concurrently, he is Professor at the Inorganic Chemistry Department of the University of Granada. Over this period, his research interests have included crystal structure analysis by X-ray diffraction, the improvement of solvothermal methods, studies of magnetic and luminescence properties and, recently, the synthesis of metal-organic frameworks for therapeutic applications. Jose M. Seco received his degree in chemistry from University of the Basque Country (UPV/EHU) in 1990. In 1998, he completed his Ph.D. in chemistry in the laboratory of M. J. Gonzalez-Garmendia at the University of the Basque Country. Now he is a lecturer for Inorganic Chemistry in the UPV/EHU. In his current research, he studies single-molecule magnets and metal-organic frameworks with luminescence properties. Eider San Sebastian holds a degree in biochemistry (2000) and a PhD in organic chemistry

A new Zn(ii) based coordination polymer (CP) built by the cohesive pilling of 2D Shubnikov type layers is reported. This material exhibits time dependent multicoloured emission, part of which shows a persistent green phosphorescence visible for up to two seconds to the naked eye, which originates from multiple charge transfer mechanisms.