Deseño e síntese de compostos de coordinación con afinidade por acúmulos de b-amiloide

Se diseñaran y sintetizarán nuevos complejos con el fragmento {M(CO)3}+ y con ligandos que incorporen en su estructura un fragmento afin a los b-amiloides y otro fragmento que proporcione una fijación robusta al centro metálico. Después se harán estudios de caracterización estructural, de sus propiedades espectroscópicas y de su interacción con fragmentos de b-amiloide.New different complexes with {M(CO)3}+ fragment and ligands which incorporate a fragment with affinity to b-amyloid and another fragment that provides a robust interaction to the metal center in their structure. Then make structural characterization studies, its spectroscopic properties and its interaction with b-amyloid fragments.Deseñaranse e sintetizaranse novos complexos co fragmento {M(CO)3}+ e con ligandos que incorporen na súa estrutura un fragmento con afinidade aos b-amiloides e outro con capacidade de fixar de forma robusta o centro metálico. Tamén se farán estudos de caracterización estrutural, das súas propiedades espectroscópicas e da súa interacción con fragmentos de b-amiloide.Ministerio de Economía y Competitividad de EspañaFondos FEDE

Crystal structure of 1-(4-formylbenzylidene)-4-methylthiosemicarbazone

The structure of the title compound, C10H11N3OS, comprises an approximately planar molecule, with the r.m.s. deviation for the 15 non-H atoms being 0.089 Å. The conformation about the imine bond is E and an intramolecular N—H...N hydrogen bond is evident. Molecules are linked into a supramolecular chain along the b axis by N—H...S hydrogen bonds

Crystal structure of 1-(4-formylbenzylidene)thiosemicarbazone

The asymmetric unit of the title compound, C9H9N3OS, contains two approximately planar molecules (r.m.s. deviations for 14 non-H atoms = 0.094 and 0.045 Å), with different conformations. In one of them, the C=O group is syn to the S atom and in the other it is anti. Each molecule features an intramolecular N—H...N hydrogen bond, which generates an S(5) ring. In the crystal, molecules are linked by N—H...O and N—H...S hydrogen bonds, generating discrete networks; the syn molecules form [010] chains and the anti molecules form (100) sheets

Neutral and cationic chelidonate coordination polymers with N,N′-bridging ligands

The biomolecule chelidonic acid (H2chel, 4-oxo-4H-pyran-2,6-dicarboxylic acid) has been used to build new coordination polymers with the bridging N,N′-ligands 4,4′-bipyridine (4,4-bipy) and 1,2-bis(4-pyridyl)ethane (bpe). Four compounds have been obtained as single crystals: 1D cationic coordination polymers [M(4,4-bipy)(OH2)4]2+ with chelidonate anions and water molecules in the second coordination sphere in 1∞[Zn(4,4-bipy)(H2O)4]chel·3H2O (2) and in the two pseudopolymorphic 1∞[Cu(4,4-bipy)(H2O)4]chel·nH2O (n = 3, 4a; n = 6, 4b), and the 2D neutral coordination polymers 2∞[Zn(chel)(4,4-bipy)(H2O)]·2H2O (1) and 2∞[Zn(chel)(bpe)(H2O)]·H2O (3) where the chelidonate anion acts as a bridging ligand. The effects of the hydrogen bonds on the crystal packing were analyzed. The role of the water molecules hosted within the crystals lattices was also studied.Ministerio de Ciencia e Innovación | Ref. PID2019-110218RB-I0

A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen

A series of new zinc compounds has been prepared easily under mild synthetic conditions with the drug ibuprofen incorporated as a ligand to form different coordination polymers. The host materials have a high drug content and exhibit high stability, low cytotoxicity, good biodegradability and high biocompatibility. The ion exchange mechanism involved in the ibuprofen release process and the pH-controlled drug release have been studied.Ministerio de Educación y Ciencia (Spain) | Ref. CTQ2010-19386/BQUEuropean Union (ERF) | Ref. CTQ2010-19386/BQUXunta de Galicia | Ref. 10TMT314002P

Exploration of the solid state metallosupramolecular chemistry of mononuclear nickel(II) complexes with α-hydroxycarboxylates and 2,2′-dipyridylamine

Ministerio de Educación y Ciencia | Ref. CTQ2010-19386/BQUXunta de Galicia | Ref. 10TMT314002PRFondos Feder | Ref. CTQ2010-19386/BQU - 10TMT314002P

A hexameric cationic copper(II) metallacrown as a pertechnetate and perrhenate scavenger

Materials based on the cationic copper(II) hexanuclear 18-membered metallacrown [18-MCCuII-N(2ph) -6] (2phH=2-piconyl hydrazide) and tetrafluoroborate, perchlorate, nitrate, sulfate, and perrhenate anions were prepared by an easy method in aqueous medium. Single-crystal X-ray characterization of six members of this new family of complexes showed that the anions are attached to the metallacrown by direct coordination to a copper cation or by hydrogen-bonding interaction with the center of the hexamer. The stable cationic nature of the complexes and their ability to bind different anions allows them to adsorb and immobilize environmentally relevant anions such as MO (M=Tc, Re). The MO trapping capacities suggest that these materials would be useful in the treatment of oxoanionic contaminants in water.Financial support from ERDF (EU), Ministerio de Ciencia e Innovación (Spain), and the Xunta de Galicia (Spain) under research projects CTQ2010-19386/BQU and 10TMT314002PR is gratefully acknowledged. A.B.L. thanks the Xunta de Galicia for a postdoctoral contract under the “Ángeles Alvariño” program.Peer Reviewe