Crystal structures of two dimeric nickel di-phenyl-acetate com-plexes.

In the crystal structures of the title com-pounds, namely µ-aqua-κ2 O:O-di-µ-di-phenyl-acetato-κ4 O:O'-bis-[(di-phenyl-acetato-κO)bis-(pyridine-κN)nickel(II)], [Ni2(C14H11O2)4(C5H5N)4(H2O)] (1) and µ-aqua-κ2 O:O-di-µ-di-phenyl-acetato-κ4 O:O'-bis-[(2,2'-bi-pyridine-κ2 N,N')(di-phenyl-acetato-κO)nickel(II)]-aceto-nitrile-di-phenyl-acetic acid (1/2.5/1), [Ni2(C14H11O2)4(C10H8N2)2(H2O)]·2.5CH3CN·C14H12O2 (2), the com-plex units are stabilized by a variety of intra- and inter-molecular hydrogen bonds, as well as C-H⋯π and π-π contacts between the aromatic systems of the pyridine, dipyridyl and di-phenyl-acetate ligands. Despite the fact that the di-phenyl-acetate ligand is sterically bulky, this does not inter-fere with the formation of the described aqua-bridged dimeric core, even with a 2,2'-bi-pyridine ligand, which has a strong chelating effect.

Does [TcF(CO)5] exist? The crystal and molecular structure of [Tc(CO)3(OH)0.49F0.51]4·[Tc(CO)5(BF4)].

Technetium pentacarbonyl fluoride [TcF(CO)5] was prepared for the first time by reaction of [TcI(CO)5] with solid AgF in a dichloromethane solution at -23 °C. Low temperature crystallization of the resulting compound in a glass vial yielded an unusual complex [Tc(CO)3(OH)0.49F0.51]4·[Tc(CO)5(BF4)] characterized by single crystal XRD.

Discovery of Novel Isatin-Based p53 Inducers.

A series of isatin Schiff base derivatives were identified during in silico screening of the small molecule library for novel activators of p53. The compounds selected based on molecular docking results were further validated by a high-content screening assay using U2OS human osteosarcoma cells with an integrated EGFP-expressing p53-dependent reporter. The hit compounds activated and stabilized p53, as shown by Western blotting, at higher rates than the well-known positive control Nutlin-3. Thus, the p53-activating compounds identified by this approach represent useful molecular probes for various cancer studies.

Cyclometallated platinum(II) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.

A series of square planar [Pt(N^C)(NHC)L] complexes containing cyclometallated N^C ligands (phenylpyridine and benzoquinoline) and N-heterocyclic carbene (NHC)--N^C = 2-phenylpyridine, 7,8-benzoquinoline; NHC = 1,3-dibenzylbenzimidazolium, 1,3-diethylbenzimidazolium, 1,3-dibenzylimidazolium; L = Cl, Br, -C2Ph--have been synthesized in moderate to good yields. The complexes obtained were characterized using chemical analysis, MS-ESI spectrometry, NMR spectroscopy and X-ray crystallography. The complexes display moderate to strong phosphorescence in solution (Q.Y. 0.3-7.9%) and in the solid state (Q.Y. 2.7-16.0%), which is related to metal modulated intraligand π-π* transitions located at the aromatic system of cyclometallated ligands with some contribution of the MLCT excited state. Emission lifetimes fall in the range of 0.2-1.5 µs in solution and amount up to 13 µs in the solid state. Analysis of the spectroscopic data together with the density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations clearly support this assignment and show negligible contribution of the auxiliary ligands to the emissive excited states. The compounds obtained were also used to prepare organic light emitting diode (OLED) devices, which display good luminance efficiency emitting in the green area of the visible spectrum.

New supramolecular Au(I)-Cu(I) complex as potential luminescent label for proteins.

A novel supramolecular [Au6Cu2(C2C6H4-4-COONC4H4O2)6(Ph2PC6H4PPh2)3](PF6)2 complex functionalized with a succinimide ester alkynyl substituent has been synthesized and characterized using X-ray crystallography, mass spectrometry, and NMR spectroscopy. Like the other complexes of this class, it demonstrates bright emission in acetone and dichloromethane solutions with the excited state lifetime in a microsecond domain. This complex readily reacts with a surface amine group of proteins/enzymes (human serum albumin (HSA), rabbit anti-HSA antibodies, soybean trypsin inhibitor, and α-chymotrypsin) to give covalent conjugates, which contain up to five molecules of the luminescent label bound to the biomolecule. The conjugates keep a high level of the phosphorescent label emission, but in contrast to the parent complex molecule, display excellent solubility and high stability in physiological media. Investigation of the biological activity of the conjugates also showed that the specific structure of the biomolecules remained nearly unchanged upon bonding with the label, which is indicative of a very prospective of the conjugates application in biomolecular detection.

catena-Poly[[cobalt(II)-µ-aqua-di-µ-butano-ato-κO:O';κO:O] 0.7-hydrate].

In the title coordination polymer, {[Co(C(3)H(7)COO)(2)(H(2)O)]·0.7H(2)O}(n), the Co(2+) cation is coordinated by four bridging butano-ate anions and two bridging water mol-ecules in a severely distorted octa-hedral geometry. The Co(2+) cations are linked by means of bridging ligands into polymeric chains along [010]. These chains are further connected to each other through hydrogen bonds involving partially occupied disordered water mol-ecules; thus, sheets parallel to (001) are formed. One of the positions of disordered water O atom lies on a twofold axis. Two atoms of the aliphatic chain of one of the butanoate anions are disordered over two positions each.

Technetium(I) carbonyl dithiocarbamates and xanthates.

Technetium(I) tetracarbonyl complexes with diethyldithiocarbamate and methylxanthate ligands [TcL(CO)(4)] (L = S(2)CNEt(2) and S(2)COMe) were prepared. Conditions required for the formation of these complexes were found. The crystal and molecular structure of the xanthate complex was determined by single-crystal X-ray diffraction. [Tc(S(2)CNEt(2))(CO)(4)] undergoes decarbonylation both in solution and in the course of vacuum sublimation with the formation of a dimer [Tc(S(2)CNEt(2))(CO)(3)](2) whose structure was determined by single-crystal X-ray diffraction. In donor solvents, [Tc(S(2)CNEt(2))(CO)(4)] and [Tc(S(2)COMe)(CO)(4)] undergo decarbonylation with the formation of tricarbonyl solvates [TcL(CO)(3)(Sol)]. The crystal structure of the pyridine solvate [Tc(S(2)CNEt(2))(CO)(3)(py)], chosen as an example, was determined by single-crystal X-ray diffraction. The possibility of using bidentate S-donor acidic ligands for tethering the tetracarbonyltechnetium fragment to biomolecules was examined.

catena-Poly[[cobalt(II)-µ-aqua-µ-propano-ato-κO:O'-µ-propano-ato-κO:O] monohydrate].

The title compound, {[Co(C(2)H(5)COO)(2)(H(2)O)]·H(2)O}(n), was synthesized by the reaction of cobalt(II) carbonate hydrate with aqueous propionic acid. The structure consists of polymeric infinite linear chains with composition [Co(C(2)H(5)COO)(4/2)(H(2)O)(2/2)](∞) running along [010]. The chains are formed by Co(2+) ions linked with bridging propionate groups and water mol-ecules, with a Co⋯Co distance along the chains of 3.2587 (9) Å. The Co(2+) ion is six-coordinated in a strongly distorted octa-hedral geometry. The chains are connected to each other by a network of O-H⋯O hydrogen bonds involving solvent water mol-ecules.

Hexacarbonyl-technetium(I) perchlorate.

The title compound, [Tc(CO)(6)]ClO(4), was synthesized by the reaction of [TcCl(CO)(5)] with AgClO(4), followed by acidification with HClO(4) under a CO atmosphere. The [Tc(CO)(6)](+) cation has close to idealized octa-hedral geometry, with the bond angles between cis-CO groups close to 90° and the Tc-C bond lengths in the range 2.025 (3)-2.029 (3)Å. The perchlorate anion is disordered over two crystallographically equivalent half-occupied positions. The Tc atom in the [Tc(CO)(6)](+) cation is located on an inversion centre.