Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Unprecedented Fluorescent Dinuclear CoII and ZnII Coordination Compounds with a Symmetric Bis(salamo)-Like Tetraoxime.

ABSTRACT: Two unprecedented homometallic CoII and ZnII coordination compounds, [M₂(L)(OCH₃)][M₂(L)(OAc)] (MII = CoII (1) and ZnII (2)), with a novel symmetric bis(salamo)-like tetraoxime ligand H₃L were synthesized and characterized by elemental analyses, infrafred (IR), ultraviolet⁻visible spectroscopy (UV-Vis), fluorescent spectra and single-crystal X-ray diffraction analyses. The unit cell of the two coordination compounds contains two crystallographically and chemically independent dinuclear coordination compounds. In the two coordination compounds, three metal ions are five-coordinated, formed two square pyramidal and a trigonal bipyramidal geometries, and the other metal ion is a hexacoordinate octahedral configuration. In addition, the coordination compound 1 forms a 3D supramolecular structure, and the coordination compound 2 forms a 0D dimer structure by the inter-molecular hydrogen bond interactions. Meanwhile, the fluorescence spectra of the coordination compounds 1 and 2 were also measured and discussed.

SUBMITTER: Zhang LW

PROVIDER: S-EPMC6099918 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

A new co-crystal dinuclear/trinuclear ZnII-ZnII/ZnII-SmIII-ZnII complex with a salen-type Schiff base ligand.

Project description:In the penta-nuclear title complex, [SmZn2(C22H18N2O4)2(NCS)2(C3H7NO)2][Zn2(C22H18N2O4)(NCS)3]·C3H7NO·0.32H2O, namely bis-{μ2-6,6'-dimeth-oxy-2,2'-[phenyl-ene-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato}-1κ4 O,N,N',O':2κ3 O,O',O 6;2κ3 O,O',O 6:3κ4 O,N,N',O'-bis-(di-methyl-formamide-2κO)di-thiocyanato-1κN,3κN-2-samarium(III)-1,3-dizinc(II) {μ2-6,6'-dimeth-oxy-2,2'-[phenyl-ene-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato-1κ4 O,N,N',O':2κ2 O,O'}trithio-cyan-ato-1κN;2κ2 N,N-dizinc(II) di-methyl-formamide monosolvate 1.32-hydrate, a dinuclear unit and a trinuclear unit co-exist. One of the ZnII centers in the dinuclear unit as well as the two ZnII centers in the trinuclear unit are located in the inner N2O2 cavity of the ligand and are coordinated to the nitro-gen atom of one thio-cyanate moiety, giving rise to a square-pyramidal geometry. The second ZnII center in the dinuclear unit is coordinated to the two phenolate oxygen atoms of the ligand and to two thio-cyanate groups via the nitro-gen atom in a tetra-hedral geometry. The SmIII ion is eight-coordinated by four phenolate O atoms from the two ligand mol-ecules, two meth-oxy O atoms from the two ligand mol-ecules and two O atoms from the DFM solvent mol-ecule. In the dinuclear unit, the two meth-oxy oxygen atoms remain uncoordinated while in the trinuclear unit, for each ligand one meth-oxy oxygen is coordinated and the other one remains uncoordinated. In the crystal, the trinuclear cationic units and dinuclear anionic units are assembled into infinite layers. These layers are held together via electrostatic inter-actions, forming a three-dimensional structure. In the dinuclear unit, the C and S atoms of one of the thio-cyanate groups are disordered over two sets of sites in a 0.680 (4)(4):0.320 (4) ratio.

| S-EPMC6281091 | biostudies-literature

Bonding Analysis of Compounds with Unusual Coordination of Carbon: Proposed Symmetric Systems with Six-Coordinate Carbon.

Project description:The possibility of carbon tetravalence in geometries other than tetrahedral and of carbon hypervalence has been taken seriously since the 1970s. Computational modeling and subsequent experimental validation have established the existence of molecules with carbon atoms with planar tetravalence and as many as six objects in carbon's coordination sphere. In this work, we develop insight into the nature of bonding to carbon in these unusual environs as provided by Bader's Atoms in Molecules (AIM) analysis of the electron density, along with the electron localization function (ELF) and the non-covalent index (NCI). We review several well-established systems (spiropentadiene dication, hexamethyl benzene dication, dimethanospiro[2.2]octaplane dication, and 1,8-dimethoxy-9-dimethoxyanthracene cation) and propose new D2d-symmetric variants of a hexacoordinated species.

| S-EPMC7504323 | biostudies-literature

Two N,N'-bis-(pyridin-4-yl)pyridine-2,6-dicarboxamide coordination compounds.

Project description:The molecular structures of tetra-aqua-[N,N'-bis-(pyridin-4-yl)pyridine-2,6-dicar-boxamide]-sulfatomanganese(II) dihydrate, [Mn(SO4)(C17H13N5O2)(H2O)4]·2H2O or [Mn(H2L1)(SO4)(H2O)4]·2H2O, (I), and tetra-aqua-bis[N,N'-bis-(pyridin-4-yl)pyridine-2,6-dicar-boxamide]cadmium(II) sulfate tetra-hydrate, [Cd(C17H13N5O2)2(H2O)4]SO4·4H2O or [Cd(H2O)4(H2L1)2]·SO4·4H2O, (II), both contain a central metal atom in a distorted octa-hedral geometry coordinated equatorially by four oxygen atoms from water mol-ecules. In (I), the axial positions are occupied by a nitro-gen atom from H2L1 and an oxygen atom from the sulfate anion, whereas in (II), the axial positions contain two nitro-gen atoms from two different H2L1 ligands and the sulfate anion acts as the charge-balancing ion. ?-? stacking between pyridine rings and a network of hydrogen bonds involving the water molecules and the sulfate anions play a crucial role in the mol-ecular self-assembly of the two structures.

| S-EPMC6073001 | biostudies-literature

Copper(II) 2,2-Bis(Hydroxymethyl)Propionate Coordination Compounds with Hexamethylenetetramine: From Mononuclear Complex to One-Dimensional Coordination Polymer.

Project description:Three new copper coordination compounds derived from 2,2-bis(hydroxymethyl)propionic acid (dmpa) and hexamethylenetetramine (hmta) were obtained and their crystal structures were determined. The stoichiometry of the reagents applied in the syntheses reflects the metal to ligand molar ratio in the formed solid products. Due to the multiple coordination modes of the used ligands, wide structural diversity was achieved among synthesized compounds, i.e., mononuclear [Cu(dmp)2(hmta)2(H2O)] (1), dinuclear [Cu2(dmp)4(hmta)2] (2), and 1D coordination polymer [Cu2(dmp)4(hmta)]n (3). Their supramolecular structures are governed by O-H•••O and O-H•••N hydrogen bonds. The compounds were characterized in terms of absorption (UV-Vis and IR) and thermal properties. The relationships between structural features and properties were discussed in detail. Owing to discrepancies in the coordination mode of a dmp ligand, bidentate chelating in 1, and bidentate bridging in 2 and 3, there is a noticeable change in the position of the bands corresponding to the stretching vibrations of the carboxylate group in the IR spectra. The differences in the structures of the compounds are also reflected in the nature and position of the UV-Vis absorption maxima, which are located at lower wavelengths for 1.

| S-EPMC8199667 | biostudies-literature

Modulating the Primary and Secondary Coordination Spheres within a Series of CoII-OH Complexes.

Project description:The interplay between the primary and secondary coordination spheres is crucial to determining the properties of transition metal complexes. To examine these effects, a series of trigonal bipyramidal Co-OH complexes have been prepared with tripodal ligands that control both coordination spheres. The ligands contain a combination of either urea or sulfonamide groups that control the primary coordination sphere through anionic donors in the trigonal plane and the secondary coordination sphere through intramolecular hydrogen bonds. Variations in the anion donor strengths were evaluated using electronic absorbance spectroscopy and a qualitative ligand field analysis to find that deprotonated urea donors are stronger field ligands than deprotonated sulfonamides. Structural variations were found in the CoII-O bond lengths that range from 1.953(4) to 2.051(3) Å; this range in bond lengths were attributed to the differences in the intramolecular hydrogen bonds that surround the hydroxido ligand. A similar trend was observed between the hydrogen bonding networks and the vibrations of the O-H bonds. Attempts to isolate the corresponding CoIII-OH complexes were hampered by their instability at room temperature.

| S-EPMC5693292 | biostudies-literature

A Pair of CoII Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.

Project description:Thermal reactions of cobalt(II) salts with flexible N,N'-bis(pyrid-3-ylmethyl)adipoamide (L) and angular 4,4'-sulfonyldibenzoic acid (H2SDA) in H2O and CH3OH afforded a pair of supramolecular isomers: [Co2(L)(SDA)2], 1, and [Co2(L)(SDA)2]⋅CH3OH⋅H2O, 2. The structure of complex 1 can be simplified as a one-dimensional (1D) looped chain with L ligands penetrating into the middles of squares, forming a new type of self-catenated net with the (42⋅54)(4)2(5)2 topology, whereas complex 2 displays a 2-fold interpenetrated 2D net with the rare (42⋅68⋅8⋅104)(4)2-2,6L1 topology. While both complexes 1 and 2 display antiferromagnetism with strong spin-orbital coupling, the antiferromagnetism of 2 is accompanied by a cross-over behavior and probably a spin canting phenomenon.

| S-EPMC6982743 | biostudies-literature

Symmetric Bis-benzimidazoles Are Potent Anti-Staphylococcal Agents with Dual Inhibitory Mechanisms against DNA Gyrase

Project description:Various bis-benzimidazole derivatives have been reported to possess activity against Gram-positive pathogens. No mechanism of action has been elucidated to fully account for the antibacterial activity of this class of compounds. A group of symmetric bis-benzimidazoles (BBZ) designed as anticancer agents have previously been shown to possess moderate antiproliferative activity. We sought to assess the antibacterial activity and mechanism of action of BBZ compounds against Staphylococcus aureus. Antibacterial activities were assessed by determination of minimal inhibitory concentrations (MICs), time-kill curves, and scanning electron microscopy. Transcriptional responses to BBZ treatment were determined using whole genome microarrays. Activities against bacterial type II topoisomerases were investigated using in vitro supercoiling, decatenation, DNA binding, and DNA cleavage inhibition assays. MICs for EMRSA-16 were between 0.03 and 0.5 μg/mL. The compounds showed concentration-dependent bactericidal activity and induced cell swelling and lysis. Transcriptional responses to BBZ were consistent with topoisomerase inhibition and DNA damage. A subset of BBZ compounds inhibited S. aureus DNA gyrase supercoiling activity with IC50 values in the range of 5−10 μM. This inhibition was subsequently shown to operate through both inhibition of binding of DNA gyrase to DNA and accumulation of single-stranded DNA breaks. We conclude that BBZ compounds are potent antistaphylococcal agents and operate at least in part through DNA gyrase inhibition, leading to the accumulation of single-stranded DNA breaks, and by preventing the binding of gyrase to DNA. [Data is also available from http://bugs.sgul.ac.uk/E-BUGS-106]

2012-10-14 | E-BUGS-106 | biostudies-arrayexpress

A Highly Fluorescent Dinuclear Aluminium Complex with Near-Unity Quantum Yield.

Project description:The high natural abundance of aluminium makes the respective fluorophores attractive for various optical applications, but photoluminescence quantum yields above 0.7 have yet not been reported for solutions of aluminium complexes. In this contribution, a dinuclear aluminium(III) complex featuring enhanced photoluminescence properties is described. Its facile one-pot synthesis originates from a readily available precursor and trimethyl aluminium. In solution, the complex exhibits an unprecedented photoluminescence quantum yield near unity (Φabsolute 1.0±0.1) and an excited-state lifetime of 2.3 ns. In the solid state, J-aggregation and aggregation-caused quenching are noted, but still quantum yields of 0.6 are observed. Embedding the complex in electrospun non-woven fabrics yields a highly fluorescent fleece possessing a quantum yield of 0.9±0.04.

| S-EPMC9313782 | biostudies-literature

Exploration and application of a highly sensitive bis(salamo)-based fluorescent sensor for B4O72- in water-containing systems and living cells.

Project description:A highly selective fluorescent sensor H4L based on a bis(salamo)-type compound with two N2O2 chelating moieties as ionophore was successfully developed. Sensor H4L was found to have excellent selectivity for B4O72- over many other anions (Br-, CI-, CN-, CO32-, HCO3-, H2PO4-, HSO4-, NO3-, OAc-, S2O3-, SCN-, SO42-, Hcy (homocysteine) and H2O2), and it exhibited an approximately 150-fold enhancement of the fluorescence response to B4O72- in Tris-HCl buffer (DMF/H2O = 9:1, v/v, pH = 7) solutions. Significantly, its fluorescence intensity was enhanced in a linear fashion with increasing concentrations of B4O72-. The detection limit of sensor H4L towards B4O72- was 8.61 × 10-7 M. The test strips could conveniently, efficiently and simply detect B4O72- ions in Tris-HCl buffer (DMF/H2O = 9:1, v/v, pH = 7) solutions. Furthermore, sensor H4L showed excellent membrane permeability in living cells, and it was successfully used to monitor intracellular B4O72- by confocal luminescence imaging.

| S-EPMC6145891 | biostudies-literature

Photophysical and Photobiological Properties of Dinuclear Iridium(III) Bis-tridentate Complexes.

Project description:A series of cationic dinuclear iridium(III) complexes (Ir1-Ir5) bearing terpyridine-capped fluorenyl bridging ligands and different polypyridyl or cyclometalating terminal tridentate ligands were synthesized, characterized, and evaluated for their photophysical and photobiological activities. The influence of the bridging and terminal ligands on the photophysical properties of the complexes was investigated by UV-vis absorption, emission, and transient absorption spectroscopy and simulated by TDDFT calculations. All of the complexes displayed strong bridging-ligand localized visible 1π,π* absorption and red- or near-infrared phosphorescence as well as broad triplet excited-state absorption across both visible and NIR wavelengths. These triplet states were assigned as predominantly 3π,π* for Ir1 (τ = 3.1 μs) and Ir4 (τ = 48 μs) and 3CT (charge transfer) for Ir2, Ir3, and Ir5 (τ = 1.7-2.7 μs). Complexes Ir1-Ir5 acted as in vitro photodynamic therapy (PDT) agents toward human SK-MEL-28 melanoma cells when activated with visible light, with submicromolar photocytotoxicity and phototherapeutic indices ranging from 20 to almost 300. The in vitro PDT effects with visible light did not correlate with singlet oxygen (1O2) quantum yields or DNA photocleaving capacity probed under cell-free conditions. All of the Ir(III) complexes phosphoresced brightly when associated with compromised cells (with or without light treatment) and exhibited photoactivated cellular uptake, highlighting the theranostic potential of this new class of Ir(III) complex photosensitizers.

| S-EPMC6337720 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data