Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

One-Dimensional Mercury Halide Coordination Polymers Based on A Semi-Rigid N-Donor Ligand: Reversible Structural Transformation.

ABSTRACT: Four one-dimensional (1D) mercury(II) halide coordination polymers have been synthesized by using a semi-rigid N-donor ligand, 2,2'-(1,4-phenylene)-bis(N-(pyridin-3-yl)acetamide) (1,4-pbpa). While [Hg(1,4-pbpa)Cl₂·CH₃OH]n, 1, forms a sinusoidal chain, the complexes [Hg(1,4-pbpa)X₂]n (X = Cl, 2; Br, 3; I, 4) are helical. The sinusoidal 1 undergoes reversible structural transformation with helical 2 upon removal and uptake of CH₃OH, which was accompanied with the conformation adjustment of the 1,4-pbpa ligand from trans anti-anti to trans syn-anti. Pyridyl ring rotation of the 1,4-pbpa ligand that results in the change of the ligand conformation is proposed for the initiation of the structural transformation.

SUBMITTER: Mahat Chhetri P

PROVIDER: S-EPMC6473486 | biostudies-other | 2019 Mar

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

One-Dimensional Mercury Halide Coordination Polymers Based on A Semi-Rigid N-Donor Ligand: Reversible Structural Transformation.

Mahat Chhetri Pradhumna P Yang Xiang-Kai XK Yang Chih-Tung CT Chen Jhy-Der JD

Polymers 20190306 3

Four one-dimensional (1D) mercury(II) halide coordination polymers have been synthesized by using a semi-rigid N-donor ligand, 2,2'-(1,4-phenylene)-bis(N-(pyridin-3-yl)acetamide) (1,4-pbpa). While [Hg(1,4-pbpa)Cl₂·CH₃OH]n, 1, forms a sinusoidal chain, the complexes [Hg(1,4-pbpa)X₂]n (X = Cl, 2; Br, 3; I, 4) are helical. The sinusoidal 1 undergoes reversible structural transformation with helical 2 upon removal and upta ...[more]

PMID: 30960420

Similar Datasets

Dynamic multiphase semi-crystalline polymers based on thermally reversible pyrazole-urea bonds.

Project description:Constructing responsive and adaptive materials by dynamic covalent bonds is an attractive strategy in material design. Here, we present a kind of dynamic covalent polyureas which can be prepared from the highly efficient polyaddition reaction of pyrazoles and diisocyanates at ambient temperature in the absence of a catalyst. Owing to multiphase structural design, poly(pyrazole-ureas) (PPzUs) show excellent mechanical properties and unique crystallization behavior. Besides, the crosslinked PPzUs can be successfully recycled upon heating (~130 °C) and the molecular-level blending of polyurea and polyurethane is realized. Theoretical studies prove that the reversibility of pyrazole-urea bonds (PzUBs) arises from the unique aromatic nature of pyrazole and the N-assisting intramolecular hydrogen transfer process. The PzUBs could further broaden the scope of dynamic covalent bonds and are very promising in the fields of dynamic materials.

| S-EPMC6802193 | biostudies-literature

A Semi Rigid Novel Hydroxamate AMPED-Based Ligand for 89Zr PET Imaging.

Project description:In this work, we designed, developed, characterized, and investigated a new chelator and its bifunctional derivative for 89Zr labeling and PET-imaging. In a preliminary study, we synthesized two hexadentate chelators named AAZTHAS and AAZTHAG, based on the seven-membered heterocycle AMPED (6-amino-6-methylperhydro-1,4-diazepine) with the aim to increase the rigidity of the 89Zr complex by using N-methyl-N-(hydroxy)succinamide or N-methyl-N-(hydroxy)glutaramide pendant arms attached to the cyclic structure. N-methylhydroxamate groups are the donor groups chosen to efficiently coordinate 89Zr. After in vitro stability tests, we selected the chelator with longer arms, AAZTHAG, as the best complexing agent for 89Zr presenting a stability of 86.4 ± 5.5% in human serum (HS) for at least 72 h. Small animal PET/CT static scans acquired at different time points (up to 24 h) and ex vivo organ distribution studies were then carried out in healthy nude mice (n = 3) to investigate the stability and biodistribution in vivo of this new 89Zr-based complex. High stability in vivo, with low accumulation of free 89Zr in bones and kidneys, was measured. Furthermore, an activated ester functionalized version of AAZTHAG was synthesized to allow the conjugation with biomolecules such as antibodies. The bifunctional chelator was then conjugated to the human anti-HER2 monoclonal antibody Trastuzumab (Tz) as a proof of principle test of conjugation to biologically active molecules. The final 89Zr labeled compound was characterized via radio-HPLC and SDS-PAGE followed by autoradiography, and its stability in different solutions was assessed for at least 4 days.

| S-EPMC8512011 | biostudies-literature

Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.

Project description:Chromeazurol B (Na2HL) is a pH-sensitive (halochromic) dye based on a hydroxytriarylmethane core and two carboxylate functional groups, which makes it suitable for the synthesis of coordination polymers. Two new coordination polymers [NaZn4(H2O)3(L)3]·3THF·3H2O (1) and [Zn3(H2O)3(?2-OH2)(?3-OH)(HL)2(H2L)]·2THF·3H2O (2) incorporating Chromeazurol B linkers have been prepared and characterised. The structure of 1 comprises pentanuclear heterometallic {Zn4Na} nodes linked by six L3- anions to give a layered structure with a honeycomb topology. 2 crystallizes as a double-chain ribbon (ladder) structure with two types of metal node: a mononuclear Zn(ii) cation and tetranuclear {Zn(ii)}4 cluster. Chromeazurol B anions link each tetranuclear cluster to four individual Zn(ii) cations and each Zn(ii) cation with four tetranuclear clusters. Both compounds show pH-sensitivity in water solution which can be observed visually, giving the first example of a halochromic coordination polymer. The halochromic properties of 1 towards HCl vapors were systematically investigated. As-synthesized violet-grey 1 reversibly changes color from orange to pink in the presence of vapors of 2 M and 7 M HCl, respectively. The coordination of the Chromeazurol B anion at each color stage was examined by diffuse reflectance spectroscopy and FT-IR measurements. The remarkable stability of 1 to acid and the observed reversible and reproducible color changes provide a new design for multifunctional sensor materials.

| S-EPMC5436038 | biostudies-literature

Assembly of ZnII and CdII coordination polymers with different dimensionalities based on the semi-flexible 3-(1H-benzimidazol-2-yl)propanoic acid ligand.

Project description:Two new coordination polymers, namely, poly[[?3-3-(1H-benzimidazol-2-yl)propionato]zinc(II)], [Zn(C10H8N2O2)] n , (1), and poly[bis-[?2-3-(1H-benzimid-azol-2-yl)propionato]cadmium(II)], [Cd(C10H8N2O2)2] n , (2) have been synthesized from 3-(1H-benzoimidazol-2-yl)propanoic acid ligands through a mixed-ligand synthetic strategy under a solvothermal environment, and studied by single-crystal X-ray diffraction. Complex 1 crystallizes in the ortho-rhom-bic space group Pbca and features a two-dimensional structure formed by a binuclear Zn2O4 core. Complex 2, however, crystallizes in the monoclinic space group P21/c and forms a one-dimensional chain structure. The ZnII and CdII ions have different coordination numbers and the 3-(1H-benzoimidazol-2-yl)propano-ate ligands display different coordination modes. The structures reported here show the importance of the selection of metal ions and suitable ligands.

| S-EPMC5778479 | biostudies-literature

Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand.

Project description:The design of inexpensive and less toxic porous coordination polymers (PCPs) that show selective adsorption or high adsorption capacity is a critical issue in research on applicable porous materials. Although use of Group II magnesium(II) and calcium(II) ions as building blocks could provide cheaper materials and lead to enhanced biocompatibility, examples of magnesium(II) and calcium(II) PCPs are extremely limited compared with commonly used transition metal ones, because neutral bridging ligands have not been available for magnesium(II) and calcium(II) ions. Here we report a rationally designed neutral and charge-polarized bridging ligand as a new partner for magnesium(II) and calcium(II) ions. The three-dimensional magnesium(II) and calcium(II) PCPs synthesized using such a neutral ligand are stable and show selective adsorption and separation of carbon dioxide over methane at ambient temperature. This synthetic approach allows the structural diversification of Group II magnesium(II) and calcium(II) PCPs.

| S-EPMC4309420 | biostudies-literature

Pyrene Carboxylate Ligand Based Coordination Polymers for Microwave-Assisted Solvent-Free Cyanosilylation of Aldehydes.

Project description:The new coordination polymers (CPs) [Zn(μ-1κO1:1κO2-L)(H2O)2]n·n(H2O) (1) and [Cd(μ4-1κO1O2:2κN:3,4κO3-L)(H2O)]n·n(H2O) (2) are reported, being prepared by the solvothermal reactions of 5-{(pyren-4-ylmethyl)amino}isophthalic acid (H2L) with Zn(NO3)2.6H2O or Cd(NO3)2.4H2O, respectively. They were synthesized in a basic ethanolic medium or a DMF:H2O mixture, respectively. These compounds were characterized by single-crystal X-ray diffraction, FTIR spectroscopy, thermogravimetric and elemental analysis. The single-crystal X-ray diffraction analysis revealed that compound 1 is a one dimensional linear coordination polymer, whereas 2 presents a two dimensional network. In both compounds, the coordinating ligand (L2-) is twisted due to the rotation of the pyrene ring around the CH2-NH bond. In compound 1, the Zn(II) metal ion has a tetrahedral geometry, whereas, in 2, the dinuclear [Cd2(COO)2] moiety acts as a secondary building unit and the Cd(II) ion possesses a distorted octahedral geometry. Recently, several CPs have been explored for the cyanosilylation reaction under conventional conditions, but microwave-assisted cyanosilylation of aldehydes catalyzed by CPs has not yet been well studied. Thus, we have tested the solvent-free microwave-assisted cyanosilylation reactions of different aldehydes, with trimethylsilyl cyanide, using our synthesized compounds, which behave as highly active heterogeneous catalysts. The coordination polymer 1 is more effective than 2, conceivably due to the higher Lewis acidity of the Zn(II) than the Cd(II) center and to a higher accessibility of the metal centers in the former framework. We have also checked the heterogeneity and recyclability of these coordination polymers, showing that they remain active at least after four recyclings.

| S-EPMC7922377 | biostudies-literature

Two Lanthanide Metal?Organic Frameworks Based on Semi-Rigid T-Shaped Tricarboxylate Ligand: Syntheses, Structures, and Properties.

Project description:By using a semi-rigid tripodal ligand 5-(4-carboxybenzyloxy)isophthalic acid (H3L) and lanthanide metal ions (Nd3+, Tb3+), two novel lanthanide metal-organic frameworks, namely, {[Nd2L2(DMF)4] DMF}n (1), and {TbL(DMF)(H2O)}n (2), were synthesized under mild solvothermal conditions and structurally characterized by X-ray single crystal diffraction. Compounds 1 and 2 are isostructural, in which L3- ligands linked dinuclear lanthanide metal-carboxylate units to form non-interpenetrated 3D network with (3,6)-connected topology. Luminescent investigations reveal that compound 1 displays the near-infrared emission at room temperature, and compound 2 can be employed as selective probe for Cr2O72- anion in aqueous solution based on luminescence quenching. Moreover, compound 2 exhibits catalytic activity for cyclo-addition of CO2 and epoxides under relatively mild conditions.

| S-EPMC6572171 | biostudies-literature

Expression data from fracture hematoma tissue of young and old rats after 3days of rigid or semi-rigid fixation of an osteotomy

Project description:The long-term healing outcome of bone regeneration is known to depend not only on mechanical stability, but also on age and, more importantly, on the overlap of both parameters. Although especially the early healing period determines the healing outcome, it so far remains unclear which factor - mechanical loading or age - dominates this phase and how these factors interact on the molecular level in the early fracture hematoma. We used microarrays to detail the global programme of gene expression underlying the influence of fixation stability in young and old rats and identified distinct classes of regulated genes during this process.

2014-12-31 | GSE53256 | GEO

Diverse Lanthanide Coordination Polymers with 3,3'-Dimethylcyclopropane-1,2-dicarboxylate Ligand: Synthesis, Crystal Structure, and Properties.

Project description:In an attempt to investigate the influence of many variables on the synthesis of lanthanide coordination polymers (Ln-CPs) assembled from the ligand 3,3-dimethylcyclopropane-1,2-dicarboxylic acid, three different Ln-CPs with formulae [La9(μ4-dcd)12(μ3-O)2(H)] n (1), [Gd4(μ4-dcd)6(H2O)] n (2), and [Gd2(μ3-OH)2(μ3-dcd)(μ2-ac)2(H2O)] n (3) (dcd = 3,3-dimethylcyclopropane-1,2-dicarboxylate, ac = acetate) have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, thermal analysis, powder X-ray diffraction, and single X-ray diffraction techniques. 1 represents the first report of the three-dimensional (3D) Ln-CPs based on nonanuclear lanthanide clusters, although it shows extremely low gas uptakes. 2 exhibits one of the previously reported 3D lanthanide wheel cluster-like frameworks. 3 characterizes a novel one-dimensional ladder-like chain [Gd4(OH)4] n decorated with mixed ligand ribbons. Variable-temperature magnetic susceptibility measurement reveals that the shortest Gd···Gd distance in 3 induces the antiferromagnetic interactions between adjacent Gd3+ cations within the hydroxyl-bridged binuclear unit. Remarkably, magnetic investigation for 2 indicates a unique metamagnetic transition from the antiferromagnet to ferromagnet. Furthermore, magnetic studies for 2 also exhibit the presence of significant magnetocaloric effect with a large magnetic entropy change.

| S-EPMC6644930 | biostudies-literature

Mg(II) Coordination Polymers Based on Flexible Isomeric Tetracarboxylate Ligands: Syntheses, Structures, Structural Transformation and Luminescent Properties.

Project description:By using a new flexible tetracarboxylic acid, bis(3,5-dicarboxyphenyl) adipoamide, H₄L¹, and its isomer, bis(2,5-dicarboxyphenyl)adipoamide, H₄L², three Mg(II) coordination polymers, {[Mg₂(L¹)(H₂O)₂]·2EtOH·3H₂O}n, 1, [Mg₂(L¹)(H₂O)₈]n, 2, and {[Mg₂(L²)(H₂O)₆]·H₂O}n, 3, have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. Complexes 1 and 2 are the solvent ratio-dependent hydrothermally stable products. The tetracarboxylate ligand of complex 1 connects eight Mg(II) ions through nine oxygen atoms, resulting in a three-dimensional (3D) 5-connected uninodal net with a rare non-interpenetrating (4⁴.6⁶)-pcu-5-Pmna topology, whereas those of 2 and 3 link four Mg(II) ions through four oxygen atoms and six Mg(II) ions through six oxygen atoms, forming a 1D linear chain and a 3,6-connected 2-nodal 3D net having {4.6²}₂{4².610.8³}-rtl topology, respectively. Complex 1 shows a series of structural transformations on heating to 200 °C and almost reversible structural transformation when the activated products were immersed in a mixture of ethanol and water or on hydrothermal. Likewise, complex 2 exhibits a reversible structural transformation on heating/hydrothermal, while 3 exhibits irreversible structural transformations. All three complexes exhibit blue light emissions, with that of complex 3 being much more intense.

| S-EPMC6415218 | biostudies-literature