An unusual 3D polycatenane motif generated by the 2D -> 2D parallel -> 3D parallel interpenetration of (4,4) sheets

A fascinating 3D polycatenane-like metal-organic framework with two kinds of helical chains was reported, in which the helical chains exhibit multiple interweaving modes based on the unusual 2D -> 2D parallel -> 3D parallel interpenetration.

3D Fe3S4 flower-like microspheres: high-yield synthesis via a biomolecule-assisted solution approach, their electrical, magnetic and electrochemical hydrogen storage properties

Well-defined 3D Fe3S4 flower-like microspheres were synthesized via a simple biomolecule-assisted hydrothermal process for the first time. On the basis of a series of contrast experiments, the probable growth mechanism and fabrication process of the products were proposed. The electrical conductivity property of the as-synthesized Fe3S4 sample exhibited a rectifying characteristic when a forward bias was applied for the bottom-contacted device. The magnetic properties of the products were studied as well and the results demonstrated that the products presented ferromagnetic properties related to the corresponding microstructure. In addition, we first verified that the Fe3S4 flower-like microspheres could store hydrogen electrochemically, and a discharge capacity of 214 mA h g(-1) was measured without any activation under normal atmospheric conditions at room temperature.

Magnesium-Based 3D Metal-Organic Framework Exhibiting Hydrogen-Sorption Hysteresis

A new magnesium metal-organic framework (MOF) based on an asymmetrical ligand, biphenyl-3,4',5-tricarboxylate (H3PT) has been synthesized and structurally characterized. MOF Mg-3(BPT)(2)(H2O)(4) (1) consists of 10 hexagonal nanotube-like channels and exhibits pronounced hydrogen-sorption hysteresis at medium pressure.

Interweaving of single-helical and equal double-helical chains with the same helical axis in a 3D metal-organic framework

A novel metal-organic framework with unprecedented interweaving of coaxial single-helical and equal double-helical chains of opposite chirality, which features a super-connective helix simultaneously tangling with eight helices, was reported.

Synthesis and Crystal Structure of a New 3D Copper B-Paradodecatungstate Compound: [Na-2(H2O)(8)][Na-8(H2O)(20)][Cu(en)(2)][W12O42] center dot 3H(2)O

A new polyoxotungstate complex [Na-2(H2O)(8)][Na-8(H2O)(20)][Cu(en)(2)][W12O42] center dot 3 H2O (1) (en = ethylenediamine) has been synthesized in aqueous solution and characterized by elemental analysis, IR spectroscopy and TG analysis, together with a single crystal X-ray diffraction study. In compound 1, the Cu(en)(2)(2+) complex cation links the [W12O42](12-) anions to form a I D chain, and the ID chains are further interconnected with Na-8(H2O)(20)(8+) and Na-2(H2O)(8)(2+) cations to construct a new 3D framework.

3D metal-organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene

Water-soluble tetra-p-sulfonatocalix[4]arene, acting as a four-connected node, bridges the rare earth cations into a 3D porous MOF in which 1D smaller circular hydrophilic channels and larger quadratic ones are lined up along the c axis and interconnected to each other by the calixarene cavities and other interstices.

Self-assembled 3D flowerlike Lu2O3 and Lu2O3 : Ln(3+) (Ln = Eu, Tb, Dy, Pr, Sm, Er, Ho, Tm) microarchitectures: Ethylene glycol-mediated hydrothermal synthesis and luminescent properties

Three-dimensional flowerlike Lu2O3 and Lu2O3:Ln(3+) (Ln = Eu, Th, Dy, Pr, Sm, Er, Ho, Tm) microarchitectures have been successfully synthesized via ethylene glycol (EG)-mediated hydrothermal method followed by a subsequent heat treatment process. X-ray diffraction, Fourier transform infrared spectroscopy, energy-dispersive X-ray spectra, thermogravimetric and differential thermal analysis, elemental analysis, inductively coupled plasma atomic absorption spectrometric analysis, ion chromatogram analysis, X-ray photoelectron spectra, scanning electron microscopy, transmission electron microscopy, photoluminescence spectra as well kinetic decays, and cathodoluminescence spectra were used to characterize the samples. Hydrothermal temperature, EG, and CH3COONa play critical roles in the formation of the lutetium oxide precursor microflowers. The reaction mechanism and the self-assembly evolution process have been proposed. The as-formed lutetium oxide precursor could transform to Lu2O3 With their original flowerlike morphology and slight shrinkage in the size after postannealing process.

Hydrothermal synthesis, crystal structure and electrochemical properties of a novel 3D Dawson-type polyoxometalate supramolecular network

A novel Dawson-type polyoxometalate supramolecular architecture of the formula [4,4'-H(2)bipy](2.5)center dot[4,4'-Hbipy]center dot[P2W18O62]center dot 6.25H(2)O (4,4'-bipy = 4,4'-bipyridine) has been hydrothermally synthesised and characterised by means of elemental analysis, IR, CV and X-ray single-crystal diffraction. X-ray crystallography indicates that the title compound consists of Dawson-type polyoxoaions [P2W18O62](6-), water molecules and 4,4'-bipy units. The polyoxoanion clusters together with 4,4'-bipy units and water molecules to construct the three-dimensional supramolecular network through hydrogen bonds. The crystal structure analyses reveal that water molecules and 4,4'-bipy units play the important role on the packing arrangements of crystals. Cyclic voltammetry shows that the title compound exhibits three chemically reversible steps

3D 异金属Bi(III)-Pr(III)配位聚合物的合成、晶体结构和热稳定性

在水溶液中合成了双金属配位聚合物({[(NO3)(H2O)3Pr(μ4-Hedta)Bi-(NO3)2].2H2O}2)n,并通过元素分析、红外光谱和X射线单晶衍射等手段进行了表征.该配合物为单斜晶系,P2(1)/n空间群,a=1.26831(18)nm,b=0.82189(12)nm,c=2.3755(3)nm,β=105.055(2)°,R=0.0429,V=2.3913(6)nm3,Z=4.Bi(Ⅲ)-Pr(Ⅲ)间通过配阴离子Hedta3-中4个羧基的桥联作用构建配合物的3D结构.TG-DSC结果表明,该配合物热分解经历脱水、配体分解以及盐分解过程,残余物为Bi-Pr-O的三元复合氧化物.

Synergetic Effect of Efficient Energy Transfer and 3D pi-pi Stack for White Emission Based on the Block Copolymers Containing Nonconjugated Spacer

A series of block copolymers containing nonconjugated spacer and 3D pi-pi stacking structure with simultaneous blue-, green-, and yellow-emitting units has been synthesized and characterized. The dependence of the energy transfer and electroluminescence (EL) properties of these block copolymers on the contents of oligo(phenylenevinylene)s has been investigated. The block copolymer (GEO8-BEO-YEO4) with 98.8% blue-emitting oligomer (BEO), 0.8% green-emitting oligomer (GEO), and 0.4% yellow-emitting oligomer (YEO) showed the best electroluminescent performance, exhibiting a maximum luminance of 2309 cd/m(2) and efficiency of 0.34 cd/A. The single-layer-polymer light-emitting diodes device based on GEO2-BEO-YEO4 emitted greenish white light with the CIE coordinates of (0.26, 0.37) at 10 V. The synergetic effect of the efficient energy transfer and 3D pi-pi stack of these block copolymers on the photoiuminescent and electroluminescent properties are investigated.

Quantifying intrinsic specificity: A potential complement to affinity in drug screening

We report here the investigation of a novel description of specificity in protein-ligand binding based on energy landscape theory. We define a new term, intrinsic specificity ratio (ISR), which describes the level of discrimination in binding free energies of the native basin for a protein-ligand complex from the weaker binding states of the same ligand. We discuss the relationship between the intrinsic specificity we defined here and the conventional definition of specificity. In a docking study of molecules with the enzyme COX-2, we demonstrate a statistical correspondence between ISR value and geometrical shapes of the small molecules binding to COX-2. We further observe that the known selective (nonselective) inhibitors of COX-2 have higher (lower) ISR values. We suggest that intrinsic specificity ratio may be a useful new criterion and a complement to affinity in drug screening and in searching for potential drug lead compounds.

Templateless, surfactantless, simple electrochemical route to rapid synthesis of diameter-controlled 3D flowerlike gold microstructure with "clean" surface

We report for the first time a simple low-cost electrochemical route to synthesis of diameter-controlled hierarchical flowerlike gold microstructures with "clean'' surfaces using gold nanoplates or nanopricks as building blocks without introducing any template or surfactant.

SBS as template to synthesize 3D siliceous mesostructured cellular foams

A mesostructured cellular foam (MCF) with three-dimensional (313) disordered strutlike structure is prepared by using triblock copolymer (poly(styrene-b-butadiene-b-styrene), SBS, M-W = 140K) as template under strong acid conditions. It is the first report to use triblock copolymer with both hydrophobic head and tail groups instead of hydrophilic head and hydrophobic tail copolymers to synthesize siliceous mesostructured cellular foams. The resulted materials have high pore volume (0.92 cm(3)/g) and relatively narrow pore size distributions with a large pore size of 7.9 nm, which will allow for the fixation of large active complexes, reduce diffusional restriction of reactants and enable reactions involving bulky molecules to take place, especially.

Electronic structures of 3d-metal mononitrides

Bond distances, vibrational frequencies, electron affinities, ionization potentials, and dissociation energies of the title molecules in neutral, positively, and negatively charged ions were studied by use of density functional methods B3LYP, BLYP, BHLYP, BPW91, and B3PW91. The calculated results are compared with experiments and previous theoretical studies. It was found that the calculated properties are highly dependent on the functionals employed, in particular for the dissociation energy and vibrational frequency. For neutral species, pure density functional methods BLYP and BPW91 have relatively good performance in reproducing the experimental bond distance and vibrational frequency. For cations, hybrid exchange functional methods B3LYP and B3PW91 are good in predicting the dissociation energy. For both neutral and charged species, BHLYP tends to give smaller dissociation energy.