We determined the time-averaged and space-averaged structures of supersaturated aqueous sodiumpentaborate solutions by rapid liquid X-ray diffractometry at 298 and 323 K. Difference radial distribution functions (DRDF) and their theoretical partial r...

H-atom abstraction and H₂O production channels for the reaction of O^- with CH₃F were reinvestigated using the ab initio molecular dynamics method at the B3LYP/6-31₊G(d,p) level of theory and based on the Born-Oppenheimer approximation. The reactive t...

Platinum-selenium and platinum hollow nanospheres (denoted as (Pt-Se)_HN and Pt_HN, respectively) with different coverages of Se (θ_Se) (θ_Se=0.49, 0.39, 0.06, 0) were prepared using amorphous Se colloids as a sacrificial template. Sulfite was used to co...

WO₃ films were prepared using ammonium metatungstate as the precursor and polyethylene glycol 1000 as the structure-directing agent by the polymeric precursor method. The obtained materials were characterized by means of X-ray diffraction (XRD), scan...

A TiO₂ film was synthesized on the surface of a Ti substrate by a hydrothermal method, followed by acid treatment and calcination. The properties of the TiO₂ film were characterized by scanning electron microscopy, X-ray diffraction, and ultraviolet-...

The long-term effects of four kinds of amine-alcohol based inhibitors on the corrosion behavior of steel rebar inside mortar specimens immersed in saturated NaCl solution were studied by electrochemical impendence spectroscopy (EIS), half cell corros...

Electrochemical methods including polarization curves, linear polarization resistance (LPR), and electrochemical impedance spectroscopy (EIS) were used to characterize and investigate the electrochemical behavior of rusted carbon steel immersed in se...

We studied the anodic potential, corrosion rate, and anodic passive layer of a flat plate Pb-Ag (0.8% (mass fraction, w) anode over a long period of polarization under different current densities. Additionally, the cathode current efficiency and qual...

Ni, Ni-Fe, and Ni-Fe-C alloy electrodes were prepared by electrodeposition. Polarization curves showed that the Ni-Fe-C alloy electrode shows the best electrocatalytic activity for the hydrogen evolution reaction (HER) in a simulated seawater solutio...

N-ferrocenoyl-labeled tripeptide Fc-Gly-Pro-Arg(NO₂)-OMe(Fc-GPR) was synthesized from ferrocene-carboxylic acid, glycine (H-Gly-OMe), proline (Boc-Pro-OH) and arginine (H-Arg(NO₂)-OMe) by solution synthesis with a yield of 48.1%. The synthesized Fc-G...

We prepared nanosized hydroxide magnesium (Mg(OH)₂) as a plasticizer and a flame-retarding additive for a poly(ethylene-oxide) (PEO) based polymer electrolyte. We characterized the prepared compound using transition electron microscopy (TEM), X-ray d...

The initial stages of the anodization of aluminum are influential during the preparation of anodic aluminum oxide nanotemplates and provide an insight into their formation mechanism. The formation and development of both the barrier layer and the por...

Changes in phase structure, hydrogen storage and electrochemical properties of the (Ti Cr)_0.497V_0.42Fe_0.083+ 30% (w) (LaRMg)(NiCoAl)_3.5 alloy after treatment by ball-milling for different time (t=0, 0.5, 1, 3, 5, 10 h) were investigated systematicall...

The electrochemical properties of three carbon-based electrodes including boron-doped nanocrystalline diamond (BDND), boron-doped microcrystalline diamond (BDMD), and glassy carbon (GC) were compared. We used scanning electron microscopy to character...

A novel energetic coordination complex of [Mn(AZT)₂(H₂O)₄] (HTNR)₂·4H₂O (AZT=3-azido-1,2,4- triazole, HTNR=2,4,6-trinitro resorcinol) was prepared by the reaction between the acidic manganese (II) salt of 2,4,6-trinitro resorcinol and AZT in an aqueo...

We prepared V₂O₅ /CeO₂ catalysts with different V₂O₅ loadings (5% and 15%) by incipient wetness impregnation. Raman spectroscopy (514 and 325 nmexcitation laser lines), X-ray diffraction (XRD), UV-visible diffuse reflectance spectroscopy (UV-Vis DRS)...

A porous and hydroxyl group-rich catalyst RuB/SiO₂·xH₂O was prepared by hydrolyzing ethyl silicate, protecting SiO₂·xH₂O with polyvinyl pyrrolidone (PVP), and etching SiO₂·xH₂O with NaOH. The catalyst was characterized by X-ray diffraction (XRD), X-r...

We added modified sepiolite to a polypropylene (PP)/ammoniumpolyphosphate (APP)/di-pentaerythritol (DPER) composite to study the effect of sepiolite on the retarding behavior of the intumescent flame retardant (IFR) PP flame. The flame retarding beha...

Hexa nal mesoporous silica (HMS) was synthesized using dodecylamine (DDA) or octadecylamine (ODA) as templates which were then removed by calcination or extraction. Characterization data of HMS from XRD and N₂ adsorption-desorption proved that the op...

Metal-doped xerogels were synthesized by the sol-gel method and their catalytic performance was evaluated for the catalytic ozonation of simulated micro-polluted water containing ortho-dichlorobenzene (o-DCB). The obtained samples were characterized ...

MnO_x-CeO₂/WO₃/ZrO₂-TiO₂monolithic catalyst was prepared by ZrO₂-TiO₂ as support, MnO_x-CeO₂ as active components and WO₃ as the promoter. The influence of the different mass fractions (w) of WO₃ on the NH₃-selective catalytic reduction (NH₃-SCR) of NO_...

Many microorganisms can adsorb metal ions strongly and even reduce them to their metal states. We studied the adsorption of ld nanoparticles on Escherichia coil (DH5α) to form Au@DH5α. Titanium tetrabutoxide was added to Au@DH5αto prepare Au@DH5α-Ti...

We prepared a TiO₂-Al₂O₃ complex support by the sol-gel method. A nickel phosphide catalyst, Ni₂P/ TiO₂-Al₂O₃, was prepared by the impregnation method. The catalysts were characterized by X-ray diffraction (XRD), N₂-adsorption specific surface area m...

The colors of Au nanoparticles (Au NPs) change along with conformational changes in cytochrome c (Cyt c). We exploited this property for the colorimetric detection of Cyt c conformational changes induced by H⁺ and L-cysteine (L-Cys). We improved the ...

We studied the effects of salts on the microstructure of liquid methanol using the Raman spectra. We compared the excess Raman spectra of different methanolic salt solutions in the O—H and C—O stretching regions. These regions reflect the interaction...

The quenching reactions of triplet thioxanthone (TX) by a series of amines, phenols, and alcohols were investigated by laser flash photolysis in deoxygenated acetonitrile. We obtained corresponding transient absorption spectra and quenching rate cons...

The influence of pyrite irradiated by γradiation from ⁶⁰Co on the reductive environment of groundwater was investigated. The dose rate was 200 Gy·min^-1 and the total absorbed dose was 5×10⁶ Gy. Our results indicate that the radiolysis reactions of th...

A quantitative structure-property relationship (QSPR) study on the solubility of 84 organic compounds in 4 different ionic liquids was done based on VolSurf parameters using the partial least square (PLS) statistical method and od results were obtai...

The adsorption properties of linear C₂-C₅ olefins on HY and H-ZSM-5 zeolites were studied by the ONIOM(B3LYP/6-311++G(d,p):UFF)method. The results indicate that microcosmic interactions of the olefin molecules with the Br?nsted acid sites of the zeol...

The growth pattern and magnetic properties of the Ge_nEu (n=1-13) clusters have been investigated using the density functional theory within the generalized gradient approximation. For all the ground state structures of the Ge_nEu (n=1-13) clusters, Eu...

Benzanthrone derivatives show great potential for use as new luminescent, nonlinear optical, and liquid crystalline materials. The geometries of the ground and the first excited states of 3-pyrrolidinobenzanthrone were optimized using quantum chemist...

Orbital electron momentum spectroscopies for saturated alkanes C_nH_2n+2(n=4-6) were systematically studied using the B3LYP/TZVP//B3LYP/aug-cc-pVTZ model. The effect of saturated alkanes C_nH_2n+2(n=4-6) isomers on orbital momentum distributions was anal...

To improve the carrier-injection of polyfluorene, oli mers of polyfluorene, fluorene-bipyridine, and fluorene-phenanthrolin copolymers were theoretically studied for their geometries, electronic structures, excitation energies, and reorganization ene...

A number of density functional theory (DFT) methods were compared for the calculation of N—O bond dissociation enthalpies (BDEs) with the experimental values on the basis of the high-precision calculation methods G3 and G3B3. We found that the B3P86 ...

Density functional theory (DFT) and quadratic configuration interaction with single and double excitations (QCISD) methods were used to investigate the geometries of the triplet silylenoid HB=SiLiF as well as its insertion reactions with RH (R=F, OH,...

Some natural products from traditional Chinese medicine (TCM) such as flavones and resveratrol have been reported to have thromboxane A2 receptor (TP) inhibiting activity.We investigated a possible inhibition mechanism by a homology model of TP, whic...

Cu₇S₄ nanotubes were synthesized using a biomolecule DL-methionine-assisted hydrothermal method. The morphology and phase of the products can be controlled by adjusting the reaction parameters such as synthesis temperature, reaction time and the mola...

One-dimensional (1D) aligned ZnO nanowire arrays with different morphologies were synthesized by a solution-phase method. The morphology and microstructure of the products were characterized by X-ray diffraction (XRD), scanning electron microscopy (S...

Hollowspherical ammoniummetatungstate (AMT), as a precursor, was prepared by an ultrasonic method. Tungsten carbide (WC) was prepared by a gas-solid reaction in an atmosphere of CO/H₂ at 700-900^oC. Microspheres were fractured by ultrasonic dispersion...

Well-aligned ZnO/CdS composite nanorod array film was grown on an indium tin oxide (ITO) substrate by two-step chemical solution deposition method. The effects of CdS deposition time on the crystal structure, morphology, and photoelectric performance...

Chitosan (CS) nanosphere loaded aspirin (aspirin/CS) was prepared by nucleation and ionic crosslinking in an emulsion used for medical and pharmaceutical applications. Chemical component, morphology, size distribution, and crystal structure of nanosp...