Fluorescence and sensitization performance of phenylene-vinylene-substituted polythiophene

A new kind of polythiophene derivative, Poly(3-{2-[4-(2-ethylhexyloxy)-phenyl]-vinyl}-2,2′-bithiophene) (PTh), was applied in dye-sensitized solar cell to extend the light response of nanocrystalline TiO2 electrode. UV-vis absorption and fluorescence spectra were employed to investigate the interaction of PTh with nanocrystalline TiO2. The absorption coefficient of the PTh was high in visible part of spec- trum, and the fluorescence emission of the PTh can be efficiently quenched by TiO2 nanoparticles ow- i...     

Influence of O2/Ar ratio on the properties of transparent conductive niobium-doped ZnO films

Niobium-doped ZnO transparent conductive films are deposited on glass substrates by radio frequency sputtering at 300℃. The influence of O2/Ar ratio on the structural, electrical and optical properties of the as-deposited films is investigated by X-ray diffraction, Hall measurement and optical transmission spectroscopy. The lowest resistivity of 4.0×10^-4Ω· cm is obtained from the film deposited at the O2/Ar ratio of 1/12. The average optical transmittance of the films is over 90%.     

The uptake of ethyl iodide on black carbon surface

The importance of the iodine chemistry in the atmosphere has been demonstrated by recent obserations. The uptake of ethyl iodine on black carbon surface was inestigated at 298 K for the first time. Degussa FW2 （an amorphous black carbon comprising medium oxides） was used as black carbon sample. Black carbon surface was found to be deactiated in reaction with C2H51, and the uptake coefficient （r） was dependent on the time of exposure. The alue of （2.3±0.9）×10^-2 was determined for the initial uptake coefficient （No）. The result suggests that the heterogeneous loss of C2H51 on carbonaceous aerosols may be important under the atmospheric conditions.     

Decoration of C60 nanorods with nickel and their magnetic properties

We studied the coating of C60 nanorods with nickel by electroless plating method and investigated their magnetic properties. The morphology and structure of the nickel layer coated on C60 nanorods were characterized by transmission electron microscopy （TEM）, energy-dispersive X-ray spectroscopy （EDX）, X-ray diffraction （XRD） and Raman spectroscopy. The coated nickel is in the form of nano-sized crystals and becomes a continuous layer as reaction time increases. The hysteresis loop shows a super paramagnetic characteristic similar to that of nanometer-sized nickel particle. These results suggest that the average size of nickel particles on C60 rods is below 10 nm. Our study has shown that electroless plating is an efficient and simple method for coating C60 nanorods with nickel.     

Synthesis and characterization of nano/micro-structured crystalline germanium dioxide with novel morphology

Nano/micro-structured germanium oxide （GeO2） was prepared using GeCl4 and KOH by a simple solution method in alkalic alcoholic solution. Different morphologies of GeO2 were obtained by changing the reaction conditions. The effects of the reaction time, the concentration of the reactants, the reaction temperature and the dispersant upon the morphology of the deposited GeO2 have been investigated. The products were detected by X-ray diffraction （XRD）, atomic force microscope （AFM）, scanning electron microscope （SEM） and transmission electron microscope （TEM）. Novel cross-like structures were obtained by using n-butylamine as the dispersant. The formation of the cross-like structures has been discussed and a solution-liquid-solid （SLS） mechanism was proposed.     

Styrene polymerization catalyzed by nickel complexes bearing hydroxyindanone-iminate ligands

Activated by methylaluminoxane, mononuclear bis（hydroxyindanone-iminate）nickel complexes Ni[ArN=CC2H3（CH3）C6H2（R）O]2 （Ar = 2,6-i-Pr2C6H3, R=Me（1）, R=CI（2）, and R=H（3）） showed good activity for the styrene polymerization. The effect of many reaction parameters including the AI/Ni ratio, temperature, and reaction time on catalytic activities of catalytic systems and the molecular weights of the obrained polystyrene was ascertained. The highest activity of 1.34×10^5g（PS）·mol^-1（Ni）·h^-1 was obtained under the optimum reaction condition. The ^13C NMR spectra of the polymers revealed that the polymer was isotactic-rich atactic polystyrene. And the coordination mechanism was confirmed by the analyses of the polymer chain end-groups.     

Investigation on the key factors in the hydrothermal synthesis of BN： The way of introducing sodium azide

The way of introducing sodium azide (NaN_3) into the reaction solution played an important role in the preparation of cBN by hydrothermal synthesis method. The results showed that both cBN content and crystalline perfection of the samples improved with increasing R_N value, and pure cBN could be obtained at 300℃ and 10 MPa when R_N increased to 3:1. Here R_N is defined as R_N =NaN_3(I)/NaN_3(II), wherNaN_3(I) denotes the amount of NaN_3 (in molar) that is added into the autoclave at the beginning of threaction process, and NaN_3(II) is the amount of NaN_3 (also in molar) introduced into the autoclave ahigh temperature and high pressure (i.e. 300℃ and 10 MPa). In order to explain the experimental results, a preliminary model was proposed in this paper.     

Combining docking and comparative molecular similarity indices analysis （COMSIA） to predict estrogen activity and probe molecular mechanisms of estrogen activity for estrogen compounds

Estrogen compounds are suspected of disrupting endocrine functions by mimicking natural hormones, and such compounds may pose a serious threat to the health of humans and wildlife. Close attention has been paid to the prediction and molecular mechanisms of estrogen activity for estrogen com- pounds. In this article, estrogen receptor a subtype （ERa） -based comparative molecular similarity indices analysis （COMSIA） was performed on 44 estrogen compounds with structural diversity to find out the structural relationship with the activity and to predict the activity. The model with the significant correlation and the best predictive power （R^2= 0.965, Q^2 LOO： 0.599, R^2 pred ： 0.825） was achieved. The COMSIA and docking results revealed the structural features for estrogen activity and key amino acid residues in binding pocket, and provided an insight into the interaction between the ligands and these amino acid residues.     

Structural dependences of the <Emphasis Type="Italic">η</Emphasis><Superscript>6</Superscript> complexes of 3-amino-9-ethylcarbazole with chromium tricarbonyl fragment on third-order optical nonlinearities

Degenerate four-wave mixing measurements, using the 35 ps pulses at 532 nm, have been employed to investigate the third-order nonlinear optical parameters of two chromium tricarbonyl complexes η6-bonded to 3-amino-9-ethylcarbazole at either the NH2-substituted aryl ring （1） or the unsubstituted ring （2） and their precursor 3-amino-9-ethylcarbazole （AECz）. The second-order hyperpolarizability y of the compounds 1 and 2 were found to be 42.9×10^-31 and 35.9×10^-31 esu, respectively, approximately one order of magnitude greater than AECz. The relation between the molecular structure and second-order hyperpolarizability of the compounds I and 2 was explored in detail based on the three-level model and the density functional theory （DFT） calculation. The theoretical results indicate that the spatial distribution of electron density has the profound role in the third-order nonlinear optical properties.     

Relaxor behavior of (1-x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 ceramics

n the present work, the phase transitions and relaxor behavior of (1−x)Pb(Mg_1/3Nb_2/3)O₃-xPbTiO₃ (PMN-PT, x = 0.2―0.4) ferroelectric ceramics have been investigated by means of X-ray diffraction, di-electric spectroscopy, the P-E hysteresis loop measurements and Raman scattering techniques. Structural analysis revealed that with the increase of PbTiO₃ content, PMN-PT ceramics experienced a gradual phase transition process from rhombohedral to tetragonal. It is usually believed that such kinds of phase transitions resulted in the linear decrease of relaxation degree. Surprisingly, our analy-sis of the dielectric spectra revealed that the indicator of the degree of diffuseness γ reached the maximum value near morphotropic phase boundary (MPB) (x = 0.32), then decreased with the further increase of PbTiO₃ content. The large dielectric relaxor feature near MPB may be attributed to the for-mation of ordered nanodomains, resulting from complex coexisting nanostructures. Further, the P-E hysteresis loop measurements and Raman analysis of the B-site cation order correlated well with the dielectric measurement results. It was found that the hysteresis loop squareness R_sq received the minimum value while the inverse of the value of full wide of half maximum (FWHM) of A_1g mode reached the maximum value at MPB composition, which showed similar trends to γ.     

Fabrication of the 19-filament Fe/Cu clad MgB2 wire via in situ powder-in-tube method

Using commercial amorphous B powder (92% in purity) and Mg powder (99% in purity) as starting materials, 19-filament Fe/Cu clad MgB2 wires were fabricated by an in situ powder-in-tube method. Heat treatment was performed at 700℃ for 1 h under an argon gas atmosphere. The influence of Mg/B ratio on the microstructure and superconducting properties of the wires was investigated. It was found that the major phases of MgB2 wires were MgB2 accompanied with relatively small amounts of MgO and Fe2B impurities. With 5% excess Mg addition, the onset TC slightly decreased. However, the transport JC at 4.2 K and 4 T reached 1.07×104 A·cm-2, increasing by a factor of 1.4 compared to the stoichiometric sample. Moreover, the Mg1.05B2 sample showed an improved field dependence of JC, suggesting that less voids and smaller grain size of the Mg1.05B2 core lead to better grain connectivity and stronger flux pinning.     

Double-side fabrication process and millimeter wave response of intrinsic Josephson junctions

We adopted double-side fabrication process to prepare intrinsic Josephson junctions (IJJs) based on Bi₂Sr₂CaCu2O_8+x (BSCCO) single crystals. Using crystal cleavage and double-side argon ion milling, we have successfully fabricated very uniform IJJs with the thickness of single crystal slice less than 200 nm. Using quasi-optical system, the response of the IJJs to millimeter wave radiation was studied. With applied magnetic field perpendicular to a-b plane, we have observed Shapiro steps under millimeter wave radiation, and the Josephson oscillation of each junction was phase-locking. Supported by the National Natural Science Foundation of China (Grant Nos. 60571007, 10778602, 60721063, 60610050), National Basic Research Program of China (Grant No. 2006CB601006) and the Fund of Jiangsu Province (Grant No. BK2007713)     

An in-situ DRIFTS study in the reaction between NO x and soot on BaAl2O4

The interactions between NO, O2 and their mixture on BaAl2O4, as well as the reaction of NOx with soot in the presence of O2, have been investigated using Diffuse Reflectance Infrared Fourier Transform Spectroscopy （DRIFTS）. NO adsorption produces only nitrites species in the absence of O2. NO2 adsorption produces nitrates species besides nitrites species. The produced nitrites will further react with O2, Osurf^-. and Olattice^2- to form nitrates. The reaction of NOx with soot begins with the reaction of nitrates with soot oxygenated complex （C（O））, which is regarded as the key and rate determining step. A reaction pathway is proposed for the catalyzed reaction of NOx with soot in the presence of O2.     

Harmonic hexagonal superlattice pattern in a dielectric barrier discharge at atmospheric pressure

We report a harmonic hexagonal superlattice pattern in a dielectric barrier discharge in air/argon mixture at atmospheric pressure. The bifurcation scenario of harmonic hexagonal superlattice pattern with the applied voltage increasing is given. The phase diagram of the pattern types as a function of the applied voltage and the air-concentration is obtained. The hysteresis of pattern transitions at the upward and downward stage of the applied voltage is observed. The correlation measurements indicate that harmonic hexagonal superlattice pattern is an interleaving of two different transient sublattices. The spatial power spectrum demonstrates that harmonic hexagonal superlattice pattern has two separate wave vectors. Both small wave vector qh and big wave vector Kh, belong to the harmonic mode, and they obey a triad resonant interaction qh^1 ＋ qh^2 = Kh.     

Photodegradation of <Emphasis Type="Italic">N</Emphasis>-nitrosodiethylamine in water with UV irradiation

The direct photolysis of N-nitrosodiethylamine （NDEA） in water with ultraviolet （UV） irradiation was investigated. Results showed that NDEA could be completely degraded under the direct UV irradiation. The effects of the experimental conditions, including the initial concentration of NDEA, humic acid and solution pH, were studied. The degradation products of NDEA were identified and quantified with gas chromatography-mass spectrometry （GC-MS） and high performance liquid chromatography （HPLC）. It was confirmed that methylamine （MA）, dimethylamine （DMA）, ethylamine （EA）, diethylamine （DEA）, NO2^- and NO3^- were the main degradation products. The photolysis degradation mechanism of NDEA was also discussed. As a result of N-N bond fission, NDEA was degraded by direct UV irradiation.     

dr1127： A novel gene of Deinococcus radiodurans responsible for oxidative stress

The functional analysis of dr1127,a novel gene in Deinococcus radiodurans was performed in this pa-per. The dr1127 gene was found occasionally in our microarray and 2-DE gel experiments. Mutation of the dr1127 gene decreased the γ-radiation and H2O2 resistance of D. radiodurans,and weakened the scavenging abilities of cell extracts for free radicals (superoxide anion,hydrogen peroxide,and hy-droxyl radical). Further oxidative damage assays demonstrated that the purified DR1127 protein of D. radiodurans could bind to double stranded DNA in vitro and protect DNA from oxidative damage in this way. These results suggest that the dr1127 gene is an important gene that can maintain γ-radiation and oxidative resistance in D. radiodurans and may take part in the oxidative stress process.     

Dead lithium phase investigation of Sn-Zn alloy as anode materials for lithium ion battery

In this work, based on First-principle plane wave pseudo-potential method, we have carried out an in-depth study on the possible dead lithium phase of Sn-Zn alloy as anode materials for lithium ion batteries. Through investigation, we found that the phases Li_xSn₄Zn₄(x = 2, 4, 6, 8) contributed to reversible capacity, while the phases Li_xSn₄Zn_8−(x−4)(x = 4.74, 7.72) led to capacity loss due to high formation energy, namely, they were the dead lithium phases during the charge/discharge process. And we come up with a new idea that stable lithium alloy phase with high lithiation formation energy (dead lithium phase) can also result in high loss of active lithium ion, besides the traditional expression that the formation of solid electrolyte interface film leads to high capacity loss. Supported by the National Natural Science Foundation of China (Grant No. 50771046), Natural Science Foundation of Guangdong Province (Grant No. 05200534), Key Projects of Guangdong Province and Guangzhou City (Grant Nos. 2006A10704003 and 2006Z3-D2031) and China Postdoctoral Science Foundation (Project No. 20080440764)     

TiO2-based building materials: Above and beyond traditional applications

In the 1910s, TiO₂ began to be used in building materials as pigments and opacifier due to its excellent optical property. Since the photocatalytic property of TiO₂ was observed in 1972, its application field was expanded to air cleaning and sterilization. Thereafter, people added TiO₂ into building materials to develop novel and facile building materials. These materials were widely used for air cleaning, sterilization, self-cleaning, anti-fogging, decoration, and building cooling. The combination of building and other functions can serve simultaneously. Although TiO₂-based building materials have bright prospects, some aspects such as improving the stability and enhancing photoactive performance of the materials are of importance for future research. Supported by the National High Technology Research and Development Program (“863” Program) of China (Grant No. 2007AA061402), Chinese Key Technology Research and Development Program of the Eleventh Five-year Plan (Grant No. 2006BAJ02A08), Hangzhou Science & Technology Development Program (Grant No. 20061133B27) and Research Fund for the Doctoral Program of Higher Education (Grant No. 20070335197)     

Rate constants for the reaction of ozone with <Emphasis Type="Italic">n</Emphasis>-butyl, <Emphasis Type="Italic">s</Emphasis>-butyl and <Emphasis Type="Italic">t</Emphasis>-butyl methyl sulfides

The rate constants for the ozone reactions with n-butyl methyl sulfide （n-BMS, CHaCH2CH2CH2SCH3）, sec-butyl methyl sulfide （s-BMS, CH3CH2（CH3）CHSCHa） and tert-butyl methyl sulfide （t-BMS, （CH3）3CSCH3） were measured using our smog chamber under supposedly pseudo-first-order conditions at 30002 K and 760 Torr. The experimental determined rate constants for n-butyl, s-butyl and t-butyl methyl sulfide are （1.23 ± 0.06）×10-19, （5.08 ± 0.19）×10-20 and （2.26 ± 0.14）×10-20 cm3 molecule-1· s-1, respectively. The reactivity-structure relationship of the reactions was discussed and used to illustrate the mechanism of the ozone reaction with thioethers. The results enrich the kinetics data of atmospheric chemistry.     

Mineral magnetic properties of surface sediments at Bei’anhe, Beijing, and its environmental significance

A multiparameter investigation of surface sediments from the Bei＇anhe section （Beijing） has been conducted using environmental magnetic approaches. The studied sedimentary sequence consists of pluvial and lacustrine silts and clay of the Holocene age. Magnetite, hematite and pyrrhotite were identiffed as the dominant magnetic minerals. The mineral magnetic characteristics are considered to reflect the Holocene paleoenvironmental processes of the studied area, which are different from the mineral magnetic properties of typical polluted sections reported in the Beijing area. The low-field magnetic susceptibility and saturated isothermal remanence magnetization of the section decrease gradually with increasing depth. This indicates that the concentration of magnetic minerals in the strata decreases down the section. Values of interparametric ratios, such as ARM/SIRM, XARM/Xand SIRM/X, gradually increase with increasing depth, which indicates a down-section decreasing trend in the magnetic grain size of the sediments. Pyrrhotite occurs below the depth of 22 cm, suggesting the existence of redox interface. The magnetic variations of the Bei＇anhe surface sediments might be controlled by two geological processes： reductive diagenesis and pedogenesis. Our findings may have provided a reference point for magnetic investigation of polluted surface sediments in the Beijing area.