Photovoltaic properties of MEH-PPV/TiO2 nanocomposites

Photovoltaic properties of photodiodes based on nano-TiO2 and poly[2-methoxy,5-（2＇-ethlhexyloxy）-p-phenylenevinylene] （MEH-PPV） composites are investigated. By comparing composite devices with the same weight of TiO2 （nanoparticles and nanotubes）：MEH-PPV, it was found that the device with TiO2 nanotubes exhibited better performance. By further optimizing the weight radio of TiO2 nanotubes： MEH-PPV, we gained the device with a short circuit current density of 9.27μA/cm^2 with a light intensity of 16.7mW/cm^2 at the 500 nm wavelength, the highest open-circuit voltage of 1.1V, and a photosensitivity of 332 at reverse bias of -0.6V. The photosensitivity is improved by a factor of 33 compared with the undoped MEH-PPV device.     

基于植酸锆/普鲁士蓝复合膜的电催化行为研究

通过层层自组装技术,构建植酸锆/普鲁士蓝(Zr-IP_6/PB)多层结构膜.基于普鲁士蓝(PB)对双氧水(H_2O_2)有很高的电催化性能,加之5层植酸锆/普鲁士蓝膜多孔结构有利于传质过程,该H_2O_2传感器具有高灵敏度和高选择性.实验结果显示:修饰电极对H_2O_2响应的物质的量浓度范围为2.00×10~(-5)～1.76×10~(-3) mol·L~(-1),线性相关系数R=0.998 9.     

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.     

多粘类芽孢杆菌同步糖化发酵玉米粉生产(R,R)-2,3-丁二醇

【目的】对多粘类芽孢杆菌Paenibacillus polymyxa的玉米粉同步糖化发酵工艺进行优化,以获得低成本、高效的(R,R)-2,3-丁二醇生产技术。【方法】研究玉米粉浓度、氮源种类和氮源浓度对菌体生长、耗糖能力以及(R,R)-2,3-丁二醇产量、产率、得率和转化率的影响,并在此基础上进一步考察培养基中其它成分对(R,R)-2,3-丁二醇发酵的影响。【结果】优化后的培养基组分为玉米干粉140g/L,酵母粉30g/L,Na_2HPO_4 3g/L,KH_2PO_43g/L,(NH_4)2SO_42g/L,MgSO_40.8g/L,微量元素溶液2mL/L。使用优化后的培养基进行同步糖化发酵,发酵50h后(R,R)-2,3-丁二醇产量达到56.28g/L(光学纯度为98.3%),对葡萄糖的得率为0.44g/g,产率为1.13g/(L·h)。【结论】(R,R)-2,3-丁二醇生产技术低价高效,可为其工业化生产提供参考。     

Landfill leachate treatment by MBR： Performance and molecular weight distribution of organic contaminant

A membrane bioreactor (MBR) with an air-lift bioreactor and gravity flow is applied to treating landfill leachate. More than 99% of BOD5 (biochemical oxygen demand for five days) removal effi-ciency is achieved with less than 35 mg/L of BOD_5 in the effluent at less than 1.71 kg BOD5/m~3·d of BOD_5 loading rate. When DO (dissolved oxygen) is maintained at the range of 2.3―2.8 mg/L and the loading rate of NH_4~ -N (ammonium nitrogen) is kept at 0.16― 0.24 kg NH_4~ -N/m~3·d, the NH_4~ -N in the effluent is less than 15 mg/L. However, compared with high removal rates of BOD_5 and NH_4~ -N, the removal effi-ciency of soluble chemical oxygen demand (SCOD) varies between 70% and 96%. The investigation of molecular weight (MW) distribution has been carried out by the gel permeation chromatography (GPC) so as to understand the fate of organic matters in the MBR treating of landfill leachate. Results indicate that organic matters of the landfill leachate are composed of a high MW fraction (MW of the peak, MWp = 11480―13182 Da) and a low MW fraction (MWp = 158―275 Da). The high MW fraction is not biode-gradable, but can be decreased with microfiltration membrane. The most of the low MW fraction is bio-degradable, but the residue of the low MW fraction is able to permeate through the membrane, thus re-sulting in high SCOD in the effluent of the MBR.     

二苯环丙烷衍生物的晶体结构与分子结构

用Ｘ射线单晶衍射法测定二苯环丙烷衍生物Ｃ１６Ｈ１２ＮＣｌ晶体结构和分子结构,晶体属正交晶系空间群Ｐｚ１ｚ１ｚ１,晶胞参数ａ＝０．７６８１７（３）ｎｍ,ｂ＝１．１６３０７（４）ｎｍ,ｃ＝１．４２０５７（５）ｎｍ,ｖ＝１．２６９２（７）ｎｍ３,Ｚ＝４．Ｄｅ＝１．３２８ｇｃｍ－３,Ｒ＝０．０４７,ＲＷ＝０．０５０。并讨论了分子结构。     

Investigation on the coordinate structures of the rare earth metal complexes with edta and cydta ligands

0　IntroductionThegreatattentionhasbeenpaidtorareearthorradioactiverareearthmetalcomplexesfortheirvariousbiologicactivi ties[1 3] .Forexamples,theradioactiverareearthmetal1 53SmⅢ com plexeswerewidelyusedfortumourtherapyofbrain ,liver,lung ,heartandbonetissues[4 5] ;forrareearthmetalEuⅢandTbⅢemitinguniquefluorescence ,theircompoundswereappliedfordiagnosesofvariousdiseases[6 ,7] ;forrareearthmetalGdⅢcontainingthemosthigh spinsingleelectrons,itscomplexeswereusuallyusedforcontrastagentsofmag…     

Effect of KBr on the micellar properties of CTAB

The effect of KBr on the size, shape and microviscosity of CTAB micelles has been investigated by means of laser light scattering (LLS),¹H NMR measurements and fluorescence probe. The data obtained from the various techniques are quantitatively in agreement. The R_h of micelles in 0.01 rnol · L⁻¹ CTAB solution increases from 3.5 nm to 43 nm andR _g increases to 89 nm with addition of KBr salt. In this process, both the microviscosity and molecular weight of micelles M_w have noticeable increases, too. The rod-like micelles are formed at 0.1 rnol · L¹ KBr and the worm-like micelles are formed at above 0.2 rnol · L^-1 KBr.     

Average widths and optimal recovery of multivariate Besov classes inL p (Rd)

Some weak asymptotic results for average σ-K width and average σ_L width of the isotropic Besov classes S r pθB(R d), S r pθb(R d) and the anisotropic Besov classes S r pθB(R d), S r pθb(R d) in L p(R d) (1≤p<∞) are obtained, and the corresponding weak asymptotic optimal subspaces are identified. Furthermore, the weak asymptotic behavior of optimal recovery is established for the isotropic Besov classes S r pθB(R d) in L p(R d) (1≤p≤∞).     

QTL mapping of the root traits and their correlation analysis with drought resistance using DH lines from paddy and upland rice cross

A Double Haploid (DH) population, 116 plants, derived from the cross between Japonica upland rice IRAT109 and paddy rice Yuefu, planted in PVC pipe under upland ecosystem in 2001 and 2002, was used in this study. Seven root traits, including basal root thickness (BRT), total root number (RN), maximum root length (MRL), root fresh weight (RFW), root dry weight (RDW), ratio of root fresh weight to shoot fresh weight (RFW/SFW) and ratio of root dry weight to shoot dry weight (RDW/SDW), were studied. Using index of drought resistance (IDR), the ratio of yield under upland ecosystem to yield under lowland ecosystem of DH lines, as the criteria of drought resistance, and correla-tion analysis between root traits and IDR, showed that BRT, MRL and RN were significantly correlated with IDR. High IDR lines had thicker BRT, longer MRL and less RN than low IDR lines. A molecular linkage map with 94 RFLP markers and 71 SSR markers covering 1535.1 cM was pro-duced. QTLs and G譋 interactions for BRT, RN, MRL, RFW, RDW, RFW/SFW and RDW/SDW were obtained based on the constructed molecular linkage map and soft-ware QTLmapper version 1.0. A total of 18 additive QTLs and 18 pairs of epistatic QTLs associated with root traits were detected. There were nine additive QTLs and two pairs of epistatic QTLs performed significant interactions with environment. Some QTLs with high general contribution and no G譋 interaction were obtained. Two pairs of epistatic QTLs mrl3 and mrl8, brt3 and brt11a controlling MRL and BRT had high general contributions of 21.51% and 13.03% respectively. An additive QTL and a pair of epistatic QTLs controlling RFW and RDW had high general contributions of 13.50% and 25.64% respectively. Marker assisted selec-tion (MAS) for rice drought resistance based on QTL with high general contribution, low G譋 interaction and tightly linkage with IDR were also discussed.     

拟穴青蟹形态性状与性腺重量的相关分析

选取16月龄池塘养殖雌性拟穴青蟹(Scylla paramamosain)67只,测量其头胸甲长(X1)、头胸甲宽(X2)、腹部宽(X3)、体重(X4)和性腺重(Y),利用相关分析和通径分析方法计算形态性状对性腺重的相关系数、通径系数和决定系数,明确影响拟穴青蟹性腺重的主要形态性状,为拟穴青蟹选育提供理论依据和技术支持.结果表明,形态性状与性腺重相关性极显著(P＜0.01),其中体重对性腺重的直接影响和决定程度最大(0.736,54.2％),腹部宽次之,头胸甲长最小.通过头胸甲长、腹部宽和体重估计性腺重的多元回归方程为:Y=14.467-1.556X1+1.626X3+0.245X4 (R2=0.499).     

高分子量聚丙烯酸改性聚乙烯醇膜的耐水性能

将高分子量聚丙烯酸（PAA）与聚乙烯醇（PVA）混合,制备成PAA/PVA混合膜并对其进行热处理。考察了PAA分子量及其含量对混合膜耐水性能的影响,研究了热处理工艺条件对混合膜在沸水环境下的保留率。结果表明,随着PAA分子量和在混合膜中含量的增加,混合膜的耐沸水性能显著提高;当PAA加入量为30%（质量分数）,热处理温度和时间分别为160～180℃、3～5min时,混合膜的综合性能最佳;热处理后混合膜的玻璃化转变温度T_g提高到102℃,有效扩大了膜的使用温度范围。     

钝缀锦蛤选育群体F2生长性状相关性及遗传力分析

为开展钝缀锦蛤早期群体选育,通过生长性状研究群体选育的潜力,以经1代群体选育钝缀锦蛤(Tapes dorsatus)为亲本,通过阶段性移养的方式建立7个半同胞家系和混养F_2闭锁群体,分析12月龄和18月龄F_2群体的生长性状相关性,基于约束极大似然法(Restricted Maximum Likelihood,REML)估算12月龄钝缀锦蛤生长性状遗传力。结果显示钝缀锦蛤生长性状相关性达到极显著水平(P0.01)。根据多元回归分析结果,12月龄F_2群体壳长、壳高和壳宽对体质量直接作用为0.377,0.370,0.276;18月龄F_2群体壳长、壳高和壳宽对体质量直接作用为0.389,0.361,0.351。2个阶段壳体性状对体质量的直接作用相近,且直接作用大于间接作用,壳长对体质量直接作用最大。相比12月龄,8月龄F2群体壳宽对体质量的直接作用提高。12月龄和18月龄F2群体壳长(x_1)、壳高(x_2)、壳宽(x_3)对体质量(y)的回归方程分别为y=-48.724+0.513x_1+0.754x_2+0.882x_3(R~2=0.848)和y=-94.689+0.772x_1+1.141x_2+1.608x_3(R~2=0.864)。估算壳长、壳高、壳宽、体质量半同胞个体遗传力分别为0.14±0.16、0.10±0.08、0.49±0.28、0.29±0.14,壳宽的遗传力最高,表明壳宽是钝缀锦蛤选育的首选性状。本研究结果为钝缀锦蛤群体选育提供基础数据。     

A theoretical study of the proton transfer process in the spin-forbidden reaction ^1HNO（^1A＇） ＋ OH^-→^ 3NO^-（^3∑^-） ＋ H2O

The spin-forbidden reaction 1HNO（^1A＋OH^-→3NO^-（^3∑^-）＋H2O has been extensively explored using vari- ous CASSCF active spaces with MP2 corrections in several basis sets. Natural bond orbital （NBO） analysis, together with the NBO energetic （deletion） analysis, indicates that the two isomers have nearly equal total energy and could compete with each other in the title reaction. More significantly, the singlet/triplet surface crossing regions have been examined and the spin-orbit coupling （SOC） and energetics have been computed. The computational results indicate that the SOC is very large at the crossing point T1/S0 trans （ca. 40.9 cm^-1）. Moreover, the T1/S0 trans has a low energy of 10.67 kcal/mol relative to that of trans-So. Therefore, the surface crossing to the triplet state seems much more efficient at the T1/S0 trans region along the minimum energy path （MEP）, However, The values of single （P1^ISC） and double （P2^ISC） passes estimated at T1/S0 trans show that the ISC occurs with a little probability.     

红树蚬表型性状对秋季软体部重量的影响效果分析

在广西北部湾随机抽取红树蚬(Polymesoda erosa)171个,测量壳长(X1)、壳宽(X2)、壳高(X3)、活体重量(X4)和软体部重量(Y)5个性状,采用相关分析、通径分析和回归分析等方法研究各表型性状对软体部重量的影响。结果表明,各测量性状间的相关系数均达到了极显著水平(P<0.01);活体重量对软体部重量的直接影响最大,其次为壳长,壳宽和壳高对软体部重量的直接影响不显著(P>0.05)。采用逐步回归分析方法建立估计软体部重量的多元回归方程为:Y=-5.286+0.133 X1+0.012 X3+0.096 X4(R2=0.758,P<0.01)。     

Solid-phase preparation and characterization of Chitosan

0　IntroductionChitosanhasbeenwidelyusedinpharmaceu tical,agriculturalandindustrialfieldbe causeofitsintriguing properties[1 ] .Chemicalmethodstopreparechitosanfromchitinhavebeenbroadlystudiedincludingsolutionmethod ,meltedalkalinemethod,microwavesemi drymethod ,improvedLinelbergmethod ,dissolution precipita tionmethodandsoon ,inwhichalkalinewasallusedasthecatalyst[2 ] .Biologicalmethodwasapromisingwayinthatitproducedlittleenviron mentalpollutionanditsreactionconditionsweremild .However,thism…     

Remote sensing of algal blooms using a turbidity-free function for near-infrared and red signals

HARMFUL ALGAL BLOOM ACTS UPON IMPORTANT ENVIRON-MENTAL PROBLEMS IN COASTAL WATERS.A UNIFIED AND IM-PLEMENTING METHOD FOR SURVEY AND MONITORING ALGALBLOOMS HAS BEEN DEVELOPED SINCE LAST DECADE.HOWEVER THERE IS A DATA GAP OF ABOUT TENS YEARS IN THE PERIOD W…     

Influence of solid retention time on sludge characteristics and effluent quality in immersed membrane bioreactor

Here the effect of solid retention time （SRT） on the concentration of the mixed liquor suspend solid （MLSS）, the sludge characteristics, the content of extra-cellular polymeric substances （EPS）, the viscosity of mixed liquor and effluent quality in the immersed membrane bioreactor （IMBR） was investigated. The results indicate that the increase of the EPS content is the main reason for the increase of mixed liquor viscosity, the former is positively correlated with the latter （R^2 = 0.9751）. The size distribution profile of particles in the mixed liquor presents double-peak shape at SRT more than 30 days. The filtration resistance of membrane in IMBR is mainly caused by the tiny particles and the viscosity of the mixed liquor. In this study, the extension of SRT can hardly affect the removal efficiency of Chemical Oxygen Demand （COD） and NH4^＋-N, and when SRT is below 30 days, silt density index （SDIIs） is less than 3, the effluent can be deeply treated by using reverse osmosis system （RO） or nano-filtration system （NF）. The method of controlling SRT is put forward by analyzing the relationship between SRT and the minimum generation-time of dominant bacteria （at the maximum specific growth rate under the operation temperature）.     

Syntheses, characterization, crystal structure and magnetic properties of copper(Ⅱ)α, β-unsaturated carboxylate complexes with trimethyl phosphate

Two ternary complexes Cu2A4[OP(OCH₃)₃]₂ (A represents CH₂== CH—COO- and CH₂== C(CH₃)—COO-) have been synthesized, and elemental analyses, IR, ESR, electronic reflectance spectra and magnetic studies were carried out. The single crystal X-ray diffraction shows that Cu₂[CH₂== C(CH₃)—COO]₄[OP(OCH₃)₃]₂ is triclinic, with space group P1, a = 1.05128(13), b = 1.7559(5), c = 1.94479(3) nm, α = 91.263(14)°, β = 102.559(6)°, γ = 106.339(13)°, Z = 4 and R = 0.0668. Two copper(Ⅱ) atoms are bridged by four a -methacrylate groups, and each copper(Ⅱ) atom is coordinated with a trimethyl phosphate molecule in the axial position, forming a distorted square pyramidal configuration. The symmetric center is between the two copper(Ⅱ) atoms, and the Cu-Cu bond distance is 0.26098(6) nm. The Cu-Cu distance and magnetic studies suggest that there exist antiferromagnetic interactions between the two copper(Ⅱ) atoms.