A WATER-COMPATIBLE PHENOLIC HYDROXYL MODIFIED POLYSTYRENE AS AN ADSORBENT FOR ADSORBING PHENOLIC COMPOUNDS FROM AQUEOUS SOLUTIONS

1. INTRUDUCTION As most phenolic compounds are extremely toxic at the concentrations discharged into accepting effluents, the removal or destruction of phenolic compounds from such streams has become a significant environmental task [1]. Increasing concern for public health and environmental quality has led to the establishment of limits on the acceptable environmental levels of specific pollutants [2]. Consequently there has been a growing interest in developing and implementing various …     

Characterization of summer PM2.5 aerosols from four forest areas in Sichuan,SW China

Aerosol samples were collected over 24 and 12 h to represent day/night aerosol characteristics in forest areas at Ya’an Baima Spring Scenic Area（BM）,Panzhihua Cycas National Nature Reserve（PZ）,Gongga Mountain National Nature Reserve（GG）,and Wolong National Nature Reserve（WL）,during the summers of 2010-2012.Mass and chemical component concentrations,including organic carbon,elemental carbon,and inorganic ions(F^-,Cl^-,NO₂^-,NO₃^-,SO₄^2-,C₂O₄^2-,PO₄^3-,K⁺,Na⁺,Ca²⁺,Mg²⁺,and NH₄⁺),of PM_2.5 aerosols were measured.The average PM2.5 concentrations for 24 h were 72.42,104.89,20.55,and29.19 μg/m³ at BM,PZ,GG,and WL,respectively.Organic matter accounted for 38.0-49.3%,while elemental carbon accounted for 2.0-5.7%of PM2.5 mass.The sum concentrations of SO₄^2-,NH₄⁺,and NO₃^-accounted for 23.0%,17.4%,22.1%,and 30.5%of PM2.5 mass at BM,PZ,GG,and WL,respectively.Soil dust was also an important source of PM2.5,accounting for 6.3%,17.0%,10.4%,and 19.1%of PM2.5 mass at BM,PZ,GG,and WL,respectively.These reconstructed masses accounted for 75.9-102.0%of PM2.5 mass from the four forest areas of SW China.     

聚合氯化铝铁的红外光谱研究

用傅里叶变换红外光谱法研究了不同Al/Fe mol比的聚合氯化铝铁（PAFC）的中红外光谱。Al/Fe mol比＜3：7和6：4时，PAFC中Fe-O-H-Fe与Al-O-H-Al基团在850－880cm^-1和930－970cm^-1两个区间δ弯曲振动峰频随Al/Fe mol比的线性变化关系表明了Al(Ⅲ），Fe(Ⅲ)对两个基团的相互取代，即有Fe-O-H-Al(Al-O-H-Fe)基团存在。Al/Fe mol比相近时，位于625cm^-1的Al-O-H-Al-O-H整体弯曲振动峰与位于680cm^-1的Fe-O-H-Fe-O-H整体弯曲振动峰相互迭加形成640cm^-1而为主峰的宽峰，而Al-O-H-Al，Fe-O-H-Fe特征振动峰都大大减弱或消失。这说明Fe(Ⅲ)羟合物与Al(Ⅲ）羟合物交叉共聚的作用加强，溶液中生成了含铝水羟合铁（Aluminous Ferrihydrite）。而1610－1630cm^-1区间H－OH δ弯曲振动峰强和峰频随Al/Fe mol比的变化表明：Al/Fe mol比＞6：4后PAFC中Al-Fe羟合共聚体配位水量最高且相对稳定，它们转变成为结构水后与中心离子间的键合作用增强。这就是PAFC溶液在Al/Fe mol比＞6：4后保持稳定的原因之一。     

Ti(Ⅳ)掺杂Bi_2O_3电子结构和可见光催化活性的原理

密度泛函理论(DFT)计算对掺杂体系新型环境光催化剂设计开发具有指导意义.基于DFT框架下的第一性原理平面波超软赝势方法(USPP),对α、β、γ、δ-Bi2O3晶体几何结构分别进行了优化计算,从理论上得到了Bi2O3的总体态密度(TDOS)和Bi、O原子的分波态密度(PDOS).在此基础上对Bi2O3超晶胞进行Ti(IV)的掺杂计算,讨论了Ti(IV)掺杂对各种Bi2O3的电子结构和光吸收特性的影响.结果表明Ti(IV)掺杂Bi2O3晶体后,Ti(IV)的3d轨道进入禁带并与O2p、Bi6p轨道作用,使禁带宽度(Eg)变小,Bi2O3的吸收边红移,从而有助于Bi2O3光催化活性的改善.通过水热合成法制备的Ti(IV)掺杂Bi2O3样品的紫外-可见光漫反射光谱验证了计算的结果.在光催化降解有机染料结晶紫的实验中,光催化剂活性的改善进一步得到证实.     

二元自缩合乙烯基聚合反应体系的统计热力学

应用统计力学原理对二元自缩合乙烯基聚合反应体系(由单体和引发单体组成)的统计热力学特征予以研究.首先从两种不同的角度给出与聚合反应相应的配分函数,据此得到反应体系的平衡自由能、质量作用定律以及超支化高分子的数量分布函数,进而计算了体系的比热和等温压缩系数等热力学量.进一步研究了超支化高分子的空间尺度,给出反应体系k次均方回转半径的递推公式,计算了各种不同溶剂条件下的均方回转半径,指出引发单体分数、反应程度和溶剂效应对超支化高分子空间尺度的影响.     

Synthesis of Cu_2O nanobelts via surfactant-assisted polyol method

The synthesis of nanostructured Cu₂O was conducted in a non-aqueous solution via polyol method at a temperature of 130℃.It was found that the formation of Cu₂O nanobelts was heavily dependent on the presence of surfactant cetyltrimethylammonium bromide（CTAB）.Cu₂O nanobelts with 100-400 nm in width and several micrometers in length were only observed when CTAB was used,whereas in other cases where CTAB was absent or CTAB was replaced with polyvinylpyrrolidone（PVP K-30）,only spherical or cube-like particles were formed.The formation mechanism of Cu₂O nanobelts was discussed.     

Analysis of Phospholipids in Crucian Carp(Carassius auratus) Muscle by Offline HPLC-MALDI-TOF MS

The interest in the analysis of phospholipids(PLs), especially phosphatidylcholine(PC), has been increasing due to the importance of them in biochemistry as well as in industry. A method was reported based on the offline combination of MALDI-TOF MS and normal-phase HPLC for analyzing PLs extracted from crucian carp. Total PLs of crucian carp were extracted and then separated by HPLC before the collected subfractions were analyzed by MALDI-TOF MS. The mass spectra obtained show peaks of H+, Na+ and K+ adduct...     

Synthesis and Structure of an Organo-templated Oxouranium Phosphite

A novel layered oxouranium phosphite open-structure [(C10H24N2)(H2O)][(UO2)2(HPO3)3](denoted as TJPU-8,TJPU=Tianjin Polytechnic University) was hydrothermally synthesized with isophorondiamine(IPDA) as the template.Single crystal structure refinement disclosed that TJPU-8 crystallized in the monoclinic space group P21c with cell parameters a=1.8346(9) nm,b=0.6734(1) nm,c=2.0639(0) nm,β=114.61(5)°,V=2.3182(8) nm3,Z=2.TJPU-8 was constructed by UO7 monomer,U2O12 dimer and HPO3 groups.The monomeric UO7 or dimer...     

水环境中联苯三酚的化学发光分析研究

联苯三酚对KIO4氧化异硫氰酸异鲁米诺 (ITCI)化学发光新体系有显著的增强作用 ,由此建立了一种高灵敏的测定联苯三酚的化学发光分析新体系。测定联苯三酚的线性范围为 1 75× 10 -8～ 2 5× 10 -6mol·L-1,检测限为 3 4 9× 10 -9mol·L-1,精密度为 5 6 0 % (c=5× 10 -7mol·L-1,n =9) ;用该法对自来水中的联苯三酚进行测定 ,回收率为 94 0 %～ 112 0 % ,结果令人满意     

基于雌激素β受体结构雌激素类化合物的三维定量结构-活性关系与分子对接研究

雌激素类化合物由于其对人和野生动物健康的负面影响而受到广泛关注.雌激素受体存在α和β两种亚型,由于雌激素β受体（ERβ）与α受体（ERα）两者结合腔中的氨基酸序列存在明显差异,因此配体化合物在与雌激素β受体和α受体的结合活性和模式上也可能存在较大差别.本文以50个与雌激素β受体结合的化合物为研究对象,应用比较分子相似性指数分析（COMSIA）的三维定量结构-活性关系（3D-QSAR）分析方法研究化合物结构与活性之间的关系,比较了原子契合和基于受体结构两种分子叠合方式对模型质量的影响,建立了相关性显著、预测能力强的定量活性预测模型（R^2=0.961,qLOO^2=0.671,R^2Pred=0.722）,并结合分子对接方法揭示了影响化合物活性的分子结构特征和分子机理.