A nonlinear regression model applied to kinetic studies of ester hydrolysis with a surface acoustic wave sensor

A non-linear regression model was derived for the simultaneous determination of the rate constant in alkaline hydrolysis of esters and the initial concentration of esters based on the linear relationship between the frequency response of the surface acoustic wave sensor system and the conductivity of the solution. The model was tested theoretically and experimentally with the methyl-, ethyl-, and n-propyl-acetate systems. The corresponding rate constants estimated at 25 degrees C are 0.147, 0.103 and 0.0671 respectively.     

Alloyed semiconductor quantum dots: tuning the optical properties without changing the particle size

Alloyed semiconductor quantum dots (cadmium selenium telluride) with both homogeneous and gradient internal structures have been prepared to achieve continuous tuning of the optical properties without changing the particle size. Our results demonstrate that composition and internal structure are two important parameters that can be used to tune the optical and electronic properties of multicomponent, alloyed quantum dots. A surprising finding is a nonlinear relationship between the composition and the absorption/emission energies, leading to new properties not obtainable from the parent binary systems. With red-shifted light emission up to 850 nm and quantum yields up to 60%, this new class of alloyed quantum dots opens new possibilities in band gap engineering and in developing near-infrared fluorescent probes for in vivo molecular imaging and biomarker detection.     

Analyzing functional similarity of protein sequences with discrete wavelet transform

This paper applies discrete wavelet transform (DWT) with various protein substitution models to find functional similarity of proteins with low identity. A new metric, 'S' function, based on the DWT is proposed to measure the pair-wise similarity. We also develop a segmentation technique, combined with DWT, to handle long protein sequences. The results are compared with those using the pair-wise alignment and PSI-BLAST.     

反相微乳液法制备棒状羟基磷灰石纳米粒子

在(Tritonx-100 Tween 80)，环己烷，(正己醇 正丁醇)，0．5mol／L Ca(NO3)2水溶液反相微乳液体系中，采用滴加0．3mol／L(NH4)2HPO4水溶液的加料方式成功制备出直径在20～25nm，长度在28～64nm的棒状羟基磷灰石纳米粒子。通过对(Triton X-100 Tween 80)，环己烷，(正己醇 正丁醇)／0．5mol／L Ca(NO3)2水溶液三元相图及水溶液反应机理的分析，确定了最佳反相微乳液组成；研究了HLB值和表面活性剂用量对羟基磷灰石颗粒大小的影响。实验结果表明，最佳反相微乳液组成为：47．6(wt)％的环己烷、37．4(wt)％的表面活性剂和助表面活性剂、15(wt)％0．5mol／L的Ca(NO3)2水溶液。     

基于支持向量机的羰基化合物红外光谱研究

设计了一个4层分等级分类系统，通过支持向量机技术对羰基化合物的红外光谱成功地进行了信息分类和提取，并与人工神经网络进行比较，结果表明：支持向量机对羰基类化合物红外光谱分类效果优于人工神经网络；另外详细探讨了表征酰胺类化合物的特征光谱峰片段对识圳伯仲叔酰胺的影响，证明了酰胺的N-H伸缩振动峰对识别伯仲叔酰胺贡献最大，为构建红外光谱智能解析系统提供了定量依据。     

巢湖、龙感湖水体中稀土元素的无机形态研究

运用MINTEQ化学平衡软件对巢湖、龙感湖中溶解态稀土的形态进行模拟。模拟结果表明，在巢湖和龙感湖中Ln（CO3）^2-，LnCO3^＋是溶解态稀土的最主要的存在形式，当8pH〉7．19时，REE主要以LnCO3^＋形式存在，当pH〉8时，REE主要以Ln（CO3）2^-形式存在，并且∑Ln（CO3）n^3-2n（n=1和2）形态的稀土基本上占溶解态稀土总含量的93％以上。Ln^3＋在巢湖和龙感湖水体中平均丰度为5．03％，Ln^3＋的丰度和pH值成反相关关系。LnPO4在湖水中平均丰度为1．61％，但这种形式的稀土在巢湖和龙感湖中非常重要。巢湖和龙感湖中LREE的LnPO4均处于过饱和状态，甚至巢湖西半湖区丰水期HREE的LnPO4的也都处于过饱和状态，PO4^3＋对稀土的存在有很强的限制作用。InSO4，LnF^2＋，LnOH^2＋，LnCl^3＋等形态的各元素平均丰度均小于1％，在富营养化的淡水中通常可以忽略不计。     

电解沉积压电频移分析的理论与验证

提出了控制电位电解和恒电流电解两类电解沉积的压电频移分析法测定的理论公式,用实验结果验证了它的正确性.     

Construction and analytical application of ion-selective piezoelectric sensor for atropine sulfate

The method describes the use of a piezoelectric quartz crystal (PQC) as a substitute for ion-selective electrodes. The approach is feasible when the membrane materials are electrically non-conductive and membrane potential measurements are consequently not possible. An ion-selective piezoelectric sensor sensitive to atropine sulfate was constructed by coating a PVC membrane containing activant on one the side of a PQC. On the basis of selective adsorption of atropine ions across the modified film and the sensitive mass response of PQC, the method exhibits a sensitive, rapid response and is easy to operate without pretreatment of the sample. The logarithm of the frequency shift gave a linear relationship with the logarithm of atropine sulfate concentration in the 1.0 x 10(-8)-1.0 x 10(-3) M range with a detection limit of 5.0 x 10(-9) M at pH 7.0. Recoveries were from 98.7-102.2%. Two activants, atropine tetraphenylborate and atropine dipicrylaminate, were synthesized and investigated. Influencing factors were also examined and optimized. The results for real samples obtained by the proposed method agreed with those obtained by conventional methods.     

Preparation and characterization of a novel pH-sensitive ion exchange resin

Methylacrylic acid/styrene cross-linked with divinylbenzene is a novel pH-sensitive ion exchange resin. Microspheres of this resin were characterized by Fourier transform infrared spectroscopy (FTIR) and differential scanning calorimetry (DSC). The microspheres showed a pulsatile swelling behavior when the pH of the media changed. The pH-sensitive microspheres were loaded with salbutamol sulfate and the drug-release characteristics were studied under both simulated gastric and intestinal pH conditions. The results obtained showed that the drug release also depended on the pH of the release media.     

Preparation and characterization of poly(propylene carbonate)/montmorillonite nanocomposites by solution intercalation

Poly(propylene carbonate) (PPC) is a new biodegradable aliphatic polycarbonate. However, the poor thermal stability and low glass transition temperatures (T_g) have limited its applications. To improve the thermal properties of PPC, organophilic montmorillonite (OMMT) was mixed with PPC by a solution intercalation method to produce nanocomposites. An intercalated-and-flocculated structure of PPC/OMMT nanocomposites was confirmed by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The thermal and mechanical properties of PPC/OMMT nanocomposites were investigated by thermal gravimetric analysis (TGA), differential scanning calorimetric (DSC), and electronic tensile tester. Due to the nanometer-sized dispersion of layered silicate in polymer matrix, PPC/OMMT nanocomposites exhibit improved thermal and mechanical properties than pure PPC. When the OMMT content is 4 wt%, the PPC/OMMT nanocomposite shows the best thermal and mechanical properties. These results indicate that nanocomposition is an efficient and convenient method to improve the properties of PPC.