测接触角法确定偶联剂的最佳用量

偶联剂是一类能在无机填料和聚合物基材之间形成“分子桥”、改善两者之间相容性或提高两者之间相互作用能力的化合物。将经偶联剂改性的无机填料填充到聚合物中可以制得成本低、性能好的复合材料。由于偶联剂用量多少将对复合材料的性能产生较大影响,因此建立一种准确、简便地确定偶联剂最佳用量的方法有着十分重要的理论和实际应用意义。     

红厚壳属植物化学成份及药理活性研究进展

综述了近年来对红厚壳属植物中的化学成分及药理活性研究，重点讨论了18种 红厚壳属植物中Zhao吨酮类，香豆素类，黄酮类和萜类的化学成分，并讨论了它们 的药理活性。     

Study of urinary nucleosides as biological marker in cancer patients analyzed by micellar electrokinetic capillary chromatography

Thirteen normal and modified nucleosides, primarily degradation products of transfer ribonucleic acid (tRNA), were evaluated as potential tumor markers for cancer patients. Their urinary concentrations were determined by means of micellar electrokinetic capillary chromatography (MEKC) in the urine from 54 healthy adults and 70 cancer patients, then quantitatively expressed as a function of creatinine excretion. It was found that urinary nucleosides for cancer patients were on the average significantly higher than those for healthy controls, however, no significant differences were found between male and female or between different ages. Based on 13 urinary nucleoside concentrations, principal component analysis (PCA) could be used to classify 72% of cancer patients from the healthy controls. The present study shows that the precise measurement of urinary nucleosides by MEKC in combining with PCA technique may provide a clinically useful approach for diagnosis of cancer.     

Study of a high-dimensional chaotic attractor

The nature of a very high-dimensional chaotic attractor in an infinite-dimensional phase space is examined for the purpose of studying the relationships between the physical processes occurring in the real space and the characteristics of high-dimensional attractor in the phase space. We introduce two complementary bases from which the attractor is observed, one the Lyapunov basis composed of the Lyapunov vectors and the another the Fourier basis composed of the Fourier modes. We introduce the exterior subspaces on the basis of the Lyapunov vectors and observe the chaotic motion projected onto these exteriors. It is shown that a certain statistical property of the projected motion changes markedly as the exterior subspace goes out of the attractor. The origin of such a phenomenon is attributed to more fundamental features of our attractor, which become manifest when the attractor is observed from the Lyapunov basis. A counterpart of the phenomenon can be observed also on the Fourier basis because there is a statistical one-to-one correspondence between the Lyapunov vectors and the Fourier modes. In particular, a statistical property of the high-pass filtered time series reflects clearly the difference between the interior and the exterior of the attractor.     

毛细管色谱直接进样法测定白酒中高碳脂肪酸乙酯的研究

介绍了采用ＦＦＡＰ键合毛细管柱直接进样测定白酒中５种高碳脂肪酸乙酯的方法，操作简捷，定量准确，检测限低达０４ｍｇ／Ｌ。用该法测定了各种香型近９０个白酒样品。改变色谱条件后，在一次直接进样分析中除能测定高碳脂肪酸乙酯外，而且还能对白酒中醇、酯、醛、酮以及有机酸等５２种香味组分进行定量测定，结果重现性良好。     

Dynamic headspace analysis of trace volatile components in polymeric materials by wide bore capillary gas chromatography

A novel dynamic headspace gas chromatographic system equipped with a wide bore capillary column was constructed for direct analysis of less volatile components in polymeric materials such as coating paints. With this system, the determination of typical paint additives such as hindered amine light stabilizers and ultraviolet absorbers could be carried out within a short time.     

Ethanol/water pulp enzymatic pretreatment: Chemical and FTIR-PCA analyses

Pulps obtained from ethanol/water cooking of sugarcane bagasse were treated at different times using xylanase enzyme obtained from Thermomyces lanuginosus IOC-4145 or commercially (Cartazyme HS, Sandoz Products Ltd.). The enzyme dosage was 18 IU per g of dry pulp and the time varied from 4 h to 12 h. When xylanase from T. lanuginosus was used, the kappa number and viscosity improved independently of the processing time used (4 h, 8 h, and 12 h). After chemical evaluation, the obtained pulps were classified using Fourier Transformed Infra-Red Spectroscopy and Principal Component Analysis. The results showed that the first three principal components explained more than 90 % of the total variance of the pulp spectra.     

Thermocontrolling ion permeation through binary component membrane composed of crown ether liquid crystal/PVC

In view of the nature of orderness in structure and the mesomorphism in property of liquid crystal, the function of which is further exploited by integrating it with the feature of crown ether. The monoarmed crown ether liquid crystals are successfully applied to the imitation of biomembrane transport. Binary component membrane composed of crown ether liquid crystal and PVC was first developed. Such a novel model of biomimetic membrane is capable of imitating ingeniously the thermocontrolling transport of biomembrane, thus the essential function of liquid crystal in membane transport is more fully exploited. It was suggested, consequently, that the molecules of the crown ether liquid crystal could assemble themselves to form ionic channels, as they exist in mesophase.Of still more significance is that the thermocontrolling transport of ions through the membrane is found to be operative selectively and the permeation of ion is under the direct influence of the thermal turmoil of the crown ether liquid cr     

Principal component analysis of the effects of wavefunction modification on the electrostatic potential of indole

The molecular electrostatic potential (MEP) of the indole molecule was calculated in a three‐dimensional grid in which the molecule was centered at the origin. To evaluate the dependence of MEP on the type of calculation, semiempirical, ab initio, and density functional theory methods with different basis sets were employed. The data matrix generated by these calculations was analyzed by principal component analysis (PCA). The appearance of outliers and the effect of wavefunction modifications such as the introduction of electron correlations and diffuse functions were highlighted by the use of PCA. The spatial localization of such effects around the molecule was possible from the loadings values associated with the graphical analysis of the grid points. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

利用选择性激发核磁共振对混合物中的两种化合物进行结构解析

利用现代NMR的1D、2D技术对一个混合物进行了分析。结果表明：混合物由两种化合物组成。为了同时准确确定两种化合物的结构，本工作应用了1D-TOCSY技术，利用该技术选择性强的特点来补充常规的1D、2DHMR实验所提供的分子结构的信息。在没有进行预分离的条件下，顺利地完成了样品中两种化合物的核磁信号归属，并最终确定了它们的结构。