芳胺氮芥衍生物的合成与生理活性研究

以芳香氮芥N,N-二(2-氯乙基)-1,4-苯二胺为药效基团,4位取代的苯胺和α-萘胺为载体,通过尿素的连接方式,合成了5个芳胺类氮芥衍生物,所有化合物的结构经元素分析、1HNMR、13CNMR和MS测试确证。对K562(白血病细胞),B16(黑色素瘤)和CHO(中国仓鼠卵巢癌细胞)三种细胞模型进行了体外抗肿瘤活性测试,结果表明部分化合物的活性较N,N-二(2-氯乙基)-1,4-苯二胺有明显提高,其中化合物5e在一定的浓度范围内与商品药物美法仑相当。     

液相微萃取研究与应用

液相微萃取是近年来新兴的一种微型化样品前处理技术。该技术集萃取、净化、浓缩于一体,具有溶剂耗量少、成本低廉、操作便捷、精确和灵敏度高的特点。本文全面深入地综述了液相微萃取的各种工作模式及其原理和特点,阐述了相关的联用分析技术和方法的适用性,归纳和分析了影响萃取的主要影响因素及优化的方法,突出了上述几方面中具有发展潜力的新进展,包括各种动态萃取模式与装置、 与其它技术联用的新策略、离子液体作为萃取溶剂等,详细总结了近年来液相微萃取技术在环境、药物和食品等分析领域中的应用情况。     

用于激光载波通信的激光干涉调制演示仪

本介绍了具有结构简单、体积小、操作方便、开放式、演示过程良好的激光干涉调制演示仪。     

高内相/自乳液聚合的共轭亚油酸低聚体的囊泡化及稳定性

采用自乳化法制备了高内相共轭亚油酸(CLA)的水包油(O/W)乳液, 并通过热引发乳液聚合反应得到共轭亚油酸低聚体(oligo-CLA); 将oligo-CLA用于自组装脂肪酸囊泡(FAV). 透射电子显微镜和动态激光光散射表征结果均表明, 在pH=8.6~13范围内得到了囊泡粒径为10~30 nm的FAV, 此结果对提高FAV的pH适应性具有理论意义. 自乳液聚合实验结果表明, 该高内相自乳化/热引发低聚反应策略可以使浓度高达75.3%(质量分数)的CLA完成无外加表面活性剂乳液聚合, 并使共轭双键总自交联率达到33%且控制oligo-CLA的平均聚合度约为6, 对规模化生产oligo-CLA及构筑FAV具有实用价值. 与CLA相比, oligo-CLA具有更好的低温溶解性, 由其自组装的FAV具有更好的环境适应性, 如耐酸性和抗钙皂能力, 而且显示出较好的钙响应囊泡体积膨胀率; 以极少量非离子表面活性剂Span 40或AEO₂辅助oligo-CLA形成的杂化囊泡具有更宽的pH适应性. 因此, 所制备的FAV在药物释放体系、 日用化学产品、 家用洗涤剂和个人护理产品中具有更广阔的应用前景.     

Analysis of a stochastic predator-prey system with foraging arena scheme

ABSTRACT

This paper focuses on a predator-prey system with foraging arena scheme incorporating stochastic noises. This SDE model is generated from a deterministic framework by the stochastic parameter perturbation. We then study how the correlations of the environmental noises affect the long-time behaviours of the SDE model. Later on the existence of a stationary distribution is pointed out under certain parametric restrictions. Numerical simulations are carried out to substantiate the analytical results.     

Theoretical study on the mechanism and kinetics for the self-reaction of C2H5O2 radicals

Oxygen-to-oxygen coupling, direct H-abstraction and oxygen-to-(α)carbon nucleophilic substitution processes have been investigated for both the singlet and triplet self-reaction of C(2)H(5)O(2) radicals at the CCSD(T)/cc-pVDZ//B3LYP/6-311G(2d,2p) level to evaluate the reaction mechanisms, possible products and rate constants. The calculated results show that the title reaction mainly occurs through the singlet oxygen-to-oxygen coupling mechanism with the formation of entrance tetroxide intermediates, and the most dominant product is C(2)H(5)O + HO(2) + CH(3)CHO (P5) generated in channel R5. Beginning from the radical products of P5 (C(2)H(5)O, HO(2)) and reactant (C(2)H(5)O(2)), five secondary reactions HO(2) + HO(2) (a), HO(2) + C(2)H(5)O (b), C(2)H(5)O + C(2)H(5)O (c), HO(2) + C(2)H(5)O(2) (d), and C(2)H(5)O + C(2)H(5)O(2) (e) mainly proceed on the triplet potential energy surface. Among these reactions, (a), (b), and (d) are kinetically favorable because of lower barrier heights. The calculated rate constants of channel R5 between 200 and 295 K are almost independent of the temperature, which is in agreement with the experimental report. With regard to the final products distribution, CH(3)CHO, C(2)H(5)OH, C(2)H(5)OOH, H(2)O(2), and (3)O(2) are predicted to be major, whereas C(2)H(5)OOC(2)H(5) should be in minor amount.     

A simple method to prepare the magnetic Ni@Au core‐shell nanostructure for the cycle surface enhanced Raman scattering substrates

We have developed a simple and efficient approach to synthesize Ni@Au core‐shell nanostructures using the simple redox transmetalation reaction. The as‐synthesized nanomaterial with clean and reproducible properties was used as the surface enhanced Raman scattering (SERS) substrate. In addition, these nanostructures are stable for at least a 30‐day period, and the long‐term stability is of the great importance in practical application. The magnetic behavior serves as an added advantage of its easy separation from the analytes. So that it can be reused. This novel multifunctional hybrid nanostructure will open up an exciting opportunity in multiple uses SERS measures. Copyright © 2013 John Wiley & Sons, Ltd.     

Molecular dynamics and neutron scattering study of the dependence of polyelectrolyte dendrimer conformation on counterion behavior

Atomistic molecular dynamics (MD) simulations and contrast variation small angle neutron scattering (SANS) have been combined to investigate the Generation-5 polyelectrolyte polyamidoamine starburst dendrimer. This work reveals the dendrimer conformational dependence on counterion association at different levels of molecular charge. The accuracy of the simulations is verified through satisfactory comparison between modeled results, such as excess intra-dendrimer scattering length density distribution and hydration level, and their experimental counterparts. While the counterion distributions are not directly measureable with SANS, the spatial distribution of the counterions and their dendrimer association are extracted from the validated MD equilibrium trajectories. It is found that the conformation of the charged dendrimer is strongly dependent on the counterion association. Sensitivity of the distribution of counterions around charged amines to the counterion valency is qualitatively explained by adopting Langmuir adsorption theory. Moreover, via extending the concept of electrical double layer for compact charged colloids, we define an effective radius of a charged dendrimer including the spatial distribution of counterions in its vicinity. Within the same framework, the correlation between the strength of intra-dendrimer electrostatic repulsion and the counterion valency and dynamics is also addressed.     

基于稀疏表示模型和自回归模型的高光谱分类

针对高光谱分类中对光谱信息和空间信息利用不足的问题,提出了一种基于稀疏表示模型和自回归模型相结合的分类算法。该算法利用稀疏表示模型和自回归模型,设计联合字典:在光谱维上,利用稀疏表示模型将高光谱的每个光谱向量表示为字典中训练样本的稀疏线性组合;在空间维上,利用自回归模型对每个光谱向量的8邻域进行约束。针对不同样本分别构造一个字典,在减少计算量的同时减小重构误差,最后在最小重构误差和邻域相关性的约束下求解稀疏表示问题,以最小重构误差为准则实现高光谱数据的分类。仿真结果表明,该方法能够有效地提高高光谱数据的分类精度。     

氯气脱除技术研究进展

氯气(Cl₂)是一种对人体健康和大气环境有严重威胁的高毒性污染物,广泛存在氯碱工业的生产过程中,是含氯尾气的主要成分。含氯尾气的高效清洁脱除已成为研究重点与难点。吸附法和吸收法脱氯技术是目前主要的研究方向。本文以Cl₂的高效率脱除为目标、经济性脱除为理念、绿色化脱除为方向,综述了吸附法和吸收法技术的脱氯效果、机理和优缺点,并针对吸附法脱氯效率不足、吸附剂损耗大和吸收法操作条件繁琐、二次污染风险高等问题提出研究与发展方向。