Dendrimers as potential drug carriers; encapsulation of acidic hydrophobes within water soluble PAMAM derivatives

This paper describes the synthesis of three neutral water soluble poly(amidoamine) (PAMAM) dendrimer derivatives. The ability of the two larger dendrimers to bind small acidic hydrophobic molecules is reported. Spectroscopic data and pH behaviour suggested that the acidic hydrophobes were forming stable ion pairs with the dendrimer's internal, basic tertiary nitrogens. With respect to forming 1:1 and 2:1 substrate/dendrimer complexes, both of the larger dendrimers were equally efficient at binding. All dendrimer/substrate complexes were completely miscible with water in all proportions (i.e. infinitely water soluble). When the bound substrates are drug moieties, then the resulting complexes could be considered as potential drug delivery systems. Flow calorimetry demonstrated that the dendrimers were able to release their hydrophobic guests when in contact with a biological cell.     

Static droplet array for the synthesis of nonspherical microparticles

We reported a manually operated static droplet array (SDA)-based device for the synthesis of nonspherical microparticles with different shapes. The improved SDA structure and reversible bonding between poly(dimethylsiloxane) (PDMS) were used in the device for the large-scale synthesis and rapid extraction of nonspherical microparticles. To understand the device physics, the effects of flow rate, SDA well size, and shape on droplet generation performances were explored. The results indicated that droplet generation in SDA structures was insensitive to the flow rate, and monodisperse droplets were generated by the SDA-based device through manually pushing the syringe. Finally, we integrated four kinds of SDA structures in one device and successfully realized the synthesis and extraction of nonspherical microparticles with different shapes and materials. Our SDA-based device offers numerous advantages, such as simple manual operation, low equipment cost, controllable microparticle shapes and sizes, and large-scale production. Thus, it holds the potential to be used as a flexible tool for the production of nonspherical microparticles.     

静态顶空/气相色谱-质谱法同时测定化妆品中22种有毒挥发性有机溶剂残留

以2015版《化妆品安全技术规范》中规定的常见禁用及限用有毒挥发性有机溶剂为研究对象,建立了静态顶空/气相色谱-质谱法(SHS/GC-MS)同时测定化妆品中22种有毒挥发性有机溶剂(VOC)(二氯甲烷、顺式-1,2-二氯乙烯、反式-1,2-二氯乙烯、2-氯-1,3-丁二烯、三氯甲烷、1,2-二氯乙烷、苯、四氯化碳、三氯乙烯、甲苯、四氯乙烯、氯苯、乙苯、三溴甲烷、间二甲苯、对二甲苯、苯乙烯、邻二甲苯、异丙苯、1,4-二氯苯、1,2-二氯苯、六氯丁二烯)残留的检测方法。试样在80℃下30 min静态顶空,经DB-1柱分离后,采用选择离子监测模式(SIM)进行定性定量分析。优化了顶空、色谱和质谱参数,结果表明:22种VOC在0.5~50 ng/m L浓度范围内均呈良好的线性关系,相关系数均大于0.99,在1.0,2.0,5.0 ng/m L 3个浓度加标水平下的平均回收率为80.3%~102.7%,相对标准偏差(RSD,n=6)为6.4%~9.9%,检出限为0.2~5.0 ng/g。结果表明,该方法简便、灵敏、准确,具有良好的重现性和稳定性,适合于化妆品中22种VOC残留的筛查和确证检测。     

过渡金属体系非线性光学性质计算的ECP基组研究

有效核势(ECP)方法是计算含有过渡金属体系的电子结构及物理性质的有效方法. 本文比较了一系列典型的ECP基组对计算含过渡金属体系非线性光学性质精度的影响. 分别在HF, MP2和DFT理论水平上对过渡金属元素使用不同的ECP基组, 计算了几个过渡金属有机化合物的静态一阶超极化率β₀. 研究结果表明: 使用有效核势计算含过渡金属体系时, 核电子的选取是提高计算精度的前提, ns和np电子应该和nd电子一同作为价电子处理; 对于重原子, 必须考虑自旋-轨道耦合相对论效应. 经过综合评估, 认为使用Stuttgart/Dresden赝势的ECP基组, MHF, 在计算含有过渡金属体系非线性光学性质方面是比较好的基组; Stuttgart RSC 1997和SBKJC VDZ相对而言是较好的基组; 基组Lanl2dz, Hay-Wadt MB (n＋1)和Hay-Wadt VDZ (n＋1)由于没有考虑自旋-轨道耦合, 计算精确度次之; 而基组CRENBL和CRENBS计算的偏差要大一些, 尤其是CRENBS基组由于价电子选择得太少而导致与实验值的偏差最大.     

煤的孔结构特征对水煤浆性质的影响

本文选用１７种不同变质程度的中国煤，详细研究了煤孔结构特征对煤浆性质的影响。发现煤孔体积通过影响煤在分散体系中的吸水性，从而影响煤之成浆性。但由于不同变质程度煤表面亲水性的显著差异，煤孔体积在影响煤成浆性的能力方面差别很大，这使得煤吸水性和浆体最高煤浓度与煤孔体积并不存在直接的相关性，而是取决于煤孔体积Ｖ和以煤－水接触角（θ）的余弦值表示的煤表面亲水性因子的乘积，即煤之有效孔体积：Ｖ×ｃｏｓ（θ／     

苯系物扩散管气体标准物质的研制

按照ISO 6145—2003、ISO 6144—1998标准,研制了新型气体标准物质动态配气装置,实现了微机对动态配气装置主要参数数据的实时监控。用该装置研制了氮中微量苯系物扩散管气体标准物质,量值的相对扩展不确定度为2％-3％,并与静态容量法配气进行了比较。     

Efficient Synthesis of Five Types of Heterocyclic Compounds via Intramolecular Elimination Using Ultrasound‐Static Heating Technique

An experimental technique, ultrasound‐static heating, has been developed for the efficient synthesis of heterocyclic compounds. The technique involves ultrasonic irradiation and static heating processes. First, the ultrasonic irradiation process is performed to form an intermediate of the heterocyclic compound under mild conditions and the subsequent static heating process (heating the intermediate under solvent‐free conditions without stirring) produces the target heterocyclic compounds via intramolecular elimination.     

静电场诱导十二烷基硫酸钠结晶行为的研究

用透射电镜、X射线衍射及DSC等方法 十二烷基硫酸钠（SDS）极稀水溶液（溶液介于临界聚集浓度和临界胶束浓度之间）在静电场作用下的结晶行为,静电场作用诱导SDS形成规则的四方单晶与从甲醇中重结晶所得样品的晶体结构相同,DSC结果表明,从有序到无序结构变化的一级相转变热焓相同,但由于电场诱导结晶的晶体较小而表现为转变温度的降低,没有施加静电场处理的样品只具有较低的有序程度。     

Enhancement of nonlinear optical properties of nanocarbon cluster C60 by aluminum doping

The search for good nonlinear optical (NLO) materials is of utmost importance in laser technology and optical information science, making it a popular research topic in materials science. It is reported that the introduction of alkali metal Li can enhance the NLO properties of nanocarbon materials. Here, metal Al, which exhibits similar electron transfer characteristics to Li, was used for the first time to enhance the NLO properties of nanocarbon cluster C₆₀, which possesses a large delocalized π structure and the highest yield in the fullerene family. Density functional theory calculations in combination with Boltzmann distribution showed that the most thermodynamically stable Al@I_h(1812)-C₆₀ exhibited good second-order NLO properties, which originated from the noncentrosymmetry geometry and one extra delocalized electron on I_h(1812)-C₆₀ from the 3p shell of inner Al. Density of state analysis indicated that the molecular orbitals of Al@I_h(1812)-C₆₀ were primarily formed by I_h(1812)-C₆₀ with minimal Al participation, and the presence of Al always resulted in an antibonding orbital effect. Bond critical point and electron localization function analyses indicated almost no covalent interaction between Al and I_h(1812)-C₆₀. Exohedral functionalization was employed to further stabilize Al@I_h(1812)-C₆₀ with radical character, and the infrared spectrum was also analyzed in detail. This study has promising implications for expanding the potential applications of fullerenes in optical devices.