Molecular Dynamic Study of Mechanism Underlying Nature of Molecular Recognition and the Role of Crosslinker in the Synthesis of Salmeterol-Targeting Molecularly Imprinted Polymer for Analysis of Salmeterol Xinafoate in Biological Fluid

The rational preparation of molecularly imprinted polymers (MIPs) in order to have selective extraction of salmeterol xinafoate (SLX) from serum was studied. SLX is an acting β-adrenergic receptor agonist used in the treatment of asthma and has an athletic performance-enhancing effect. Molecular dynamics were used for the simulation of the SLX-imprinted pre-polymerization system, to determine the stability of the system. The computational simulation showed that SLX as a template, 4-hydroxyethyl methacrylate (HEMA) as a monomer, and trimethylolpropane trimethacrylate (TRIM) as a crosslinker in mol ratio of 1:6:20 had the strongest interaction in terms of the radial distribution functional. To validate the computational result, four polymers were synthesized using the precipitation polymerization method, and MIP with composition and ratio corresponding with the system with the strongest interaction as an MD simulation result showed the best performance, with a recovery of 96.59 ± 2.24% of SLX in spiked serum and 92.25 ± 1.12% when SLX was spiked with another analogue structure. Compared with the standard solid phase extraction sorbent C-18, which had a recovery of 79.11 ± 2.96%, the MIP showed better performance. The harmony between the simulation and experimental results illustrates that the molecular dynamic simulations had a significant role in the study and development of the MIPs for analysis of SLX in biological fluid.     

电感耦合等离子体质谱(ICP-MS)法测定农产品样品中6种痕量元素

建立了电感耦合等离子体质谱(ICP-MS)法测定果蔬类、大米等农产品样品中痕量元素的方法.样品通过HNO3-H2 O2混酸体系微波消解,以Rh作为内标溶液消除基体干扰,在仪器最佳条件下测定植物样中镉、铅、铬、铜、镍、锌6种痕量元素.方法的检出限为0.002～0.5μg/g;相对标准偏差(RSD)为0.84％ ～7.4％...     

正丁烷在Au,Zn组合改性纳米HZSM-5上的催化转化

采用沉积沉淀和浸渍法制备了Au-Zn组合改性HZSM-5催化剂.并且对比研究了HZSM-5,Au/HZSM-5,Zn/HZSM-5和Au-Zn/HZSM-5催化剂的性质和催化性能.采用UV-Vis和XPS表征揭示出Au-Zn/HZSM-5催化剂中Au物种与Zn物种的相互作用.正丁烷探针反应结果表明,在Zn/HZSM-5催化剂中引入Au有效地提高了正丁烷的脱氢芳构化性能,同时抑制了正丁烷在Zn活性中心上的氢解副反应.在相同条件下,与Zn/HZSM-5催化剂相比,正丁烷转化率由49.1%增加到70.8%,烯烃和芳烃产物总选择性由57%增加到61.98%,干气的选择性由31%降低至28.4%.上述结果表明,Au-Zn/HZSM-5催化剂在轻烃芳构化反应中具有良好的催化性能.     

甘草真伪品的FTIR光谱法鉴别研究

采用傅里叶变换红外(FTIR)光谱法并结合二维相关(Two-dimensional correlation spectroscopy)分析技术分别对药用植物甘草(药材对照品)及其伪品刺果甘草进行了无损快速鉴别研究。 结果表明：虽然甘草和伪品刺果甘草都是来源于同一科属,但两者所含化学组分的含量不同,其红外光谱图既有一定的差异,又有一定的相似。 而在红外二阶导数谱图上差异较明显,在二维红外谱图的差别不但较明显而且很直观。 凭借这些差异,可方便地进行真伪鉴别,同时还进一步表明了这两种甘草药材中化学组分之间的差异。 该法无损,快速,准确,样品量少,为客观评价中药材的来源,真伪,优劣等提供了一种新的方法和手段。     

Highly selective detection of nitroaromatic explosive 2,4,6-trinitrophenol (TNP) using N-doped carbon dots

Research on Chemical Intermediates - Water-soluble fluorescent carbon dots (C-dots) were prepared by a hydrothermal process using guanine as the sole carbon and nitrogen source. The as-prepared...     

扁球旋转大气阻力对人造卫星运动的影响

描述了在地球扁率和大气阻力联合作用的人造卫星运动。导出了系统的哈密顿运动方程，其中包括括直到J4的重力热带调和函数的阻力加速度。大气模型采用带扁椭球旋转模型，随着离地距离的增加，大气旋转滞后于地球旋转，首先，借助两次正则变换，接连消去短期项和长期项求得无阻力问题的解，然后再定义一个算子，并利用无阻力问题中带“两撇形式的变量”，给出求解阻力速度的公式。     

平面边界前Stokes流动基本的奇异性

利用双调和函数A和调和函数B，给出了三维Stokes流动速度场和压力场的描述．由此建立了计算区域边界为固定无滑移平面边界Stokes流动基本奇异性的一般定理．刚性平面前轴对称Stokes流动的Collins定理成为本定理的特例．给出的几个例证说明了方法的有效性．     

磁场对具有压力梯度的低频振荡自然对流的影响

研究了磁场对具有非定常压力梯度的振荡自然对流的影响．假设流体是在两平行板内流动．由于在航天材料中的重要性，重点研究在微重力作用下由于矿振荡器诱发的低频振荡自然对流．得到了在非定常磁场下的振荡流体的一般解．还给出了一些特殊的振荡流和对作用磁场的响应．发现振荡流的性质依赖于频率、驱动浮力的振幅、温度梯度、磁场、壁面的导电情况．当没有磁场时，浮力在驱动流体振荡中起主导作用，并且速度的大小还受温度梯度的影响．为了控制振荡流，可以应用外磁场．还发现：当壁面是导体时，速度的减小与作用磁场的平方成反比；当壁面是绝缘体时，速度的减小与作用磁场成反比．一些详细的计算结果反映了真实的状态．     

One-pot access to a privileged library of six membered nitrogenous heterocycles through multi-component cascade approach

The presence of heterocycles and heteroaromatics as ubiquitous components in a diverse variety of synthetic drugs, biologically active molecules, and natural products has inspired the researchers to develop new strategies and technologies for their easy accessibility. Among them, six membered nitrogenous heterocycles gained immense interest, and significant efforts have been made to the development of synthetic strategies which could lead to the discovery of architecturally complex and diverse molecules with high efficiency, low cost, less organic waste and shorter reaction time. Access to such systems by one-pot multi-component approach with inherent advantages of step-economy, operational simplicity, synthetic efficiency, and environmental compatibility is particularly attractive. The current review article highlights the recent developments in the synthesis of six membered nitrogen-containing heterocyclic scaffolds through one-pot multi-component assembly approach.