Interactions between Human Serum Albumin and Sulfadimethoxine Determined Using Spectroscopy and Molecular Docking

Sulfonamides are widely used antibiotics in agricultural production. However, the potential threat of these drugs to human health has increased global concern. Human serum albumin (HSA) is the main reservoir and transporter of exogenous small molecules in humans. In this study, the interaction between sulfadimethoxine (SMT) and human serum albumin (HSA) was studied using spectroscopy and computer simulation. Our results showed that the hydrogen bonding and van der Waals forces drove SMT to enter the binding site I of HSA spontaneously and resulted in the fluorescence quenching of HSA. The stability of the HSA–SMT complex decreased with an increase in temperature. The binding of SMT to HSA induced alterations in the secondary structure of HSA, where the content of α-helix decreased from 61.0% of the free state to 59.0% of the compound state. The π–π, π–σ, and π–alkyl interactions between HSA and SMT were found to play important roles in maintaining the stability of the complex.     

SigmaPlot软件在化学实验数据处理中的应用

SigmaPlot是功能强大的数据分析和科学绘图软件,通过实例,初步介绍了SigmaPlot处理实验数据的方法和结果。结果表明,用SigmaPlot对实验数据作处理,解决了化学实验中数据多、处理麻烦、手工作图误差大等问题,使处理过程简单、快捷,提高了效率和准确性。     

二芳酮-可聚合胺紫外光引发1,6-己二醇二丙烯酸酯聚合的动力学研究

用Photo-DSC(光差热扫描)研究了一种可聚合胺助引发剂乙二醇-3-吗啡啉丙酸酯甲基丙烯酸酯(EGMPM)分别与二苯甲酮(BP)、4-(4-甲苯硫基苯基)苯基甲酮(BMS)、4-氯二苯甲酮(CBP)、4-氯甲基二苯甲酮(CMBP)、4-羟甲基二苯甲酮(HMBP)等二芳酮组成的光引发体系引发以1,6-己二醇二丙烯酸酯(HDDA)为单体的紫外光聚合动力学.考察二芳酮质量分数、聚合温度、光照强度对其光聚合动力学影响,并评价其引发效果;同时计算出了EGMPM/BP引发HDDA聚合体系的活化能.结果表明,二芳酮的质量分数增加时,反应达到最大反应速率的时间减少,单体的转化率也相应增加,单体聚合速率相应增大;相同质量分数(0.1%)的不同二芳酮,BMS体系达到最大反应速率的时间最短,单体转化率也最高;随着温度和光强的增加,单体最终转化率、最大反应速率增大,达到最大反应速率所需的时间减少.     

有机酸在电感耦合等离子体质谱中基体效应的研究

研究了乙二酸、乳酸、酒石酸和柠檬酸等有机试剂对不同质量和不同电离电位元素电感耦合等离子体质谱信号的影响。结果表明,随着雾化气流速的调节,低浓度有机酸介质对所分析元素具有增强效应,尤其是对电离电位在9～11 eV的Be,Zn,As,Se,Sb和Hg等高电离电位元素的影响。酒石酸的增强效应显著大于乙二酸、乳酸、柠檬酸。探讨了有机酸的增强机理。利用酒石酸对Be,Zn,As,Se,Sb和Hg等的增强特性,测定了水标准物质SRM 1640中的Be,Zn,As,Se,Sb和SRM 1641d中Hg,其测定结果与标准样品提供的标准值基本一致。     

聚乳酸组织工程支架结构的精密调控

采用糖球模板法结合热致相分离技术,制备了孔径尺寸、内连通度及孔隙率高度可控的左旋聚乳酸(PLLA)支架材料,并通过扫描电镜(SEM)、红外光谱(FTIR)以及示差扫描量热法(DSC)对其空间结构及性能进行了系统研究.支架材料孔径从50μm到800μm及内连通孔径从10μm到200μm连续可调,微观孔壁结构根据不同溶剂可形成各异的微纳米结构.支架的制备对PLLA化学结构无显著影响,但相分离过程会不同程度地降低PLLA的结晶度.     

分段滤波用于消除脉搏血氧检测中多种运动干扰的研究

脉搏血氧饱和度检测仪可以无损、实时地检测动脉血液中的含氧百分比,从而快速对人体的呼吸状况以及心肺功能作出判断,但其检测精度极易受到测试部位运动的影响.人体测试部位的运动大致可以分为突发性运动干扰以及周期性的运动干扰.突发性干扰表现在局部脉搏波的波形突变上,而周期性的干扰体现在多个局部脉搏波的波形的周期性变化上.文章有针对性地提出了一种将微分阈值分段与迭带中值滤波相结合的方法来剔除突发扰动的方法,并且在上诉方法上再加上一级多点移动平滑以消除周期性运动干扰.实验证明该方法在消除多种运动伪差上有着较好的效果,且该方法计算简单,易于实现,有着一定的实际应用价值.     

Beam dynamics and RF design of trapezoidal IH-RFQ with low energy spread

Beam dynamics and RF design have been performed of a new type trapezoidal IH-RFQ operating at 104 MHz for acceleration of 14C+ in the framework of RFQ based 14C AMS facility at Peking University. Low energy spread RFQ beam dynamics design was approached by the method of internal discrete bunching. 14C+ will be accelerated from 40 keV to 500 keV with the length of about 1.1 m. The designed transmission efficiency is better than 95% and the energy spread is as low as 0.6%. Combining the beam dynamics design, a trapezoidal IH-RFQ structure was proposed, which can be cooled more easily and has better mechanical performance than traditional RFQ. Electromagnetic field distribution was simulated by using CST Microwave Studio (MWS). The specific shunt impedance and the quality factor were optimized primarily.     

Asymmetric Heat Conduction in One-Dimensional Hard-Point Model with Mass Gradient

The heat conduction in a one-dimensional （1D） hard-point model with mass gradient is studied. Using numerical simulation, we find an asymmetric heat conduction in this model with greater heat current in the direction of mass increase. The increase of temperature gradient, mass gradient and system size axe found to enhance the asymmetric heat conduction. Based on the collision dynamic of a haxd-point particle, we give a qualitative explanation for the underlying mechanism of asymmetric effect.     

污染气体红外光谱鉴别器的优化设计

针对污染气体红外光谱特征分布的复杂性，结合几种线性分类器的特点，通过对每个环节的深入分析，设计出一种混合多叉树状光谱鉴别器。实验结果表明：此光谱鉴别器不仅结构简洁，设计合理，具有很高的分类能力和判别准确率，而且具有较好的灵活性和稳定性，完全满足快速识别的需要，是一种高效的光谱鉴别器。     

X-ray Crystal Structure of a Mononuclear Copper (Ⅱ) Complex with Unusual Monodentate O-coordination of Carboxylate Group of Isonicotinate

Copperproteinsitesareassociatedwithavarietyofvitalbiologicalfunctions,includingelectrontransfer,anddioxygentransportandactivationl.ThelargemolecularweightandcomPlexnatureoftheproteinsmakedetailedstudiesoftheiractivesitesandchemistryverydifficult-Tobetterunderstandtheinherentcoordinationchemistryassociatedwiththeactivesite,syntheticanalogsaremostuseful2.Histidine(imidazole)playskeyrolesinthecatalyticfunctionsofalmostallofthemetalloenzymes.Therefore,complexeswithinddazoleligandsareofinterestast…