用表面等离子共振仪进行生物分子相互作用研究的评述

表面等离子共振仪是测量生物分子问交互作用最为有效的手段之一，但多数实验数据是在不精确的实验设计下获得的，通过对用传统方法来优化试验设计、提高仪器灵敏度进行了总结，并对获得精确蛋白质相互作用动力学信息的新方法进行了讨论。     

Arsenic in marine tissues — The challenging problems to electrothermal and hydride generation atomic absorption spectrometry

Analytical problems in determination of arsenic in marine tissues are addressed. Procedures for the determination of total As in solubilized or extracted tissues with tetramethylammonium hydroxide and methanol have been elaborated. Several typical lyophilized tissues were used: NIST SRM 1566a ‘Oyster Tissue’, BCR-60 CRM ‘Trace Elements in an Aquatic Plant (Lagarosiphon major)’, BCR-627 ‘Forms of As in Tuna Fish Tissue’, IAEA-140/TM ‘Sea Plant Homogenate’, NRCC DOLT-1 ‘Dogfish Liver’ and two representatives of the Black Sea biota, Mediterranean mussel (Mytilus galloprovincialis) and Brown algae (Cystoseira barbata). Tissues (nominal 0.3 g) were extracted in tetramethylammonium hydroxide (TMAH) 1 ml of 25% m/v TMAH and 2 ml of water) or 5 ml of aqueous 80% v/v methanol (MeOH) in closed vessels in a microwave oven at 50 °C for 30 min. Arsenic in solubilized or extracted tissues was determined by electrothermal atomic absorption spectrometry (ETAAS) after appropriate dilution (nominally to 25 ml, with further dilution as required) under optimal instrumental parameters (pyrolysis temperature 900 °C and atomization temperature 2100 °C) with 1.5 μg Pd as modifier on Zr–Ir treated platform. Platforms have been pre-treated with 2.7 μmol of zirconium and then with 0.10 μmol of iridium which served as a permanent chemical modifier in direct ETAAS measurements and as an efficient hydride sequestration medium in flow injection hydride generation (FI-HG)–ETAAS. TMAH and methanol extract 96–108% and 51–100% of As from CRMs. Various calibration approaches have been considered and critically evaluated. The effect of species-dependent slope of calibration graph or standard additions plot for total As determination in a sample comprising of several individual As species with different ETAAS behavior has been considered as a kind of ‘intrinsic element speciation interference’ that cannot be completely overcome by standard additions technique. Calibration by means of CRMs has given only semi-quantitative results. The limits of detection (3σ) were in the range 0.5–1.2 mg kg^− 1 As dry weight (wt.) for direct ETAAS analysis of extracts in both TMAH and MeOH. Within-run precision (RSD%) was 5–15% and 7–20% for TMAH and MeOH extracts at As levels 4–50 mg kg^− 1 dry wt., respectively.     

Paper-based diagnostic platforms and devices

Paper-based analytical devices have become lately “must have” components in equipment and instrumental designed for point-of-care applications, especially when they are used in tandem with microfluidic platforms. Nowadays, paper-based electrochemical devices (PEDs) represent the first choice in the development of lab-on-a-chip biosensors because of their benefits in biomedical diagnosis in terms of simplicity, affordability, portability, and disposability. Moreover, cellulose is a biodegradable and biocompatible substrate, ideal for building disposable devices for use in remote locations or low-resource settings. Despite their low costs and simplicity, PEDs must face a tough challenge—meeting the affordable, sensitive, specific, user-friendly, rapid and robust, equipment-free, and deliverable to end users criteria. The latest achievements in microfluidic PEDs for clinical diagnosis will be critically discussed, putting emphasis on innovative assay formats and methods for surface modification.     

含氮铸铁光谱分析标准物质的研制

介绍一套含氮铸铁光谱分析标准物质的研制过程。结果表明，采用独特铸造工艺研制的该套含氮铸铁光谱分析标准物质具有良好的均匀性、成线性和稳定性，由9家实验室协同定值，确定了C、Si、Mn、P、S、Cr、Ni、Cu、V、Ti、Mo、Mg、Al、La、Sn、Ce、N等17种元素的标准值及其不确定度，定值准确、可靠。     

高温燃烧水解-离子色谱法测定煤中的氟和氯

建立高温燃烧水解-离子色谱法测定煤中氟和氯含量的方法。间隔测量煤标准物质和待测煤样,以煤标准物质特性量值的变化扣除系统漂移的影响,提高了测定结果的准确度和重复性。氟含量在0.042~2.018μg/mL范围内与其色谱峰面积呈良好的线性关系,线性相关系数r=0.995 8,检出限为0.011μg/g,测量结果相对标准偏差为6.32%(n=6);氯含量在0.046~2.292μg/mL范围内与其色谱峰面积呈良好的线性关系,线性相关系数r=0.999 8,检出限为0.010μg/g,测量结果的相对标准偏差为0.7%(n=6)。用该方法对煤标准物质进行测定,氟、氯测定结果与标准值一致。该方法简便快速,灵敏度高,结果准确,可用于煤中氟和氯含量的测定。     

An extensive study of transformation of the diatomics Hamiltonian operator from laboratory‐ to body‐fixed frame

Transformation of the diatomics Hamiltonian operator from the laboratory‐ to body‐fixed frame has been performed in great mathematical details by two methods: the method in which the transformation is performed directly using the chain rule of differentiation and the method in which the generalized form of multidimensional Laplacian operator is used as the starting point. To investigate the influence of the electronic spins on the motion of the molecule, the electronic spin variables are defined in the two frames and included in the transformations. © 2015 Wiley Periodicals, Inc.     

喹啉加氧酶中氧气扩散的通道分析

通过生物信息学分析、量化计算优化、CAVER和MDpocket预测、随机加速分子动力学及伞状抽样动力学模拟等方法,对喹啉加氧酶(HOD)中的氧气扩散途径进行了计算预测.结果表明,氧气在HOD中的反应位点包埋在蛋白内部,而HOD中有数条可能的通道供氧气进出,其中长度最短的通道具有最高的优先度,不仅在随机加速动力学模拟中具有最高的氧气逸出概率,而且伞状抽样方法计算得到的自由能也最低.此通道的内端位于底物Re面的氧气结合位点,较好地解释了HOD的相关实验数据.     

[WS3Cu2]簇基超分子框的组装、结构及其三阶非线性光学响应

将二(4-吡啶)硫烷(L₁)、4，4''-二(4-吡啶)二苯甲酮(L₂)分别与(Et₄N)(Tp*WS₃)(A)(Tp*=三(3，5-二甲基吡唑)氢合硼酸根)和[Cu (MeCN)₄]PF₆进行反应，得到2个W/Cu/S簇基超分子化合物[Tp*WS₃Cu₂(L₁)]₂(PF6)2·2MeCN·2CHCl₃(1·2MeCN·2CHCl₃)和[Tp*WS₃Cu₂(L₂)(MeCN)]₂(PF₆)₂·4MeCN (2·4MeCN)。对配合物1·2MeCN·2CHCl₃和2·4MeCN分别进行了单晶X射线衍射、核磁、质谱、红外、紫外可见和元素分析表征。单晶X射线衍射分析表明，它们是由2个L₁/L₂配体连接2个[Tp*WS₃Cu₂]⁺簇核形成的阳离子型簇基超分子框。核磁氢谱和高分辨电喷雾离子化质谱(HRESI-MS)证明它们在溶液中具有一定的稳定性。并利用Z扫描技术测试了超分子化合物1·2MeCN·2CHCl₃和2·4MeCN溶液的三阶非线性光学特性，测试结果表明它们的三阶非线性光学响应强于前驱体A。     

标准物质在商检分析实验室中的应用

介绍了标准物质在商检分析实验室的质量管理和实验室认可工作中的应用。     

Proficiency tests to evaluate commercially available IVD kits for glucose and cholesterol measurements

The first proficiency testing round 630-IL-1002, was carried out with a Reference Material DMR-180a with reference values obtained by using gas chromatography isotope dilution mass spectrometry methods, in which glucose, cholesterol and creatinine were measured. The serum pool was obtained from blood donors and all the analytes were at the normal concentration in Mexican population. The laboratories participants used different field methods to measure the analytes. The Mexican compulsory standard NOM-064-SSA1-1993 “specifications for equipments in vitro diagnostic (IVD)” requests 5% precision and 5% maximum bias of the IVD equipments in the measurements of analytes like glucose and cholesterol. The results obtained by field laboratories in the proficiency testing round are compared to the reference value and uncertainty provided by the National Metrology Institute (CENAM). The quality of measurements is dependent not only on the laboratory competence but also on the methods used by those commercially available IVD kits. It is concluded that quality assessment of measurements in clinical laboratories should be critically evaluated by using stable and certified reference materials. Presented at MEFNM 2008, September 2008, Budapest, Hungary.