化学计量保证方案展望

介绍化学计量保证方案的概况、实施程序、作用和意义,展望了化学计量保证方案的前景。     

化学计量中的质量保证

从化学计量的特点出发，根据测量保证原理的基本要求，简述了化学计量中保证量值准确可靠的几个重要环节的过程控制。     

发刊词

化学计量是近年来在计量科学中较活跃的专业之一。它是研究化学计量基、标准器具、标准物质和测量技术,在国际或国家范围内统一化学成份及物理化学特性量值,进行量值传递和保证有关法规正确贯彻     

化学计量一级站量值传递工作及经验

介绍了国防科工委化学计量一级站为保证化学量值的准确与统一,在计量标准建立、标准物质研制、测量方法研究等方面所做的工作和经验。     

化学计量一级站量值传递工作及经验

介绍了国防科工委化学计量一级站为保证化学量值的准确与统一，在计量标准建立、标准物质研制、测定量方法研究等方面所做的工作和经验。     

国防科技工业应用化学一级计量站全国化工标准物质委员会标准物质研究开发中心

<正>国防科技工业应用化学一级计量站(原国防科工委化学计量一级站)是1986年建于中国兵器工业第五三研究所的专业计量技术机构,同时也是兵器非金属材料理化检测中心、国家进出口商品非金属材料认可实验室、国防计量2501校准实验室、全国化工标准物质委员会标准物质研究开发中心。目前,专门从事化学计量的人员196人。其中研究员人、高级工程师32人。拥有各种分析测试仪器150余台,建有国防计量最高标准30余项。主要承担国防科工委化学计量乖研任务;国防系统化学量值传递,计量标准的考核、复查、人员培训;国防大型试验基地现场计量保证;标准物质的研制、定值、发放;进出口非金属材料检验:化学产品测试及未知样品的剖析等。先后完成计量科研课题40余项,有20余项达到巨     

国防科技工业应用化学一级计量站 全国化工标准物质委员会标准物质研究开发中心

<正>国防科技工业应用化学一级计量站(原国防科工委化学计量一级站)是1986年建于中国兵器工业第五三研究所的专业计量技术机构,同时也是兵器非金属材料理化检测中心、国家进出口商品非金属材料认可实验室、国防计量2501校准实验室、全国化工标准物质委员会标准物质研究开发中心。目前,专门从事化学计量的人员196人,其中研究员15人、高级工程师32人。拥有各种分析测试仪器150余台,建有国防计量最高标准30余项。主要承担国防科工委化学计量科研任务;国防系统化学量值传递,计量标准的考核、复查、人员培训;国防大型试验基地现场计量保证;标准物质的研制、定值、发放;进出口非金属材料检验;化学产品测试及未知样品的剖析等。先后完成计量科研课题40余项,有20余项达到国     

关于国防军工化学计量服务军队的思考

介绍国防军工化学计量为军队提供量值传递和溯源服务的现状,分析了军事化学计量面临的主要困难。系统阐述了国防军工化学计量体系构成,并对其化学计量能力进行了分析,提出了为基层军队提供计量服务的思路。国防军工化学计量在标准装置、技术规范、计量器具、技术研发等方面建立了完善的计量体系,具备参数结构全,地域覆盖广等优势,可作为军事化学计量体系的补充和发展,能更好地促进军队的建设和发展。     

化学计量及其进展

扼要介绍了化学计量主要研究内容和量传方法。并从化学计量技术机构,基准、标准装置,标准物质,检定规程和化学计量学等方面,叙述了化学计量的进展概况。     

化学测量仪器检定/校准有关问题的探讨

介绍了化学测量仪器的分类、特点、检定/校准的必要性及化学计量检定/校准的现状,分析了化学计量标准的特点,探讨了化学计量最高标准的划定和考核的有关问题。     

化学计量研究进展

叙述了化学计量的特点、作用和重要性及其研究内容,探讨了标准物质量值传递系统及实现标准物质量值溯源性的途径,阐述了建立化学测量溯源性的重要性、困难性、复杂性及基本设想和途径,并对化学计量中物质的量“摩尔”进行了简要论述。     

化学计量中的不确定度

阐述了化学计量中标准装置、标准物质和测量方法的不确定度的评定,论述了不确定度与溯源性的关系。     

化学计量领域国际间比对的初步探讨

概述了化学计量领域国际间比对的现状、国际间比对在化学计量中的作用并分析了若干国际比对实例。     

理化试验室的分析质量评价

化学计量是理化试验室分析质量保证的基础,没有化学计量,也就没有分析质量保证。本文从五个方面对理化试验室的分析质量评价工作进行了论述。     

四氟乙烯齐聚体的反应 四氟乙烯四、五聚体和芳香胺的反应

前已报道四氟乙烯四聚体(全氟-3,4-甲基己烯-3)(1)、五聚体(全氟-3,4-二甲基-4-乙基己烯-2)(2)和脂肪烷氧以及脂肪胺的亲核反应.本文报道化合物1,2和芳香胺如苯胺、β-萘胺的反应.由于烯烃1、2双键处于分子中间,因而当亲核试剂进攻时,双键容易发生重排,生成的末端基烯烃更具反应性,故导致一取代、二取代、三取代以及环化降解等复杂产物.     

Chemical adaptor systems

"Chemical adaptor systems" are molecules used to link different functionalities, based on unique reactivity that allows controlled fragmentation. Two different mechanistic reactivities were used to prepare chemical adaptor systems. The first is based on a spontaneous intra-cyclization reaction to form a stable ring molecule. Cleavage of the trigger generates a free nucleophile, for example, an amine group, which undergoes intra-cyclization to release the target molecule from the handle part (e.g., a targeting antibody or a solid support for synthesis). The second applied reactivity is an elimination reaction, which is usually based on a quinone-methide-type rearrangement. Similarly, cleavage of the trigger generates a free phenol functionality, which can undergo a self-elimination reaction through a quinone-methide rearrangement to release the target molecule. The adaptor molecules have been applied in the field of drug delivery to release a drug from a targeting device and in the field of solid-phase synthesis to release a synthetic molecule from the solid support. A chemical adaptor molecule has also been used as a building unit to construct dendrimers with a triggered fragmentation.     

Superiority of a new gradient system utilizing a critical threshold for the adsorption capacity of polypeptides to column packing when compared with a standard gradient system for the simultaneous and quantitative analysis of polypeptides

Compared with a standard gradient system, the new gradient system which we developed has a major advantage because it permits a wide range of acetonitrile content, e.g. more than the critical threshold, in the polypeptide solution and allows the quantitative analysis of the polypeptide with satisfactory analytical precision. Additionally, this new gradient system allows the enhancement of the sensitivity of the polypeptide analysis proportionate to the increased volume of solution loaded with the same levels of precision. In contrast, when using a standard gradient system it is difficult to analyze a polypeptide quantitatively with good precision due to either adsorption to various materials or to irregular change in the ratio between a retained and a passed peak of the polypeptide. Additionally, the appearance of a passed peak results in a loss in the sensitivity of the polypeptide analysis, although no adsorption of a polypeptide to various materials occurs in a solution with acetonitrile content more than the critical threshold. Consequently, the new gradient system is effective for the simultaneous and quantitative analysis of different polypeptides with good precision and without any loss of sensitivity due to either adsorption to various materials or the appearance of a passed peak.     

Toward amino acid typing for proteins in FFLUX

Continuing the development of the FFLUX, a multipolar polarizable force field driven by machine learning, we present a modern approach to atom‐typing and building transferable models for predicting atomic properties in proteins. Amino acid atomic charges in a peptide chain respond to the substitution of a neighboring residue and this response can be categorized in a manner similar to atom‐typing. Using a machine learning method called kriging, we are able to build predictive models for an atom that is defined, not only by its local environment, but also by its neighboring residues, for a minimal additional computational cost. We found that prediction errors were up to 11 times lower when using a model specific to the correct group of neighboring residues, with a mean prediction of ∼0.0015 au. This finding suggests that atoms in a force field should be defined by more than just their immediate atomic neighbors. When comparing an atom in a single alanine to an analogous atom in a deca‐alanine helix, the mean difference in charge is 0.026 au. Meanwhile, the same difference between a trialanine and a deca‐alanine helix is only 0.012 au. When compared to deca‐alanine models, the transferable models are up to 20 times faster to train, and require significantly less ab initio calculation, providing a practical route to modeling large biological systems. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.     

Direct introduction of a hydrazide group into a quartz crystal microbalance surface with dodecanoic hydrazide embedded in a hybrid bilayer membrane

Hydrazide group has a potential of immobilizing an antibody on a sensor surface in a way that ensures an optimal orientation and efficiency of the antibody. However, a multi-step chemical process, required for the preparation of a hydrazide group, is a barrier to its extensive application. This paper describes a new method to introduce a hydrazide group to a sensor surface by a one-step process using dodecanoic hydrazide. The method is based on an ability of the dodecanoic hydrazide to be incorporated into a hybrid bilayer membrane (HBM) layer, thereby presenting its hydrazide group to the surface. Liposome containing dodecanoic hydrazide was added to a hydrophobic self-assembled monolayer surface of a quartz crystal microbalance for the formation of a HBM. Then, the hydrazide group, presented in the surface of the HBM layer, was utilized for the oriented immobilization of an antibody via its carbohydrate moiety which was partially oxidized prior to the conjugation reaction. Activity and stable status of the incorporated dodecanoic hydrazide was revealed by the efficiency and reproducibility of the resulting immunosensor chip.     

Spreading and retraction dynamics of smectic liquid crystal domains at interfaces

The spreading of a liquid drop over liquid subphase can be driven by change in interfacial tension mediated through a surfactant, volatile solvent or photoinduced reaction. In contrast to the spreading dynamics of a liquid drop, a liquid crystal drop with anisotropic structure can lead to interesting behaviour due to its viscoelasticity and anchoring at the interfaces. Recently, we have reported studies on unusual spreading and retraction dynamics of a smectic domain doped with a fluorescent dye in the collapsed state of a Langmuir monolayer. Under epifluorescence microscope, during excitation, a stack of layers of the dye-doped smectic domain gets sheared causing the domain to spread asymmetrically. Further, due to line tension, the domain transforms into a circular shape. We also find the domain size to be about twice that of the initial size. Interestingly, in the absence of excitation, the domain retracts to a smaller area. During retraction of the domain, successive generation of edge dislocation loops arising from a nucleus results in an increase in the domain thickness. The dynamics of spreading and retraction of the domain can be understood by invoking changes in the spreading coefficient due to photoinduced modification of the interfacial tension.