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Performance of a next generation vial autosampler for the analysis of VOCs in water matrices 用于分析水基质中挥发性有机物的下一代小瓶自动进样器的性能
Pub Date : 1999-10-01 DOI: 10.1016/S1381-141X(99)00006-4
Ed Price

In today's laboratories, increased efficiency and productivity are of extreme importance. Equally important is the ability to automate analyses without sacrificing sample integrity or data quality. A new vial autosampler has been developed to fully automate purge and trap analysis of water and wastewater samples in accordance with current EPA methods for volatile analysis. Research is presented demonstrating the autosampler's ability to transfer sample aliquots with the addition of internal standard or surrogate solutions. Data are evaluated for linearity, precision, and accuracy. In addition, the instrument's sample pathway is evaluated for carryover, inertness, and reliability.

在当今的实验室中,提高效率和生产力至关重要。同样重要的是在不牺牲样本完整性或数据质量的情况下实现分析自动化的能力。已经开发了一种新的小瓶自动进样器,以根据当前EPA的挥发性分析方法,完全自动化水和废水样品的吹扫和捕集分析。研究证明了自动进样器在添加内标或替代溶液的情况下转移等分试样的能力。对数据的线性、精度和准确性进行评估。此外,还对仪器的样本路径进行了携带、惰性和可靠性评估。
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引用次数: 0
Design and positioning of a reference information model for clinical laboratories 临床实验室参考信息模型的设计与定位
Pub Date : 1999-10-01 DOI: 10.1016/S1381-141X(99)00009-X
H.M.J. Goldschmidt , M.J.T. Cox , R.J.E. Grouls , W.A.J.H. Van de Laar , G.G. Van Merode

Clinical laboratories produce on a daily basis huge amounts of data, i.e., test results of chemical determinations. The production and the use of these data should be extremely well structured. This and the urge to improve quality was the reason to design a reference information model for clinical laboratories, abbreviated as RILA. A software toolbox facility was used to the design. RILA can be used in any clinical laboratory, but it can also be made laboratory situation-specific. This is done through the implementation of location-specific and detailed information concerning procedures, instruments, capacities, etc. By doing this, the interaction with the laboratories environment has to be defined as well. Certain application areas such as total quality management, workflow analysis and cost analysis can be facilitated through the implemented reference information model. Furthermore, RILA has to be positioned at a proper location with regard to the existing hospital and laboratory automation modules.

临床实验室每天都会产生大量的数据,即化学测定的测试结果。这些数据的产生和使用应该有非常好的结构。这和提高质量的冲动是为临床实验室设计参考信息模型的原因,简称RILA。设计中使用了一个软件工具箱。RILA可以用于任何临床实验室,但也可以针对实验室情况。这是通过实施与程序、仪器、能力等相关的特定地点的详细信息来实现的。通过这样做,还必须定义与实验室环境的互动。某些应用领域,如全面质量管理、工作流程分析和成本分析,可以通过实施的参考信息模型来促进。此外,RILA必须位于与现有医院和实验室自动化模块相关的适当位置。
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引用次数: 1
A new approach to computer-aided molecular structure elucidation: the expert system Structure Elucidator 计算机辅助分子结构鉴定的一种新方法:结构鉴定专家系统
Pub Date : 1999-10-01 DOI: 10.1016/S1381-141X(99)00002-7
M.E Elyashberg , K.A Blinov , E.R Martirosian

This article concerns a new expert system for elucidating structures of organic compounds from their spectra, where two principally different molecular generators are used. The system is based on a database of 13C NMR spectra (135,000 structures), a library of molecular fragments and their 13C NMR subspectra (more than 400,000) and a library of spectrum-to-structure correlations for both NMR and IR spectra. At the first stage, the system tries to automatically determine the structure of the unknown compound using fragments taken from the library of 13C NMR spectra. The structures are generated by joining fragments that have common atoms. Knowledge of the molecular mass and the molecular formula is not needed for this stage. In case of failure the program automatically determines the molecular formula from the molecular mass (different formulas can have the same mass) and then forms the sets of fragments. The structures are generated with the help of another generator designed for constructing structures from non-overlapping fragments. The libraries of spectrum-to-structure correlations are used for determination of the molecular formula as well as for spectral filtration of fragments and structures. The most preferable structure is selected by predicting 13C and 1H NMR spectra. Some examples of problem solution are cited.

本文涉及一种新的专家系统,用于从有机化合物的光谱中阐明其结构,其中使用了两种主要不同的分子发生器。该系统基于13C NMR光谱数据库(135000个结构)、分子片段及其13C NMR子谱库(超过400000个)以及NMR和IR光谱的谱-结构相关性库。在第一阶段,该系统试图使用从13C NMR光谱库中提取的片段来自动确定未知化合物的结构。这些结构是通过连接具有共同原子的片段而产生的。这个阶段不需要分子质量和分子式的知识。如果失败,程序会根据分子质量自动确定分子式(不同的分子式可以具有相同的质量),然后形成碎片集。这些结构是在另一个生成器的帮助下生成的,该生成器设计用于从非重叠片段构建结构。光谱与结构相关性的库用于确定分子式以及用于碎片和结构的光谱过滤。通过预测13C和1H NMR光谱来选择最优选的结构。列举了一些解决问题的例子。
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引用次数: 32
A new approach to computer-aided molecular structure elucidation: the expert system Structure Elucidator 计算机辅助分子结构解析的新方法:专家系统structure Elucidator
Pub Date : 1999-10-01 DOI: 10.1016/S1381-141X(99)00002-7
M. Elyashberg, K. Blinov, E. R. Martirosian
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引用次数: 32
Contents volume 33 目录第33卷
Pub Date : 1998-10-01 DOI: 10.1016/S1381-141X(98)80012-9
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引用次数: 0
Subject index volume 33 主题索引第33卷
Pub Date : 1998-10-01 DOI: 10.1016/S1381-141X(98)80011-7
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引用次数: 0
Management attitudes in laboratory automation projects and quality programmes 实验室自动化项目和质量计划的管理态度
Pub Date : 1998-10-01 DOI: 10.1016/S1381-141X(98)80007-5
J.M. Andrade , R.D. McDowall

For laboratory automation and quality schemes to succeed, there must be management commitment to the project. To get significant improvements in laboratory performance, critical changes are needed which require open-minded and team approaches. Unless this happens, the project will fail. This paper explores the reasons why older style managers fail to support these projects. Radical changes in management are proposed; from direction to teamwork and commitment; from power to delegated authority and empowerment. This already happens in the leading companies, but many organisations have older management styles which should change.

为了使实验室自动化和质量计划取得成功,必须对项目做出管理承诺。为了显著提高实验室性能,需要进行关键的变革,这需要开放的团队方法。除非发生这种情况,否则该项目将失败。本文探讨了老一辈管理者未能支持这些项目的原因。提议对管理进行根本性改革;从指导到团队合作和承诺;从权力到授权和授权。这种情况在领先的公司中已经发生了,但许多组织的管理风格已经过时,应该改变。
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引用次数: 0
Implementation of a ‘standard’ LIMS “标准”LIMS的实施
Pub Date : 1998-10-01 DOI: 10.1016/S1381-141X(98)80008-7
Svend Martin Fransen, Allan Nyrup

This article is an extract of a presentation given at the LIMS conference in the Hague June 4, 1997 [S.M. Fransen et al., Presentation given at the conference LIMS 97, June 4 1997 in the Hague.]. It describes the project steps for the LIMS project in the Danish company Novo Nordisk, with focus on vendor evaluation, validation and implementation of a ‘Standard’ LIMS software. The main project steps are described and experiences gained are discussed.

本文摘录了1997年6月4日在海牙举行的LIMS会议上所作的演示[S.M.Fransen等人,1997年6日在海牙LIMS97会议上所做的演示]。它描述了丹麦诺和诺德公司LIMS项目的项目步骤,重点是供应商评估、验证和实施“标准”LIMS软件。介绍了项目的主要步骤,并讨论了取得的经验。
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引用次数: 4
Development of a fully integrated microdistillation flow injection system for the determination of trace level ammonia 用于痕量氨测定的全集成微蒸馏流动注射系统的研制
Pub Date : 1998-10-01 DOI: 10.1016/S1381-141X(98)80005-1
C. Chow, R. Lane, T. Yeow, D. Davey, D. Mulcahy
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引用次数: 2
Implementation of a ‘standard’ LIMS 实施“标准”LIMS
Pub Date : 1998-10-01 DOI: 10.1016/S1381-141X(98)80008-7
Svend Martin Fransen, A. Nyrup
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引用次数: 4
期刊
Laboratory Automation & Information Management
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