Analytical Instruments Association

In this article the two most modem standard formats will be addressed. The text will deal with the standards produced by the Joint Committee on Atomic and Molecular Physical Data (JCAMP) and those of the Analytical Instruments Association (AIA). In a short article such as this there is not enough space to attempt a full description of either the format types or their potential. If you wish to implement these standards or to understand more about the standards you already have in use it is essential to refer back to the original literature cited herein. 

AIA = Analytical Instruments Association AFFN = ASCII free format numeric API = application programming interface ASDF = ASCII squeezed difference form ASMS = American Society of Mass Spectrometry ASTM = American Society for Testing and Materials CCDB = Committee on Chemical Databases CDF = common data form CPEP = Committee on Printed and Electronic Publications CS = chemical structure EPA = United States Environmental Protection Agency lUPAC = International Union of Pure and Applied Chemistry JCAMP-DX = Joint Committee on Atomic and Molecular Physical Data - Data Exchange LDR = labeled data record netCDF = network common data form SMD = standardized molecular data UCAR = University Corporation for Atmospheric Research XDR = external data representation. 

The Analytical Instruments Association (AIA) is a trade organization of manufacturers of analytical laboratory instruments and related products and services in the field of chemical and biomolecular analysis. A task group set up by the AIA investigated the requirement for a data exchange standard between laboratory instruments and reported that such a development would benefit both the users and the vendors themselves. 

The Analytical Instrument Association. 225 Reinekers Lane, Suite 625, Alexandria, VA 22314, USA. 

The Analytical Instrument Association (AIA) created a netCDF-based Analytical Data Interchange (ANDI) format for chromatography that received widespread acceptance. After this success, the AIA adopted a standard for mass spectroscopy in 1993 and began definitions for infrared and NMR. This mass spectroscopy standard, although supported by a few vendors, has not received wide usage and the infrared and NMR definitions have not been implemented. 

More powerful computers. Associated with analytical instruments, computers have provided the latter with many new possibilities. 

The need to develop new materials for electrophoretic analysis and macromolecular separations prompted by the needs of the human genome project and the rapidly advancing fields associated with biotechnology, advances in the development of new analytical instrumentation—especially capillary electrophoresis, and practical limitations of the media currently used for gel electrophoresis [73]... 

The computer age has brought about considerable innovation in the operation of laboratory instrumentation. One consequence of this is the wider acceptance and utilization of the optical microscope as a quantitative analytical instrument. A brief literature survey illustrates the diversity of disciplines and optical methods associated with the development of computer interfaced optical microscopy. This is followed by a description of how our methods of fluorescence, interferometry and stereology, nsed for characterizing polymeric foams, have incorporated computers. 

Many automated analytical instruments have been used to reheve laboratory technicians from routine work and thus increase their productivity. These instruments are well suited to hospital and factory laboratories, where the same analyses are performed every day. In more sophisticated laboratories, especially research laboratories, where the day-to-day analyses change, amore versatile instrument is needed. Robots in these laboratories will solve the problems arising from the non-versatility of automated instruments. The ability of a robot to do repetitious or dangerous work, with little or no external intervention, allows almost continuous generation of data and thus increases productivity, while decreasing the costs associated with having a human do the same work. 

Settle [2] has described the evolution of analytical instrumentation over five generations. First-generation instruments consisted of simple devices such as burettes and balances, in which the analyst obtained data, point by point, through manual and visual interaction with the device. Fig. 8.2. After manual manipulations, analysts recorded values associated with visually significant effects, such as colorimetric end-points. The analyst was totally involved in all aspects of determination. 

MICHAEL LEVIN is President and CEO, Metropolitan Computing Corporation (MCC), East Hanover, New Jersey, specializing in process analytical instrumentation as well as data acquisition and control systems for tablet presses, mixers, roller compactors, and other equipment. Prior to forming MCC in 1985, he was a consultant to pharmaceutical companies such as Merck, Sandoz, and Warner-Lambert. A member of the American Association of Pharmaceutical Scientists, the International Society for Pharmaceutical Engineering, and the Biomedical Engineering Society, Dr. Levin received the Ph.D. degree (1985) in biomathematics from the University of Washington, Seattle. 

Advantages of this analytical instrument include (1) analysis can be confined to very small (microsamplcs) amounts of materials (2) the particular material to be analyzed need not be physically separated from its surrounding materials, as is often required with many analytical methods and (3) through the development of associated instrumentation, diagnostic techniques, and information displays, the method can be quite fast. Limits of detection in solid solution are from approximately 0,005 to 0.5%, depending upon the elements and sample matrixes involved. See Fig. 5. Concentrations as low as 10-16 gram may be measured. 

The main purpose of this paper is to explore the robustness of SFE as an analytical technique. To do this, we have used guidelines published by the AOAC (14), Association of Official Analytical Chemists, as a way to define and measure contributors to method robustness. In particular, method robustness can be characterized by the reliability of the analytical instrumentation employed and the precision (variability) of the results. In the "Results and Discussion" section, anecdotal information will be presented as an indication of instrumentation reliability and many studies will be summarized to provide precision data for the factors of replicability, repeatability, and reproducibility. 

Once the sample preparation is complete, the analysis is carried out by an instrument of choice. A variety of instruments are used for different types of analysis, depending on the information to be acquired for example, chromatography for organic analysis, atomic spectroscopy for metal analysis, capillary electrophoresis for DNA sequencing, and electron microscopy for small structures. Common analytical instrumentation and the sample preparation associated with them are listed in Table 1.1. The sample preparation depends on the analytical techniques to be employed and their capabilities. For instance, only a few microliters can be injected into a gas chromatograph. So in the example of the analysis of pesticides in fish liver, the ultimate product is a solution of a few microliters that can be injected into a gas chromatograph. Sampling, sample preservation, and sample preparation are... 

The current availability of small portable 14 MeV neutron generators and the future availability of high intensity 252Cf spontaneous fission neutron sources will certainly result in the wide spread use of activation techniques for non-destructive "on-stream" product analysis in industry. The cost of the required instrumentation for many types of activation analysis is not excessive, as compared to the cost of other modem analytical instrumentation. The simple off-on operation of the new sealed-tube neutron generators and minimal maintenance associated with the use of an isotopic Z5ZCf neutron source will permit operation of the analytical facility with technician-level personnel. The versatility of the activation technique justifies its inclusion among the other major analytical techniques employed in any modem analytical facility. 

All LIMS functions (e.g., manual data entry, automated data entry, and report generation) should be assessed to evaluate the effect that they could have on the data that will support regulatory submissions and release of product to market. This approach must be methodical to ensure that relevant functionality is not overlooked. It is essential, for instance, that Business Continuity Plans are verified as being appropriate and workable. This testing should cover all aspects of the recovery process from the loss of individual components (e.g., an analytical instrument interface) to the full loss of LIMS (e.g., representing a catastrophic failure of the LIMS server). The criticality of the data associated with the management of Electronic Records and Electronic Signatures should also be a focal point. However, it must be accepted that these assessments can be subjective and therefore they rely heavily on the experience of the assessors. 

Variability in Absorption Estimates In this study, the occurrence of a negative absorption value for one subject and the absence of a significant vitamin C effect raise some questions about the accuracy of the method However, the expected changes in absorption due to dietary treatments may be masked by the analytical variations associated with absorption measurements and biological variabilities of iron absorption Analytical variations can be introduced at several stages of the analytical procedures incomplete fecal collection, inhomogeneous samples, iron contamination, incomplete colorimetric reaction, non-quantitative recovery after chemical ashing, and variations in isotopic measurements due to ion statistics, memory effects, instrument drift, etc Some of these are not as serious as others, for example, contamination with natural iron woiold not affect the estimate of tracer concentrations provided it occurs before the total iron content is measured ... 

Table I. Towed Pumping System In Situ and Associated Analytical Instrumentation...

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