Information transfer, automation

The MOX fuel assembly capsule assay system (FAAS) determines plutonium content in the final assembly contained in a storage capsule. Coupled to the automated capsule transfer system, it provides information about the movements of fuel into and out of the product storage (Menlove et al. 1993). It is designed to assay the complete active zone of the assembly with plutonium loadings up to 10 kg and can accommodate 5 m long capsules that contain the fuel assemblies. The unshielded detector body has 12 He tubes and an efficiency of 16%. In addition, the continuous mode gives a time history of movements of neutron source material in the vicinity. The FAAS is augmented with a surveillance system to meet verification requirements. 

CHEOPS (we tested Version 3.0.1) is a program for predicting polymer properties. It consists of two programs The analysis program allows the user to draw the repeat unit structure and will then compute a whole list of properties the synthesis program allows the user to specify a class of polymers and desired properties and will then try the various permutations of the functional groups to find ones that fit the requirements. On a Pentium Pro 200 system, the analysis computations were essentially instantaneous and the synthesis computations could take up to a few minutes. There was no automated way to transfer information between the two programs. 

This expanded view of task automation includes new capabilities in the the traditional area of instrument automation and in the somewhat newer related field of robotics. In addition it includes a number of functions which are not new to the office and business environment but have only recently become readily available in the laboratory. These are tools such as data base management, scientific text processing, and electronic mail and document transfer. One way to improve technical productivity Is by giving the scientist more time to do science. This can be accomplished through improved efficiency In the office, communication, and information retrieval functions which must be performed as well as by allowing science to be done In new and more efficient ways through the use of computers. 

From these selected references and others, we have confidence that the FDA and USP accept automation in general, and automated dissolution in particular. The references confirm the importance of maintaining the same basic chemistry and adhering to compendium design as closely as possible. This is not only a regulatory consideration but also one of practicality. It is extremely important that methods can be successfully transferred to other sites and apparatus (automated or otherwise). With this information we may proceed with our functional design of an automated dissolution system. 

Wherever possible, analytical systems are automated and directly interfaced to a laboratory data system. This mainly receives information from an Optical Mark Registration (OMR) system, or from down loaded computer files, and then produces a work schedule which is printed for the analyst and transferred electronically to the instrument. 

The aims of the automation group at LGC were very clear and are shown in Table 1.3. Simphcity was considered to be the best approach, with the minimum number of processes being involved. A more complex approach has many more chances of failure. The total systems approach is defined in Chapter 3. Essentially, it sets out to cover all aspects of the analytical process as defined in Fig. 1.2. It provides for the quahty checks at operator, supervisor and managerial levels, and rehable results transferred in a readily digestible format. The Tar and Nicotine Survey described by Stockwell and Copeland [IS] is a good example of the approach. The total process, from the statistical sampHng pattern through to quahty-controlled data, leads in its final format to results tabulated for public information. 

There are four general modes of operation for LC-NMR on-flow, direct stop-flow, time-sliced and loop collection/transfer. The mode selected will depend on the level and complexity of the analyte and also on the NMR information required. All modes of LC-NMR can be run under full automation for LC peak-picking, LC peak transfer to storage loops or NMR flow cell, and NMR detection [46],... 

Automation of LC-NMR is now at a stage where the operator can inject a sample and leave the HPLC interface to detect and store peaks and the NMR spectrometer to collect one- and two-dimensional data with signal-to-noise-dependent collection. An example of automated loop collection and transfer of closely eluting peaks is shown in Figure 6.38. Structures were deduced from the aromatic peak patterns and LC-MS information. Peaks 1-5 all elute within 5 min with no carry-over present in any of the H spectra. 

The development and widespread use of computers and microprocessors in control laboratory instruments has made it possible to fully automate a laboratory, including interfacing instruments directly to a LIMS. In the fully automated laboratory, a sample is logged into a LIMS, then transferred to a laboratory where it is prepared for analysis by a robot, which then transfers it to an autosampler or analyzer. Once analyzed, the data is transferred through a communications link to a device which could convert the raw data into information that a customer needs. For example, in a simple case, a nmr spectrum could be compared to spectra on file to yield an identification of an unknown. In more complex instances, a data set could be compared to standards and by using pattern recognition techniques the LIMS would be able to determine the source of a particular raw material. Once the data is reduced and interpreted, the LIMS becomes the repository of the information. A schematic for such a fully automated laboratory is shown in Figure 2 (6). 

Large abstracting facilities employ automated methods in the retrieval and transfer of information. A list of on-line computer systems containing bibliographies that include toxicology information is given in Table 9. 

The introduction of the autoprep and MS-prep systems has proved very successful in providing automated isolation for the vast numbers of synthetic chemistry samples now being produced. Autoprep instruments are now installed in fifteen of the chemistry laboratories within our company (on our site alone) and most see daily use. It is not only synthetic chemistry samples that have been run on these systems, indeed the adoption of these instruments has spread through other departments (e.g. Bio-Metabolism. Pharmacy, etc.) [16,17] as well as other countries. The advantages of the MS-prep system mean that these systems are also in constant demand and see virtual round the clock operation. Aside from standard, unattended purifications they can also be used to provide specific scale-up information (e.g. unequivocal identification of the compound of interest in a scaled-up injection of a crude compound) prior to transferring the method to a standard autoprep system or even a lai er-scale, manual preparative system. The power of both instruments as separative tools increases dramatically in the hands of expert users who have intimate knowledge both of the systems and the capabilities within the software. 

One other application is the automation of a method for the determination of total vitamin C in foods [51]. Here, the robotic station is used for homogenization of the sample, weighing, addition of an extractant, centrifugation, filtration and clean-up through a C j( column. After this treatment, the sample is manually transferred to the FI autosampler. A derivatizing reaction is implemented along the FI manifold to obtain a fluorescent product prior to insertion into the spectrofluorimeter. Although not specifically stated, the information produced is also transferred manually between both systems. 

A major advance in the automation of specimen identification in the clinical laboratory has been the incorporation of bar coding technology into analytical systems.In practice, a bar coded label (often generated by the laboratory information system and bearing the specimen accession number) is placed onto the specimen container and is subsequently read by one or more bar code readers that have been strategically placed at key positions in the analytical train. The resultant identifying and ancillary information is then transferred to and processed by the system software. 

The NCCLS has an Area Committee on Automation and Informatics, which oversees the above standards and initiates new standards development projects. Current standards development projects include Data Content for Specimen Identification, Protocols to Vafidate Laboratory Information Systems, and Remote Access to Hospital Diagnostic Devices via tihe internet. In 2002, ASTM transferred to NCCLS the ownership and copyright of aU nine standards in its E31.13 group, including the two standards referenced above. These standards all relate to the clinical laboratory, with some of them simply preceding or overlapping the NCCLS automation standards. NCCLS is now in the process of evaluating which of these standards will be maintained and updated and which may be abandoned. 

Each form should be entered into a computerized database linking forms with voucher numbers. The data entry program can mimic the exart format of the form, with drop-down menus for multiple-choice responses, and it can perform consistency checks as the date is entered. The data entry phase can provide an additional opportunity to detect transfer of vouchers to indirect beneficiaries. Comparing names and surnames with those recorded at the time of distribution can be a first screen, but variations in spelling and the inclusion or exclusion of middle names can make it difficult to automate this process. If information such as the recipient s date of birth was recorded when the vouchers were distributed, it may be a better first screen for voucher transfer. 

Once APMs have been created in the AIMS, a process control and monitoring software (PCMS) module can be constructed that provides for two-way communication between a database that contains the APMs and the instrument control software. This software allows for the retrieval of APM data from the AIMS by a production scientist and transfer to the instmment control software. Electronic transfer of APMs between unit operations in this manner allows for (a) charting of APM progress on the production floor and (b) collection of APM audit data. The PCMS will facilitate maximal process control for the automated chemical synthesis platform. Functionalities for the array information management and process control management software are summarized in Table 3. 

One approach to automate the way of electronically requesting information from other software systems is the concept of service requests, which are mechanisms to create definable requests for external data. Service requests are predefined by key users of the systems, whereas the end-user simply calls a wizard for one of the predefined service requests, fills out the data required by the external software, and sends it to the target software. The wizard application translates the request to XML format, which is typically understood by the SDK of external software. Results from a service request are automatically converted, parsed, and transferred to the inbox by use of configurable software agents. 

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