Data base software, information

Access to a 2,700 chemical data base with hazard information, precautions, and health effects. Menu-driven software. 

Although each of the commercially available computer-based vibration monitoring systems has unique features and formats, the information contained in this chapter is applicable to all of the systems. However, the manual provided by the vendor should be used in conjunction with this chapter to ensure proper use of the microprocessor-based data collection analyzer and the computer-based software. 

Due to its modularity, the software comes in many parts (shown in Fig. 9). The Chemkin package is composed of four important pieces the Interpreter, the Thermodynamic Data Base, the Linking File, and the Gas-Phase Subroutine Library. The Interpreter is a program that first reads the user s symbolic description of the reaction mechanism. It then extracts thermodynamic information for the species involved from the Thermodynamic Data Base. The user may add to or modify the information in the data base by input to the Interpreter. In addition to printed output, the Interpreter writes a Linking File, which contains all the pertinent information on the elements, species, and reactions in the mechanism. 

The first reference material data base was established in 1984. Using what was then state of the arf software [dBASE 3 and Clipper ] the Code of Reference Materials (COMAR), was developed. By the release of the last edition at the beginning of 1999 it contained information on more than 10 000 RMs from over 200 producers in over 20 countries. 

The semiconductor industry makes heavy use of manufacturing data to provide ongoing quality control information. RS/1 is used as the central software tool to tie together a number of different data bases and software systems to make the data available for graphing and analysis. 

The CD-ROM version of the data base can be efficiently searched with a menu-driven type of software called Search Express. It allows one to search with Boolean expressions as well as individual words and/or frequency of hits as a function of the number of documents retrieved on a given topic. Numerous searchable fields have been included, allowing one to retrieve information by a variety of means, for example, the compound name the chemical registry number, the amount of material released into the air, water, or land the location of the site of release and the SIC code of the releasing party. One can also employ ranging methods with available numeric fields and sorting of output. 

Pollution and Toxicology (POLTOX). This CD-ROM library also focuses our attention on environmental health and safety concerns. Scientists working in any industry or capacity that deals with toxic or potentially toxic chemicals will find it very useful. It allows one access to seven major data bases in this field in a single search through its use of linking features in its software. The distributors of this product have provided us with a spectrum of information dealing with toxic substances and environmental health. 

If the laboratory worker does not know of a reference to the preparation of a commercially available substance, he may be able to make a reasonable guess at the synthetic method used from published laboratory syntheses. This information, in turn, can simplify the necessary purification steps by suggesting probable contaminants. However, for other than macromolecules it is important that at least the NMR and IR spectra of the substance be measured. These measurements require no more than two to three milligrams (which are recoverable) of material and provides a considerable amount of information about the substance. Three volumes on the NMR spectra [C.J.Pouchert and J.Behnke, The Aldrich Library of C and FT-NMR Spectra, Vols 1—3, Aldrich Chemical Co., Inc, Milwaukee, Wl, 1993], and one on the infrared spectra [C.J.Pouchert, The Aldrich Library of FT-IR Spectra, 3nd ed, Aldrich Chemical Co., Milwaukee, Wl, 7959], as well as computer software [FT-IR Peak-search Data Base and Software, for Apple HE, IIC and II Plus computers and for IBM PC computers, Nicholet Instruments, Madison, Wl, 1984] contain data for all the compounds in the Aldrich catalogue and are extremely useful for identifying compounds and impurities. If the material appears to have several impurities these spectra should be followed by examination of their chromatographic properties and spot tests. Purification methods can then be devised to remove these impurities, and a monitoring method will have already been established. 

These cross-referenced numbers are the key to the electronic relational data bases. Key field data and sample storage data are entered into location and sample number files in QUIZ Software (4). Laboratory analysis information is contained in files generated using Perkin-Elmer Laboratory Information Management System (LIMS) and Chromatographic Laboratory Analysis System (CLAS) software. 

Explain how you would design a data base to display information about the atomic numbers, atomic masses, the number of subatomic particles, and the number of electrons in the outer energy levels of the main-group elements. If you have access to spreadsheet software, construct this table. 

The crystallographic data explosion. A consequence of the development of the direct methods of crystal structure analysis combined with automation of the experimental measurements has been the dramatic increase in the number of crystal structure analyses reported, as illustrated in Fig. 1.6. Fortunately, this explosion in crystallographic data has been accompanied by the development of data bases where this vast amount of structural information at atomic resolution is stored. Equally important has been the computer software development, whereby this information can be retrieved in forms appropriate to the interests of the interrogators of the data bases [39, 40]. 

CHEM-I LY Environmental Communications Consultants, Inc. 1759 Sharwood Place Crofton, MD 21114 (301) 858-0332 (301) 793-0622 Provides brief regulatory information for RCRA, OSHA, and SARA compliance also full text. Access to a 2,700 chemical data base with hazard information, precautions, and health effects. Menu-driven software. 

In the next decade, we should expect two new modes of information retrieval to be implemented and available for an individual. With the widespread introduction of modems and communication software, potential users will be able to deal directly with data base vendors, both profit and nonprofit, at reasonable cost via local phone... 

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