Computers in Chemical and Biochemical Research V1

Computers in Chemical and Biochemical Research, Volume 1, is the first of multi-volume series that provides updated information on developments in computer-assisted techniques for chemical and biochemical research. Each volume will include a variety of review articles by expert practicing computer-chemists and biochemists, dealing with a wide array of topics. These will range from delineations of design philosophies and of laboratory computer systems to descriptions of special computer hardware developed to solve specific problems. Also included will be articles discussing algorithms, languages, and programming techniques; articles devoted to the more important applications of digital computer methods to specific problems (e.g., Fourier transform spectrometry, stopped-flow kinetics, automated spectrophotometry); and aticles devoted to techniques for training both graduates and undergraduates in laboratory computing.

The present text contains seven chapters and begins with a description of an educational program on digital computer instrumentation for the chemistry laboratory. Subsequent chapters cover topics such as multiprocessor systems in laboratory automation; a simple computer system for on-line data collection and manipulation in the biochemical laboratory; Fourier transform spectroscopy; and a small computer system used to collect and process data from three electron spin resonance spectrometers at the University of Oregon.

Contenu

List of Contributors
Preface
Training Chemists in Laboratory Computing
I. A Postgraduate Laboratory Course on Digital Computers in Chemical Instrumentation
II. Introduction of Digital Computer Technology into the Undergraduate Chemistry Laboratory
References
Multiprocessor Systems in Laboratory Automation
I. Introduction
II. Computer Facilities Required for Laboratory Automation
III. Laboratory Automation
IV. Summary
V. Glossary
The Mülheim Computer System
I. Introduction
II. Hardware Configuration
III. The Interactive Multi-User Time-Sharing System
IV. Software for On-Line Instruments
V. Status of the System
VI. Computer and Its Consequences
VII. Comparison with Other Systems
References
A Laboratory Computer System for Biochemical Research
I. Introduction
II. General Principles and System Objectives
III. Some Comments about Software
IV. The Computer System
V. Specific Applications
VI. Miscellaneous Applications
VII. Conclusion
References
Fourier Transform Spectrometry in Chemical Research
I. Introduction
II. Fourier Transform Spectroscopy-IR
III. Primary Signal Processing: Getting the Information Through
IV. Applications of Rapid-Scanning Interferometry
V. Fourier Transform Spectroscopy in Nuclear Magnetic Resonance: Basic Concepts
VI. FTS-NMR: Laboratory Computer Systems in Practice
VII. Conclusion
References
The Dedicated Computer in Electron Spin Resonance Spectroscopy
I. Introduction
II. Approach
III. Applications
IV. Prognosis
References
A Practical Computer-Based Information Retrieval System
I. Introduction
II. Types of Information Services Currently Available
III. The General Parameters for a Practical System
IV. Epilog
Appendix I. Afcirs-I Command Language in Backus-Naur Form
Appendix II. The Benchmark Command
Appendix III. Values of Physical Properties and the Value-Form of the Search Command
Appendix IV. Afcirs-II Command Language
References
Author Index
Subject Index