BOOKS
The Status of Spectroscopic Databases Computer-Supported Spectroscopic Databases. Jure Zupan, Ed. viii + 165 pp. John Wiley & Sons, 605 Third Ave., New York, N.Y. 10158. 1986. $49.95 Reviewed by Charles Wilkins, Department of Chemistry, University of California, Riverside, Calif. 92521 This eight-chapter monograph brings together contributions from an internationally recognized group of leaders in the development of spectroscopic databases and interpretive software systems. As with any edited work, the level and quality of the contributions vary, but the book successfully presents the current status of this developing research area. In an engaging introduction, Zupan does an outstanding job of setting the theme for what is to follow. He cautions that databases, like icebergs, have unseen parts that can be dangerous. It is encouraging that this book opens with cautionary statements regarding the potential pitfalls of spectroscopic data collections. Such admonitions are especially needed because the numerous commercial purveyors of these types of collections generally have placed quantity before quality (the former being more profitable than the latter when sold to the unwary).
m w... databases, like icebergs, have unseen parts that can be dangerous. · · The first chapter, by Craig Shelley (Eastman Kodak), provides a useful discussion of the problems involved in computer-assisted spectral interpretation. Shelley makes several important points regarding the need for highquality databases and then describes the intended features of a multispectral structure elucidation software system being developed at Eastman Kodak. This chapter is a good introduction for anyone considering the use of
spectral databases and software for the first time. Dubois and Sobel (Université Paris 7) describe the philosophy behind the elaborate and sophisticated DARC software system, which has been under development for many years. In the following chapter, Zupan and Novic (Boris Kidric Institute of Chemistry, Yugoslavia) discuss the use of hierarchical ordering of chemical databases for ease of interpretation and retrieval. This detailed contribution would probably be of more use to specialists interested in the implementation of such procedures in new software than to the general audience for which the book seems to be intended. At the other extreme, Somberg (Bruker Analytische Messtechnik) presents a simplistic discussion of infrared databases in somewhat strained English. Somberg's chapter ranges from the general and obvious to a detailed discussion of internal chemical structure storage in the Bruker software. The value of this chapter is that it reveals the philosophy behind one instrument manufacturer's approach to an essential database and the software to manipulate it. In several succeeding chapters Passlack and Bremser (BASF), Heller (U.S. Department of Agriculture), and Sasaki and coauthors (Toyohashi University of Technology, Japan) discuss infrared, mass spectral, and nuclear magnetic resonance databases, respectively. Particularly valuable aspects of these discussions are the quality control procedures, which all of the authors consider central to spectral database development. In these chapters the reader encounters the recurring theme of the book: the essentiality of well-defined and usable means of ensuring the high quality of spectral data before they are entered into data banks and the equal need for reliable data error detection and correction methods for spectroscopic databases. In that regard, Heller notes the increasing difficulty of obtaining complete raw data from the scientific literature, along with the trend of reporting partial spectroscopic data selectively. The final chapter, by Hippe (Technical University, Rzeszow, Poland) gives
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a brief overview of the general challenge of multispectroscopy computeraided structure elucidation systems and concludes with a discussion of the author's approach to such a software system. In summary, this book is very readable, and it provides a generally realistic assessment of the current status of spectroscopic databases, including the remaining problems with their development, maintenance, and use. The few typographical errors found in the book are generally minor (e.g., on p. 5, i,)C for 13C; on p. 49, "specta" for "spectra"; and on p. 59, "reprsentation" for "representation"). In view of its overall quality, Computer-Supported Spectroscopic Databases is highly recommended for anyone interested in this increasingly important topic. Handbook of Air Pollution Analysis. Second Edition. Roy Harrison, Roger Perry, Eds. xxii + 634 pp. Chapman & Hall, 29 West 35th St., New York, N.Y. 10001. 1986. $79.95 Reviewed by Roger Jenkins, Analytical Chemistry Division, Oak Ridge National Laboratory, P.O. Box X, MS120, Oak Ridge, Tenn. 37831 This book was first published in 1977 as a comprehensive manual on the theory and practice of air pollution analysis. The second edition updates the various topics in light of technological advances and expands the scope of the book to reflect increasing interest in other areas. In many cases, the editors have succeeded; in others, they have missed the target. Chapter 1 is a good overview of general sampling techniques, particularly the discussion of particle size determination and isokinetic effects. However, I was surprised that there was no discussion of the use of Tenax-GC or XAD-2 as organic vapor trapping media. The number of references dated 1980 or later was minimal, and the discussion of modern collection media was lacking. Chapter 2 appears to be designed to acquaint the novice with meteorological situations that could alter
BOOKS sampling strategy and to encourage seeking the counsel of a qualified meteorologist. Chapter 3 consists of a good, basic overview of air pollution chemistry and includes many up-to-date references. The discussion of particle analysis (Chapter 4) was disappointing. It appears that little effort was expended to update this section, and relatively old references are cited. For example, in the discussion of portable sampling pumps, a 1963 reference is cited. In contrast, the chapters on the analysis of metals and sulfur and nitrogen com-
Handbook of
Air Pollution Analysis SECOND EDITION EDITED BY floy M. Harrison
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pounds are quite good. The critical review of techniques can be very helpful to investigators new to the field. The experimental sections are rich in detail. Although I would not recommend performing the analysis without consulting the original manuscript, I believe it is helpful for the novice to be exposed to the complexity (or lack thereof) in a particular approach. The discussion on the analysis of oxides of nitrogen could have been better updated. For example, many commercially available NO* analyzers no longer use stainless steelbased NO9 converters. The discussion of secondary pollutants (Chapter 7) is also good. It explains the generalities and specifics of analyses of ozone, HNO3, PAN, aldehydes, and so on. I was baffled that there was no description of analysis of aldehydes via dinitrophenylhydrazine derivatization and subsequent HPLC analysis, an approach that is widely used. Chapter 8 describes the determination of organics and carbon monoxide. The discussion generally is up to date, although most of the citations are pre1980. Interestingly, this chapter describes certain advanced instrumental
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BOOKS
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techniques, such as automated thermal desorption, and ignores others, such as sequential or multidimensional chromatography, that might be particularly pertinent to the analysis of complex mixtures. Halogen-containing compounds are addressed in Chapter 9. The discussions of sampling and analytical aspects are very thorough, and the chapter has one of the more recent sets of references. Chapter 10 is an interesting discussion of remote monitoring techniques, mostly related to plume measurement. It was fun to read, in contrast to the chapter on speciation techniques for atmospheric particles. The chapter on precipitation measurement also required considerable energy and concentration. The inclusion of a chapter on lowcost methods of air pollution analysis was a novel idea, but it might have been more appropriate to call it "Basic Considerations in Air Sampling" and to have moved it to the beginning of this edition. Coverage of individual topics in the chapters on planning and executing an air pollution study and quality assurance is so brief that it is of little value other than to remind the reader to consider certain related aspects. My overall impression is that this is a good book for someone new to the field of air pollution measurement or for someone moving into a new area within the field. I would have preferred to have article titles in the references because the book appears to have been designed for collaboration with particular references. This is a book that I would want to have on my bookshelf, but I would not want it to be my only reference source on air pollution.
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Books Received Ion Chromatography. James Tarter, Ed. 448 pp. John Wiley & Sons, 605 Third Ave., New York, N.Y. 10158. 1987. $79.75
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Development of Drugs and Modern Medicines. J. Gorrod, G. Gibson, M. Mitchard, Eds. 669 pp. VCH Publishers, 303 N.W. 12th Ave., Deerfield Beach, Fla. 33442. 1986. $163 Secondary Ion Mass Spectrometry. Basic Concepts, Instrumental Aspects, Applications, and Trends. A. Benninghoven, F. Rudenauer, H. Werner. 1227 pp. John Wiley & Sons, 605 Third Ave., New York, N.Y. 10158. 1987. $150 Organic Pollutants in Water. I. Suffet, Ed. xv + 797 pp. American Chemical Society, 1155 16th St., N.W., Washington, D.C. 20036. 1987. $109.95
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ANALYTICAL CHEMISTRY, VOL. 59, NO. 9, MAY 1, 1987 · 645 A
