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Multivariate calibration
Tahta, Vol. 39. No. 1, pp 93-94, 1992 Printedm Greal Bntam
0039-9140/92 $5.00 + 0.00 PergamonPressplc
BOOK REVIEWS Unified Separation Science: J. C. GIDDINGS, Wiley Interscience,
New York, 1991. Pages xxiv + 320. f43.65.
This book is a distillation of the work of the author and others, on the multifaceted subject of molecular separation which impinges on nearly all the scientific disciplines from the biological to the physical sciences. Although it is clearly written it is by no means for the beginner, but for the graduate with a mathematical background knowledge of physical phenomena. Its stated objective is that it is ‘for the purpose of education and not necessarily to train’. After a general introduction the book is divided essentially into two sections. Chapters one to six review comprehensively the theoretical basis of separation, covering transport, flow and equilibrium phenomena. Many of the concepts and terms pertaining to separation, diffusion, capillary and packed bed dow, viscosity, zone formation, random walk processes, etc., are developed mathematically, although this treatment is balanced with a readable narrative. A bridging chapter rationalizes and classifies the various separation methods, concentrating initially on codification and then on the categorization of flow-assisted separation. Having classified the various techniques, the last five chapters deal with specific classes, utilizing the theoretical concepts developed earlier. Techniques described include electrophoresis, sedimentation, field flow fractionation and an in-depth consideration of chromatography, which covers molecular migration, plate-height and optimization. At the end of each chapter are graded exercises to facilitate the reinforcement of the concepts. Fortunately answers are also provided. Each chapter is well referenced and there is also a comprehensive bibliography containing the author’s publications. In this advanced text the author has succeeded, as the title states, in presenting a unified approach to this complex subject in that the inter-relationships of the mechanisms involved in molecular separations have been examined effectively in detail. G.G. SKELLERN HPLC in Clinical Chemistry: I. N. Canada), $138 (elsewhere).
PAPADOYANNIS,
Dekker, New York, 1990. Pages x + 488. $115.00 (US and
This reference text offers a prominent contribution to the literature on clinical analysis by HPLC and covers a wide range of drugs and biological components. The chapters, which include the subject groups alkaloids, antiobiotics, steroids and proteins, contain considerable experimental detail of literature methodologies reported in relatively recent publications. These aspects cover the topics of clinical sample preparation, multicomponent separation and moreover in some instances, the inclusion of a typical pharmaceutical preparation assay. Additionally there are useful introductory sections, prior to the HPLC text, which discuss other spectroscopic and chromatographic methods and point to advantages and disadvantages of these techniques. Preceding the major text the author has included a preliminary section of introductory information on “Instrumentation in HPLC”. Although this section is generally useful, segments such as septum injection, pneumatic and motor-driven pumps are rather outmoded in modem HPLC. It is considered that micro and narrow bore HPLC columns, multichannel detection, method optimization and automation of clinical assay would have provided useful enhancements. Additionally further discussion in mass spectrometry to include “soft” ionization techniques and reference to quadruple analysers and MS-MS would have been beneficial. However, this is a minor criticism of the book and does not detract from its overall usefulness as a practical reference text. B.J. CLARK Multivariate Calibration: H. MARTENS and T. NAES, Wiley, Chichester, (Hardback), f29.50. (Softback).
1989. Pages xvii +418.
E75.00
The adoption of chemometric methods (statistical procedures which allow otherwise unavailable or nonobvious conclusions to be drawn from the multivariate data typical of modem analytical instruments) is a striking feature of modem analytical science. These methods, like all computer-based procedures, have many pitfalls for the naive or unwary, but the overall effect of their introduction has undoubtedly been positive, and nowhere more so than in the field of calibration. This book covers the methods of multi-variate calibration developed up to 1987-8, including virtually all those now in general use. The book begins with an excellent. often humorously written, chapter on the need for calibration methods; this is worth reading, even by those who do not wish to face the rigours of linear algebra as outlined in the second chapter. The basic principles of matrix and vector manipulation are covered in only a dozen or so pages; this is a little too compressed for the many chemists who will start with little or no knowledge of this area, and I have seen better summaries in other chemometrics texts. The same chapter outlines the basics of statistics as applied to calibration methods. The third chapter, no less than 160 pages long, contains the meat 93
94
BOOK REVIEWS
of the book, including lengthy discussions of principal components regression and partial least squares. Some illustrative chemical examples are given, and if the reader is by this stage fully conversant with matrix notation, erc., this central section of the book will be extremely rewarding. The remainder of the text is also excellent. Chapter 4 deals with the crucial but frequently negIected question of method validation. Chapter 5 covers outlier detection, and it is notable that the authors are not enthusiasts for robust regression methods. Chapter 6 covers the design of calibration experiments, a topic which might seem to have merited earher treatment, but which in practice sits nicely at this juncture. Chapter 7 is an equally successful account of data pre-treatments such as linearization. The book concludes with an illustrative example studied in some detail, and there is also a bibliography, a glossary of symbols and terms, and-for once-an excellent index. Computer programs are not provided, or even recommended, despite the authors’ association with the well-known UNSCRAMBLER package. This book is not, nor is it expected to be, an easy read. However, it covers a compiex and crucial area of data handling supremely well, and must take its place on the bookshelves of all serious analytical scientists. J. N. MILLER Statistical Methods in Applied Chemistry: J. CZERMINSKI,A. IWASIEWICZ,Z. PASZEKand A. SIKORSKI,Elsevier, Amsterdam, 1989. Pages xviii + 493. US% 179.50, Dfl. 350.00 This is a thorough mathemati~l treatment of the science of statistics as applied to chemistry. It covers all the major topics of parametric and non-parametric statistics, e.g., random variables, the various distribution functions, parameter estimation, hypothesis testing, analysis of variance, correlation and regression (multiple linear and non-linear regression are included). Chemical data are used in all the examples. A chapter on “Methodological Guidelines” gives details of the statistical procedures used in particular chemical problems, covering areas such as limit of detection and sensitivity, precision and accuracy, propagation of errors, the effects of rounding errors, and sampling. The final chapter gives two extended examples of data analysis, one for a technological problem and the other for an analytical one. Fourteen usefui tables of statistical data are included, and also a collection of computer programs written in Turbo Pascal, together with some tables of test data. This will be a useful book for the serious research worker, but the mathematics is probably too advanced to make it suitable as a student text-book, even at postgraduate level. The translation is adequate, but could have been greatly improved by a translation editor. M. MASSON
0039-9140/92 $5.00 + 0.00 PergamonPressplc
BOOK REVIEWS Unified Separation Science: J. C. GIDDINGS, Wiley Interscience,
New York, 1991. Pages xxiv + 320. f43.65.
This book is a distillation of the work of the author and others, on the multifaceted subject of molecular separation which impinges on nearly all the scientific disciplines from the biological to the physical sciences. Although it is clearly written it is by no means for the beginner, but for the graduate with a mathematical background knowledge of physical phenomena. Its stated objective is that it is ‘for the purpose of education and not necessarily to train’. After a general introduction the book is divided essentially into two sections. Chapters one to six review comprehensively the theoretical basis of separation, covering transport, flow and equilibrium phenomena. Many of the concepts and terms pertaining to separation, diffusion, capillary and packed bed dow, viscosity, zone formation, random walk processes, etc., are developed mathematically, although this treatment is balanced with a readable narrative. A bridging chapter rationalizes and classifies the various separation methods, concentrating initially on codification and then on the categorization of flow-assisted separation. Having classified the various techniques, the last five chapters deal with specific classes, utilizing the theoretical concepts developed earlier. Techniques described include electrophoresis, sedimentation, field flow fractionation and an in-depth consideration of chromatography, which covers molecular migration, plate-height and optimization. At the end of each chapter are graded exercises to facilitate the reinforcement of the concepts. Fortunately answers are also provided. Each chapter is well referenced and there is also a comprehensive bibliography containing the author’s publications. In this advanced text the author has succeeded, as the title states, in presenting a unified approach to this complex subject in that the inter-relationships of the mechanisms involved in molecular separations have been examined effectively in detail. G.G. SKELLERN HPLC in Clinical Chemistry: I. N. Canada), $138 (elsewhere).
PAPADOYANNIS,
Dekker, New York, 1990. Pages x + 488. $115.00 (US and
This reference text offers a prominent contribution to the literature on clinical analysis by HPLC and covers a wide range of drugs and biological components. The chapters, which include the subject groups alkaloids, antiobiotics, steroids and proteins, contain considerable experimental detail of literature methodologies reported in relatively recent publications. These aspects cover the topics of clinical sample preparation, multicomponent separation and moreover in some instances, the inclusion of a typical pharmaceutical preparation assay. Additionally there are useful introductory sections, prior to the HPLC text, which discuss other spectroscopic and chromatographic methods and point to advantages and disadvantages of these techniques. Preceding the major text the author has included a preliminary section of introductory information on “Instrumentation in HPLC”. Although this section is generally useful, segments such as septum injection, pneumatic and motor-driven pumps are rather outmoded in modem HPLC. It is considered that micro and narrow bore HPLC columns, multichannel detection, method optimization and automation of clinical assay would have provided useful enhancements. Additionally further discussion in mass spectrometry to include “soft” ionization techniques and reference to quadruple analysers and MS-MS would have been beneficial. However, this is a minor criticism of the book and does not detract from its overall usefulness as a practical reference text. B.J. CLARK Multivariate Calibration: H. MARTENS and T. NAES, Wiley, Chichester, (Hardback), f29.50. (Softback).
1989. Pages xvii +418.
E75.00
The adoption of chemometric methods (statistical procedures which allow otherwise unavailable or nonobvious conclusions to be drawn from the multivariate data typical of modem analytical instruments) is a striking feature of modem analytical science. These methods, like all computer-based procedures, have many pitfalls for the naive or unwary, but the overall effect of their introduction has undoubtedly been positive, and nowhere more so than in the field of calibration. This book covers the methods of multi-variate calibration developed up to 1987-8, including virtually all those now in general use. The book begins with an excellent. often humorously written, chapter on the need for calibration methods; this is worth reading, even by those who do not wish to face the rigours of linear algebra as outlined in the second chapter. The basic principles of matrix and vector manipulation are covered in only a dozen or so pages; this is a little too compressed for the many chemists who will start with little or no knowledge of this area, and I have seen better summaries in other chemometrics texts. The same chapter outlines the basics of statistics as applied to calibration methods. The third chapter, no less than 160 pages long, contains the meat 93
94
BOOK REVIEWS
of the book, including lengthy discussions of principal components regression and partial least squares. Some illustrative chemical examples are given, and if the reader is by this stage fully conversant with matrix notation, erc., this central section of the book will be extremely rewarding. The remainder of the text is also excellent. Chapter 4 deals with the crucial but frequently negIected question of method validation. Chapter 5 covers outlier detection, and it is notable that the authors are not enthusiasts for robust regression methods. Chapter 6 covers the design of calibration experiments, a topic which might seem to have merited earher treatment, but which in practice sits nicely at this juncture. Chapter 7 is an equally successful account of data pre-treatments such as linearization. The book concludes with an illustrative example studied in some detail, and there is also a bibliography, a glossary of symbols and terms, and-for once-an excellent index. Computer programs are not provided, or even recommended, despite the authors’ association with the well-known UNSCRAMBLER package. This book is not, nor is it expected to be, an easy read. However, it covers a compiex and crucial area of data handling supremely well, and must take its place on the bookshelves of all serious analytical scientists. J. N. MILLER Statistical Methods in Applied Chemistry: J. CZERMINSKI,A. IWASIEWICZ,Z. PASZEKand A. SIKORSKI,Elsevier, Amsterdam, 1989. Pages xviii + 493. US% 179.50, Dfl. 350.00 This is a thorough mathemati~l treatment of the science of statistics as applied to chemistry. It covers all the major topics of parametric and non-parametric statistics, e.g., random variables, the various distribution functions, parameter estimation, hypothesis testing, analysis of variance, correlation and regression (multiple linear and non-linear regression are included). Chemical data are used in all the examples. A chapter on “Methodological Guidelines” gives details of the statistical procedures used in particular chemical problems, covering areas such as limit of detection and sensitivity, precision and accuracy, propagation of errors, the effects of rounding errors, and sampling. The final chapter gives two extended examples of data analysis, one for a technological problem and the other for an analytical one. Fourteen usefui tables of statistical data are included, and also a collection of computer programs written in Turbo Pascal, together with some tables of test data. This will be a useful book for the serious research worker, but the mathematics is probably too advanced to make it suitable as a student text-book, even at postgraduate level. The translation is adequate, but could have been greatly improved by a translation editor. M. MASSON