http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
Design and optimization in organic synthesis
1 online resource (xx, 574 pages) : illustrations
Revised, and updated Design and Optimization in Organic Synthesis presents strategies to explore experimental conditions and methodologies for systematic studies of entire reaction systems (substrates, reagent(s), catalyst(s), and solvents). Chemical phenomena are not usually the result of a single factor and this book describes how statistically designed methods can be used to analyse and evaluate synthetic procedures. The methodology is based on multivariate statistical techniques. The accompanying CD contains data tables and programmes. This book is essential reading for anyone working in process design and development in fine chemicals or the pharmaceutical industry, and is suitable for those with no experience in the field. * Contains recalculated models and redrawn figures, as well as new chapters on for example, the design of combinatorial libraries * Presents strategies to explore experimental conditions and methodologies * Enables the analysis and prediction of the best synthetic procedures.
Strategies on different levels in organic synthesis -- Experimental study of reaction conditions : initial remarks -- Models as tools -- General outline of screening experiments -- Two-level factorial designs -- Two-level fractional factorial designs -- Other designs for screening experiments -- Summary of screening experiments -- Optimisation -- Steepest ascent -- Simplex methods -- Response surface methods -- Reaction kinetics by sequential response surface modelling -- Summary of strategies for exploring the experimental space -- The reaction space -- Principal properties -- Strategies for the selection of test systems -- Quantitative relations : observed responses and experimental variations -- Exploring discrete variations : near-orthogonal experiments by singular value decomposition -- Optimization when there are several responses variables -- A method for determining suitable order of introducing reagents in "one-pot" procedures.
Includes bibliographical references and index.
Amsterdam ; San Diego, CA : Elsevier, 2005
Data handling in science and technology ; v. 24
102789:102808 Elsevier Science & Technology