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For more than four decades, scientists and researchers have relied on the Advances in Chromatography Series for the most up-to-date information on a wide range of developments in chromatographic methods and applications. With contributions from an array of international experts, the latest volume captures new developments in this important field th
The coupling of mass spectrometry or nuclear magnetic resonance to chromatography has broadened the possibilities for determining organic reaction mechanisms. And while many results have been published reporting these, even more can be achieved through modern computational methods. Combining computational and theoretical techniques with advanced chromatographic methods offers a powerful tool for quantitatively determining molecular interactions . This book presents the possibilities for characterising biological applications by combining analytical and computational chemistries. Written by the author of “HPLC: A Practical Guide” (RSC, 1999), the book examines not only the behaviour of biological reactions per se, but also describes the behaviour of biological molecules in chromatography systems. Various software packages are reviewed, and most computations can be performed on a standard PC using accessible software. Consideration is given to a variety of chromatographic techniques and strategies for high-sensitivity detection are presented. The first book of its kind, it will inspire readers to explore the possibilities of combining these techniques in their own work, whether at an industrial or academic level.
In view of linear free-energy relationships, LFER, chromatographic systems are “free-energy transducers,” translating differences in the structure of analytes into quantitative differences in physicochemical properties, like retention parameters. Hence, quantitative structure property (retention) relationships, QSP(R)R, bear valuable information on analytes and the separation systems involved. We illustrate here what can be achieved from the statistically valid and physically meaningful quantitative structure-retention relationships, QSRR. In particular, one can predict retention data, confirm identification, and optimize conditions of separation of given structurally defined analytes. Also, QSPR can shed light on the molecular mechanism of separation operating on specific stationary phases. Additionally, one can assess such properties of drug analytes of pharmacokinetic importance, like lipophilicity and acidity. Also, differences in interactions of xenobiotics with biomacromolecule components of chromatographic systems can conveniently be quantified. By means of QSRR, the chromatographic behavior of analytes in diverse separation systems can be related to their pharmacological properties.
"Volume 40 presents an authoritative selection of the best and most up-to-date research findings in separation science. Surveys recent developments in high performance-liquid (HPLC), reversed-phase liquid (RPLC), countercurrent (CCC), and micellar electrokinetic chromatography (MEKC)."