Structure Correlation

This book leaves the conventional view of chemical structures far behind: it demonstrates how a wealth of valuable, but hitherto unused information can be extracted from available structural data. For example, a single structure determination does not reveal much about a reaction pathway, but a sufficiently large number of comparable structures does. Finding the 'right' question is as important as is the intelligent use of crystallographic databases. Contributions by F.H. Allen, T.L. Blundell, I.D. Brown, H.B. Bürgi, J.D. Dunitz, L. Leiserowitz and others, authoritatively discuss the structure correlation method as well as illustrative results in detail, covering such apparently unrelated subjects as * Bond strength relations in soldis * Crystal structure prediction * Reaction pathways of organic molecules * Ligand/receptor interactions and enzyme mechanisms This book will be useful to the academic and industrial reader alike. It offers both fundamental aspects and diverse applications of what will surely become a powerful branch of structural chemistry.

Spectra-Structure Correlation focuses on absorption spectroscopy of organic compounds, including radiation, absorption, and analysis of compounds. The publication first offers information on wavelength classification of absorption spectra; intensities and shapes of absorption bands; mechanisms for the absorption of radiation; and solvent, phase, and temperature effects. The text also focuses on the spectra of hydrocarbons, as well as olefins, cyclopropanes, benzenes, allenes and cumulenes, cyclobutanes, cyclopentanes, and cyclohexanes. The manuscript reviews compounds with oxygen and nitrogen functions. Discussions focus on aldehydes and ketones, alcohols, carboxylic acids, phenols, ethers and peroxides, acid derivatives, amides and imides, amines, and nitriles and related functions. The text also ponders on organic compounds containing halogen, sulfur, phosphorus, silicon, or boron, inorganic compounds, and complex materials. Concerns include polymers, steroids, purines, pyrimidines, nucleic acids, amino acids, polypeptides, and proteins. The publication is a dependable reference for readers interested in absorption spectroscopy or organic compounds.

The book includes all main physical properties of d- and f-transition-metal systems and corresponding theoretical concepts. Special attention is paid to the theory of magnetism and transport phenomena. Some examples of non-traditional questions which are treated in detail in the book: the influence of density of states singularities on electron properties; many-electron description of strong itinerant magnetism; mechanisms of magnetic anisotropy; microscopic theory of anomalous transport phenomena in ferromagnets. Besides considering classical problems of solid state physics as applied to transition metals, modern developments in the theory of correlation effects in d- and f-compounds are considered within many-electron models. The book contains, where possible, a simple physical discussion. More difficult questions are considered in Appendices.

Over the past few decades an exceedingly large number of experimental and clinical investigations have been performed in an attempt to analyze the way in which the kidney functions. The basis for all this work was established during the nineteenth and the early twentieth century by morphologists (Bowman 1842; Hyrtl1863, 1872; Heidenhain 1874; Peter 1909; von Mollendorf 1930). All these investigators clearly outlined the extremely heterogeneous assembly of renal tissue and also defined the nephron as the smallest morphological unit. It was further the merit of these anato mists and histologists to preclude quite a number of nephron functions based merely on their careful observations. Contemporary histologists have been able to add little to these observations. Unfortunately with the introduction of physiologic in vivo et situ studies on kidneys the interest in heterogeneity waned. This lack of attention was aggravated by the introduction of the clearance techniques which cannot account for regional differences in the function of the smallest unit, the nephron. That ana tomic heterogeneity has a functional correlate was strongly suggested by Trueta et al. (1947) and vigorously stimulated a number of studies. The development of physiologic microtechniques, like micropuncture and microperfusion of single nephrons, or the perfusion of isolated nephron portions and electrophysiologic studies, enormously expanded our knowledge concerning details regarding nephron and total renal func tion.

This book goes beyond the truism that 'correlation does not imply causation' and explores the logical and methodological relationships between correlation and causation. It presents a series of statistical methods that can test, and potentially discover, cause-effect relationships between variables in situations in which it is not possible to conduct randomised or experimentally controlled experiments. Many of these methods are quite new and most are generally unknown to biologists. In addition to describing how to conduct these statistical tests, the book also puts the methods into historical context and explains when they can and cannot justifiably be used to test or discover causal claims. Written in a conversational style that minimises technical jargon, the book is aimed at practising biologists and advanced students, and assumes only a very basic knowledge of introductory statistics.