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This edition is the labor of many enthousiastic scientists who were invited to teach at a NATO Advanced Study Institute on the "Spectroscopy of Inorganic Bioactivators" which took place on August 20 -30, 1988 at Club Poseidon, Loutraki, Greece. In this book the subjects were taught through several well prepared lectures. These lectures stretch the fact that scientific knowledge is the painfully gathered product of many wonderful human minds. I made an attempt to divide the lectures into separate chapters, however, there is interaction among the lectures, as I hope the book will show. First, there is introductory on an lecture supercomputing and super computers and their applications to solving structures of biological molecules followed by a state-of-the-art x-ray diffraction method at pi co second times. Important new advances have been made in x-ray diffraction analysis at picosecond times, in Hadamard spectroscopy, in micro-Raman spectroscopy in the Near Infrared region (1. 01 ~m) and remote sensing by Fourier Transform Infrared Spectroscopy. The chapters that follow include applications of spectroscopic technique to vii viii biologically important molecules, such as, DNA, proteins, membranes, and metal ion-biological molecule interactions. I would like to express my thanks to all the authors for their contributions and their cooperation in submitting their manuscript. I also thank the NATO Science Committee for making this possible. The field looks very promising for significant and exciting developments in the application of spectroscopy to bioactivators.
This book provides an introduction to the important methods of chiroptical spectroscopy in general, and circular dichroism (CD) in particular, which are increasingly important in all areas of chemistry, biochemistry, and structural biology. The book can be used as a text for undergraduate and graduate students and as a reference for researchers in academia and industry. Experimental methods and instrumentation are described with topics ranging from the most widely used methods (electronic and vibrational CD) to frontier areas such as nonlinear spectroscopy and photoelectron CD, as well as the theory of chiroptical methods and techniques for simulating chiroptical properties. Applications of chiroptical spectroscopy to problems in organic stereochemistry, inorganic stereochemistry, and biochemistry and structural biology are also discussed, and each chapter is written by one or more leading authorities with extensive experience in the field.
Metal ions are poorly known whereas they sometimes play a role more significant than vitamins. Moreover they control many diseases, such as the zinc salts in dermatology. This book contains the proceedings of 2nd International Symposium on Metal Ions in Biology and Medicine, Athens, May 1992.
First multi-year cumulation covers six years: 1965-70.
The series of Conferences on the Spectroscopy of Biological Molecules aims to stimulate research and development in this area of Science. The relationship between the structure and the biological activity of such materials as proteins, lipids, and nucleic acids is fundamental. The 5th European Conference on the Spectroscopy of Biological Molecules (ECSBM) is held at the Hotel Poseidon Club, Loutraki, Greece, on 5-10 September 1993. The scientific contents are remained the same as in the past conferences. Emphasis is given to vibrational spectroscopy, mainly infrared and Raman applied to the study of structure and dynamics of proteins, nucleic acids, porphyrins, carbohydrates, membranes, etc. Most of the contributions describe molecular dynamics and excitation processes, in particular the electronic-vibrational excitations, which are studied by Fr-Raman, Fourier Transform Infrared (Fr-IR) coupled often with microscopy and chromatography. Contributions also include Fr-Raman and FT-IR instrumentation and new developments in this area, and applications in Biology and Medicine. Furthermore, there is a plenary lecture in Mass Spectrometry and its applications in biomedical analysis, and a session devoted to Nuclear Magnetic Resonance (NMR) and its application in the study of biological molecules. Several contributions are devoted to other methods, such as CD, optical absorption, fluorescence and molecular graphics simulations. This volume of ECSBM contains shon articles by the invited and contributed lectures as well as from the Poster presentations from many European and non-European countries.
In September 2002, a NATO-ASI was held in Cetraro (CS), Italy on the theme of "Metal-Ligand Interactions in Molecular-, Nano-, Micro-, and Macro-systems in Complex Environments". This event has followed the previous ones held in the same place in 1991, 1994 and 1998. In the present and the previous schools a broad interdisciplinary cross-section of experimental and theoretical researchers, interested in a better understanding of metal-ligand interactions from different viewpoints, was linked together to exchange experience, to review the state-of-the-art, to indicate new techniques and methods, to explore new fields and perspectives. Particular emphasis was given to the problems related with the crossing from molecular systems to nano-, macro-and micro-scale materials and to the effects of the environment on the properties of the molecular systems. The school was organized around lectures and special research seminares given by leading experts in the following fields: • metal clusters • inorganic complexes and materials • surface phenomena • adsorption and catalysis • organic and bio-inorganic systems • ab initio theory • density functional theory • classical and quantum dynamics This volume contains the formal lectures and selected contributed papers and describes the main aspects and problems tackled during the 12 days of the event.
The developments in mass spectrometry over the past fifteen years have been impressive in their implications in bioanalytical chemistry. The achievements begin with the inventions of Cf-252 Plasma Desorption Mass Spectrometry by Macfarlane and Fourier Transform Mass Spectrometry by Comisarow and Marshall in the mid 1970s. The former showed the feasibility of producing large gas-phase ions from large biomolecules whereas the latter enhanced the capabilities for ion trapping especially in analytical mass spectrometry. A major achievement was the development by Barber of Fast Atom Bombardment (FAB) mass spectrometry, an advance that heralded a new era in biological mass spectrometry. Contemporary and routine instruments such as magnetic sectors and quadrupoles were rapidly adapted to F AB, and nearly the entire universe of small molecules became amenable to study by mass spectrometry. The introduction of FAB also paved the way for improvement of instrument capability. For example, the upper mass limit of magnet sector mass spectrometers was increased by nearly an order of magnitude by the instrument manufacturers. Furthermore, the technique of tandem mass spectrometry (MS/MS) was given new meaning because important structural information for biomolecules could now be produced for ions introduced by FAB into the tandem instrument. The evolution of MS/MS continues today with the development of ion traps, time-of-flight, and sector instruments equipped with array detection.
Biomolecular Structure and Dynamics describes recent fundamental advances in the experimental and theoretical study of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the structure of proteins and its prediction, time resolved Fourier transform IR spectroscopy of biomolecules, the computation of free energy, applications of vibrational CD of nucleic acids, and solid state NMR. Further presentations include recent advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO methods, empirical force fields, quantitative studies of the structure of proteins in water by Fourier transform IR, and density functional theory. Metal-ligand interactions, DFT treatment of organometallic and biological systems, and simulation vs. X-ray and far IR experiments are also discussed in some detail. The book provides a broad perspective of the current theoretical aspects and recent experimental findings in the field of biomolecular dynamics, revealing future research trends, especially in areas where theoreticians and experimentalists could fruitfully collaborate.
Bioinorganic chemistry is primarily concerned with the role of metal atoms in biology and is a very active research field. However, even though such important structures of metalloenzymes are known, as the MoFeCo of nitrogenase, Cu or Mn superoxide dismutase and plastocyanin, the synthetic routes to the modelling of such centers remains a matter of acute scientific interest. Other metalloenzymes, such as the Mn center of the oxygen evolving complex of PSII, are still the focus of in-depth examination, both spectroscopic and structural. Another area of concern is the interaction between drugs and metals and metal ion antagonism. Understanding the chemistry of metal ions in biological systems will bring benefits in terms of understanding such problems as biomineralization and the production of advanced materials by micro-organisms. The 29 contributions to Bioinorganic Chemistry: An Inorganic Perspective of Life give an excellent summary of the state of the art in this field, covering areas from the NMR of paramagnetic molecules to the use of lanthanide porphyrins in artificial batteries.