Metal Clusters in Proteins
O
ver the past 20 years, the study of met als in the maintenance and regulation of many biological processes has gained significant importance. Now through this ex citing new book, you can get an in-depth look at the different functions of metal ions as well as learn the background on the tools used to elucidate the properties of metal clusters. Specialists in biochemistry and spectroscopy of proteins and scientists involved in the design and synthesis of structural and functional models for the metal sites offer the latest in formation on new techniques and develop ments. With 19 chapters, this book is divided into four detailed sections:
A/C INTERFACE the chemical shift of a given carbon atom in a molecule that has not previously been examined? If so, which of these models is likely to give the most accurate prediction? One possibility includes the application of artificial intelligence methods to aid in the model selection process. Another aspect of this research, related to the questions of model suitability and selection, involves further investigations into the generation and evaluation of partial simulated spectra. Accurate creation of simulated subspectra could prove useful in answering questions regarding the identities of substructural fragments in complex molecules. In addition, it may be possible to use various combinations of simulated subspectra in conjunction with library search results to help determine what new types of regression models should be developed and what new classes of compounds should be investigated. Although it is clear that important advances in the field of computer-aided 13 C NMR spectral simulation have been made, several unanswered questions remain that should prove both challenging and interesting to pursue. The work described in this article was supported by the National Science Foundation under Grant CHE-8815785.
References (1) Brunner, T. R.; Wilkins, C. L.; Lam, T. F.; Soltzberg, L. J. Anal. Chem. 1976, 48,1146-50. (2) Wilkins, C. L.; Brunner, T. R. Anal.
Chem. 1977, 49, 2136-^1. (3) Sjôstrôm, M.; Edlund, U. J. Magn. Reson. 1977,25, 285-97. (4) Zupan, J.; Heller, S. R.; Milne, G.W.A.; Miller, J. A. Anal. Chim. Acta 1978, 103, 141-49. (5) Gray, N.A.B.; Crandell, C. W.; Nourse, J. G.; Smith, D. H.; Dageforde, M. L.; Djerassi, C. J. Org. Chem. 1981, 46, 70315. (6) Ando, I.; Nishoka, Α.; Kondo, M. Bull. Chem. Soc. Jpn. 1974, 47,1097-1104. (7) Ando, I.; Webb, G. A. Theory of NMR Parameters; Academic Press: New York, 1983. (8) Grant, D. M.; Paul, E. G. J. Am. Chem. Soc. 1964,86, 2984-89. (9) Lindeman, L. P.; Adams, J. Q. Anal. Chem. 1971, 43,1245-52. (10) Ejchart, A. Org. Magn. Reson. 1980,13, 368-71. (11) Ejchart, A. Org. Magn. Reson. 1981,15, 22-24. (12) Smith, D. H.; Jurs, P. C. J. Am. Chem. Soc. 1975,100, 3316-21. (13) Small, G. W.; Jurs, P. C. Anal. Chem. 1983,55,1121-27. (14) Bernassau, J. M.; Fetizon, M.; Maia, E. R. J. Phys. Chem. 1986,90, 6129-34. (15) Bastard, J.; Bernassau, J. M.; Bertranne, M.; Maia, E. R. Magn. Reson. Chem. 1988,26,992-1002. (16) Mclntyre, M. K.; Small, G. W. Anal. Chem. 1987,59,1805-11. (17) Egolf, D. S.; Jurs, P. C. Anal. Chem. 1987,59,1586-93. (18) Sutton, G. P.; Jurs, P. C. Anal. Chem. 1989, 61, 863-71. (19) Egolf, D. S.; Brockett, E. B.; Jurs, P. C. Anal. Chem. 1988,60, 2700-2706. (20) Small, G. W.; Jurs, P. C. Anal. Chem. 1983,55,1128-34. (21) Small, G. W.; Jurs, P. C. Anal. Chem. 1984,56,1314-23. (22) Small, G. W.; Jurs, P. C. Anal. Chem. 1984,56, 2307-14. (23) Ranc, M. L.; Jurs, P.C. The Pennsylva nia State University, unpublished results.
• metalloproteins and two spectroscopic techniques used to characterize them • binuclear sites of metalloproteins that contain copper • metal-oxo centers of metalloproteins • metal-sulfur clusters
Metal Clusters in Proteins provides an up-todate summary. It will be of interest to bio chemists, spectroscopists, crystallographers, molecular biologists, and inorganic and organic chemists in all stages of expertise. This book may also serve as a starting point for class room discussions on bioinorganic chemistry. Lawrence Que, Jr., Editor, University of Minnesota Developed from a symposium sponsored by the Divi sion of Inorganic Chemistry of the American Chemical Society ACS Symposium Series No. 372 414 pages (1988) Clothbound ISBN 0-8412-1487-5 LC 88-14504 US & Canada $84.95 Export $101.95 Order from: American Chemical Society
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Peter C. Jurs (center), professor of chemistry at The Pennsylvania State Uni versity, received his Ph.D. from the University of Washington in 1969. His re search interests include computer applications in chemistry, studies of correla tions between molecular structure and biological activity or physicochemical properties, and applications of pattern recognition and multivariate statistics to analytical data interpretation. G. Paul Sutton (right) received his B.S. degree from the University of Delaware in 1985 and is a fourth-year graduate student pursuing a Ph.D. in analytical chemistry. His research interests include the development and application of computer-aided multivariate statistical methods to NMR spectral simulation problems and to the study of chromatographic retention properties. Martha L. Ranc (left) received her B.S. degree in chemistry and computer science from Chestnut Hill College (Pennsylvania) in 1986. She is currently pursuing a Ph.D. in chemistry and is working in the area of 13C NMR simulation.
1122 A · ANALYTICAL CHEMISTRY, VOL. 6 1 , NO. 19, OCTOBER 1, 1989
