Crystallography of Supramolecular Compounds

ISBN-13: 9789401072588 / Angielski / Miękka / 2012 / 520 str.

Georges Tsoucaris; Jerry L. Atwood; Janusz Lipkowski

Opis

The Supramolecular Compounds refer to organised multi-molecular assemblies and associated phenomena. The stability and the properties of these compounds strongly involve structural three-dimensional (3D) information. The crystal itself can be considered as a giant supermolecule. Thus, a thorough understanding of crystal structures and crystal growth provides a unique information on the intermolecular interactions. Indeed, each crystal reflects in a particular way the recognition properties of molecules. More so, modern crystallography allows to study in detail two or three-component crystalline solids in which the recognition processes can be seen from the structural standpoint. Crystallography of smaller and smaller single crystals, faster and faster experiments, time-resolved x-ray crystallography, are extremely potent source of physico-chemical information. The present Advanced Study Institute (A.S.I.) - which was planned five years ago as the 22nd Course of the International School of Crystallography (director: T. L. BLUNDELL), 1-11 June 1995, E. Majorana Centre, Erice, Italy - is probably the first international meeting specifically devoted to the Crystallography of Supramolecular Compounds. The presence of crystallographers, chemists and physicists enhanced the coherence of the typical sequence: Conception and Design - Synthesis - Structure and Visualisation - Properties. The interactive and interdisciplinary character of this research is central to the development of general structural models for a large spectrum of compounds: ionophores, cryptates, fullerenes, calixarenes, cyclodextrins, cyclotriveratrylenes, pillar type compounds, zeolites, hydrates, solvates and others."

Spis treści

Preface; G. Tsoucaris, et al. 1. An Introduction to the Crystallography of Supramolecular Compounds; J.L. Atwood. 2. Association of Helical Peptides and Ion Channels; I.L. Karle. 3. On Molecular Recognition in Fullerene Chemistry; H.B. Buergi. 4. Long Range Order in Organized Monolayers; D. Möbius. 5. Applications of the Cambridge Structural Database in the Study of Non-covalent Interactions; F.H. Allen. 6. Solvent and Dynamic Effects on the structure of Alkali Cation Complexes of the t-butyl-calyx[4]arene Anion: MD and FEP Computer Investigations on the Na+ / Cs+ Binding Affinity; A. Varnek, et al. 7. Solid State NMR in Inclusion Compounds; J.A. Ripmeester, C.I. Ratcliffe. 8. The Single Crystal as a Super Molecule; C. Pascard. 9. New Layered and Pillared-Type Compounds, their Intercalation Chemistry and Applications; G. Alberti, et al. 10. Molecular Tectonics; X. Delaigue, et al. 11. Symmetry in Spheroalcanes, Fullerenes, Tubules and Other Column-Like Aggregates; A. Rassat. 12. Stability, Solvent Patterns and Molecular Recognition in Cyclodextrins; G. Tsoucaris. 13. Constitution and Stability of Clathrate Hydrates; Yu.A. Dyadin. 14. Cyclodextrins and Fragments of Starch and Cellulose: Crystal Structures, Self-Assembly and Hydrogen Bonding; W. Saenger, et al. 15. Clathration and Solvation of Molecules; J. Lipkowski. 16. Inclusion Compounds: Relating Structure to Kinetics and Thermodynamics; L.R. Nassimbeni. 17. The Self- Assembly of Guanosine Derivatives and Folic Acid;G. Gottarelli, et al. 18. Recognition at Crystal Interfaces. Self Organization and Transfer of Structural Information from 2-D Monolayers to 3-D Single Crystals; M. Lahav. 19. Synthetic Receptors: A Modular Approach to Large Structures; I. Higler, et al. 20. Structural Models of Biological Significance from Supramolecular Systems; J.L. Atwood. 21. How DNA is Recognized by Proteins; W. Saenger. 22. Catalytic Antibodies: An Intriguing Host-Guest System; B.S. Green. 23. Supramolecular Organization of Keratinized Tissue; J.-L. Leveque. 24. Molecular Recognition: The Lipocalins; E. Eliopoulos. 25. Supramolecular Photochemical Reactions of Organic Molecules Adsorbed on Porous Crystalline Zeolites; N.J. Turbo. 26. Topics in Supramolecular Chemistry; J.-M. Lehn. Appendix. Tutorials on Molecular Modelling. 1. Introduction to Conformational Analysis with the Macromodel Software; A. Varnek, G. Wipff. 2. Display of Dynamic Structures from Molecular Dynamics Simulations in Aqueous/Non-aqueous Solutions. Comparison with X-Ray Structures; A. Varnek, et al. 3. The Cambridge Structural Database; F. Allen, O. Johnson. 4. Harmony: the Supramolecular Database Management System; M. Bailly, et al. 5. Molecular Graphics Approaches in Structure Prediction and Determination; E. Eliopoulos, I.M. Mavridis. 6. Tutorial Available on a PC Floppy Disk: Display of Supramolecular Structures; E. Eliopoulos, I.M. Mavridis. Index.