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Molecular geometry and molecular graphics: Natta’s polypropylene and beyond. (English) Zbl 1400.92617
Cocchiarella, Luigi (ed.), ICGG 2018 – Proceedings of the 18th international conference on geometry and graphics. 40th anniversary – Milan, Italy, August 3–7, 2018. In 2 volumes. Cham: Springer; Milan: Politecnico de Milano (ISBN 978-3-319-95587-2/pbk; 978-3-319-95588-9/ebook). Advances in Intelligent Systems and Computing 809, 55-62 (2019).
Summary: In this introductory lecture I will try to summarize Natta’s contribution to chemistry and materials science. The research by his group, which earned him the Noble prize in 1963, provided unprecedented control over the synthesis of macromolecules with well-defined three-dimensional structures. I will emphasize how this structure is the key for the properties of these materials, or for that matter for any molecular object. More generally, I will put Natta’s research in a historical context, by discussing the pervasive importance of molecular geometry in chemistry, from the 19th century up to the present day. Advances in molecular graphics, alongside those in experimental and computational methods, are allowing chemists, materials scientists and biologists to appreciate the structure and properties of ever more complex materials.
For the entire collection see [Zbl 1403.00028].
MSC:
92E10 Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
Software:
VMD
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References:
[1] Natta, G., Farina, M.: Stereochimica. Molecole in 3D. Mondadori, Milano (1968). English translation: (Stereochemistry). Harper and Row, New York (1973)
[2] The Giulio Natta archive. http://www.giulionatta.it/
[3] The Nobel Prizes in Chemistry. https://www.nobelprize.org/nobel_prizes/chemistry/laureates/
[4] Zhao, G., Perilla, J.R., Yufenyuy, E.L., Meng, X., Chen, B., Ning, J., Ahn, J., Gronenborn, A.M., Schulten, K., Aiken, C., Zhang, P.: Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nature 497, 643-646 (2013).  https://doi.org/10.1038/nature12162
[5] Fujita, D., Ueda, Y., Sato, S., Yokoyama, H., Mizuno, N., Kumasaka, T., Fujita, M.: Self-Assembly of M\(\(_{30}\)\)L\(\(_{60}\)\) Icosidodecahedron. Chem 1, 91-101 (2016).  https://doi.org/10.1016/j.chempr.2016.06.007
[6] The Wolf foundation. http://www.wolffund.org.il/
[7] ACD/Labs ChemSketch. http://www.acdlabs.com/
[8] BIOVIA DS Visualizer. http://accelrys.com/
[9] MOLDEN. http://www.cmbi.ru.nl/molden/
[10] Humphrey, W., Dalke, A., Schulten, K.: VMD - visual molecular dynamics. J. Molec. Graphics 14, 33-38 (1996). https://www-s.ks.uiuc.edu/Research/vmd/
[11] The Protein Data Bank. https://www.rcsb.org/
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