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The course focuses on understanding the basis principles of intermolecular interactions and their consequences, elaborates the principles of molecular recognition, and analytical tools for its studying. The first part of the course includes a series of lectures on supramolecular chemistry. The second part includes an individual work of students based on their own research and scientific literature.
Last update: Dolenský Bohumil (22.05.2019)
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R: Principles and methods in supramolecular chemistry, Hans-Jörg Schneider, Anatoly Yatsimirsky, John Wiley & Sons Ltd, 2000, ISBN: 978-0-471-97253-2
R: Molekulární design, Pavel Lhoták, Ivan Stibor, VŠCHT Praha, 1997, ISBN: 80-7080-294-4
A: Analytical methods in supramolecular chemistry, Christoph Schalley, WILEY-VCH Verlag GmbH & Co. KGaA, 2nd ed., 2012, ISBN: 978-3-527-32982-3
A: Binding Constants: The measurement of molecular complex stability, Kenneth A. Connors, John Wiley & Sons Ltd, 1987, ISBN: 978-0-471-83083-2 Last update: Záruba Kamil (14.09.2018)
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Lessons Last update: Záruba Kamil (14.09.2018)
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1. History, milestones, definition and concepts of supramolecular chemistry, host-guest chemistry, molecular recognition, intermolecular interactions, self-assembly, artificial enzymes, molecular machines, relation to nanotechnology
2. Supermolecules, characteristics of molecular complexes, definition of binding constants, binding energy, thermodynamics of complexation, Gibbs and Hemholtz energy, activation energy and volume, cooperation effect, affinity, selectivity, enthalpy-entropy compensation, close packing
3. Physical view on intermolecular interactions, ion-ion (Coulomb), ion-dipole/multipole, dipole-dipole (Keesom), multipoles, induced dipoles and their interactions with ion (Debye), dipole and induced dipole (London), van der Waals interactions
4. Origin and energetic of hydrophobic effect, solvophobic effect, hydrophylic, lipophylic and fluorophilic behaving
5. Definition and characteristics of classical (proper, conventional) hydrogen bond, red shift, blue shift and no-shift hydrogen bonds, non-classical hydrogen bonds, inverse hydrogen bond, dihydrogen bond, example of hydrogen bonds utilizations and examples from living organisms
6. Definition and characteristics of halogen bonds of chloro , bromo and iodocompounds, example of halogen bond in crystal engineering, drug-enzyme complexes, anesthetic effect, relationship to hydrogen bonds, special interactions of fluorocompounds
7. Definition and characteristics of interactions related to aromatic parts of molecules, face to face (π π) interactions, parallel displacement and sandwich, face to edge (CH π) interactions, T and Y shape interactions, the roles in biological systems, molecular tweezers
8. Overview of functional groups and molecules for binding of cations, ionophores, cooperation effect, chelate effect, template effect, pre organization, complementarity, complexons, crownethers, cryptands, sferands, etc., antibiotics, diseases connect with cations
9. Overview of functional groups and molecules for binding of anions and neutral molecules, catapinands, clathrates
10. Analytical methods for supramolecular studies, determination of binding constants, nuclear magnetic resonance, isothermal titration calorimetry, vapor pressure osmosis, chromatography, extraction, dialysis, infrared spectroscopy, mass spectrometry, small angle light scattering, plasmon resonance, atomic force microscopy, etc.
11. Presentation of own research by students, assignment of projects on supramolecular topics related to their research for independent review work
12. Presentation of the projects, critical analysis of published articles, discussion of possible solutions Last update: Dolenský Bohumil (22.05.2019)
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Web: http://www.vscht.cz/anl/dolensky/supramol/index.html Last update: Záruba Kamil (14.09.2018)
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The basics in organic and analytical chemistry Last update: Záruba Kamil (14.09.2018)
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