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Last update: Dolenský Bohumil doc. Ing. Ph.D. (17.08.2018)
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Last update: Dolenský Bohumil doc. Ing. Ph.D. (17.08.2018)
Students will be able to:
Recognize the different types of intermolecular interactions for a molecular structure, estimate their manifestation, and suggest analytical methods for their study. |
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Last update: Dolenský Bohumil doc. Ing. Ph.D. (17.08.2018)
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 |
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Last update: Dolenský Bohumil doc. Ing. Ph.D. (17.08.2018)
Web: http://www.vscht.cz/anl/dolensky/supramol/index.html |
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Last update: Dolenský Bohumil doc. Ing. Ph.D. (17.08.2018)
Lessons |
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Last update: Dolenský Bohumil doc. Ing. Ph.D. (17.08.2018)
1. Introduction: history, milestones, definition and concepts of supramolecular chemistry, host-guest chemistry, drug-substrate interactions, molecular recognition.
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, solvophobic effect, close packing.
3. Intermolecular interactions: 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. Hydrogen bonds: 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.
5. Halogen bonds: 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.
6. Bonds of aromates: definition and characteristics of bonds 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.
7. Cations: 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.
8. Anions and neutral molecules: overview of functional groups and molecules for binding of anions and neutral molecules, catapinands, clathrates.
9. Analytical methods: 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.
10. Supramolecular technologies: self-assembly, artificial enzymes, molecular machines and devices, molecular reactors and flasks, etc.; relation to nanotechnology. |
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Last update: Dolenský Bohumil doc. Ing. Ph.D. (17.08.2018)
The basics in organic and analytical chemistry |