SubjectsSubjects(version: 983)
Course, academic year 2025/2026
   
Physico-chemical models of molecular interactions - NBCM244
Title: Fyzikálně-chemické modely molekulárních interakcí
Guaranteed by: Department of Macromolecular Physics (32-KMF)
Faculty: Faculty of Mathematics and Physics
Actual: from 2024
Semester: winter
E-Credits: 3
Hours per week, examination: winter s.:1/1, C+Ex [HT]
Capacity: unlimited
Min. number of students: unlimited
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech, English
Teaching methods: full-time
Guarantor: Mgr. Václav Březina, Ph.D.
Teacher(s): Mgr. Václav Březina, Ph.D.
Annotation -
The course introduces basic approaches and models to describe molecular interactions. Emphasis is placed on the practical implementation of the models on the computer and their application to experimental data.
Last update: Búryová Marcela (07.05.2024)
Course completion requirements -

credit in the form of written tests and processing of spectroscopic data, oral examination

Last update: Búryová Marcela (07.05.2024)
Literature - Czech

K.A. Connors, Binding Constants: The Measurement of Molecular Complex Stability, Wiley, 1987.

P.W. Atkins, J. De Paula and J. Keeler, Atkins’ Physical Chemistry, Oxford University Press, 2018.

E.V. Anslyn and D. A. Dougherty, Modern Physical Organic Chemistry, University Science Books, 2006.

L. Lue, Chemical Thermodynamics, Ventus Publishing (Bookboon), 2014.

L. Bartovská, Chemická kinetika, VŠChT Praha, 2008.

C. A. Hunter and H. L. Anderson, What Is Cooperativity?, Ang. Chem. Int. Ed. 48, no. 41 (2009): 7488–99

Last update: Búryová Marcela (07.05.2024)
Syllabus -
I. Chemical reactions in equilibrium
Thermodynamics of chemical reactions

spectroscopic methods, types of experiments

supramolecular complexes, host-guest models

cooperativity

binding enthalpy and entropy, effect of temperature on chemical equilibrium

II. chemical kinetics
reaction rate, order of reaction

conformational dynamics

kinetics of enzymes, Michealis-Menten model

effect of temperature on reaction rate, Eyring equation

Last update: Búryová Marcela (07.05.2024)
 
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