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PřF:C5320 Theoretical Concepts of NMR - Course Information

## C5320 Theoretical Concepts of Nuclear Magnetic Resonance

**Faculty of Science**

Autumn 2009

**Extent and Intensity**- 2/1/0. 3 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
**Teacher(s)**- prof. RNDr. Vladimír Sklenář, DrSc. (lecturer)

doc. RNDr. Radovan Fiala, CSc. (lecturer)

Mgr. Pavel Kadeřávek, Ph.D. (seminar tutor) **Guaranteed by**- prof. RNDr. Vladimír Sklenář, DrSc.

National Centre for Biomolecular Research - Faculty of Science **Timetable**- Wed 10:00–11:50 A4-211
- Timetable of Seminar Groups:

*P. Kadeřávek* **Course Enrolment Limitations**- The course is also offered to the students of the fields other than those the course is directly associated with.
**fields of study / plans the course is directly associated with**- there are 13 fields of study the course is directly associated with, display
**Course objectives**- Introduction to basic principles of NMR spectroscopy. Theoretical concepts of classical description using the vector model as well as of quantum mechanics needed for proper understanding of multi-dimensional NMR techniques are discussed. The product operator formalism is introduced to facilitate description of basic one and two-dimensional experiments frequently used in chemical research. At the end of the course students should understand the applications of NMR spectroscopy in organic and inorganic chemistry, biochemistry, strucutural biology and biophysics.
**Syllabus**- 1. Introduction: NMR history and contemporary trends - applications of NMR to strcutural studies in liquids and solids, NMR tomography, expected developments, tour of NMR lab at NCBR 2. Basic principles: magnetic dipol, resonance condition, NMR spectrometer, Fourier spectroscopy, classical description - Bloch equations, relaxation - spin-lattice and spin- spin relaxation, Fourier transform, sensitvity 3. Spin system dynamics: basic properties of nuclear spin system, density matrix theory, matrix representaion, operators, spin Hamiltonia in Hilbert representation, average Hamiltonian theory. 4. Product operator formalism: basic principles, terminology, evolution of product operators, Hamiltnian in product basis, composite rotations, observables. 5. 1D Fourier spectroscopy: excitation sequences, spin-echo - principles, measurements of relaxtion times, polarization trasnfer, INEPT, DEPT, composite pulses, homo- and hetronuclear decoupling, plus filed gradients. 6. 2D Fourier spectroscopy: basic principles, formal theory of 2D detection, coherence pathways. 7. Basic methods of 2D spectroscopy: chemical shift correlation - COSY, dipol-dipol correlation - NOESY, phase cycles,methods for homo- and heteronuclear spin systems, spectral editing. 8. NMR apllications for structure determination of biomacromolecules: proteins and nucleic acids, structural parameters: proton distance determination, dihedral angles mesurements, mathematical reconstruction of 3D structures.

**Literature**- KEELER, James.
*Understanding NMR spectroscopy*. Chichester: Wiley, 2005. xv, 459. ISBN 0470017872. info - HORE, Peter J. and Jonathan A. JONES.
*NMR : the toolkit*. Edited by Stephen Wimperis. 1st pub. Oxford: Oxford University Press, 2000. 85 s. ISBN 0198504152. info - HOCH, Jeffrey C. and Alan S. STERN.
*NMR data processing*. New York: Wiley-Liss, 1996. xi, 196. ISBN 0471039004. info *Protein NMR spectroscopy principles and practice.*San Diego: Academic Press, 1996. 587 s. ISBN 0121644901. info- CAVANAGH, John and Wayne J. FAIRBROTHER.
*Protein NMR Spectroscopy. Principles and Practice*. San Diego: Academic Press, 1996. 587 pp. ISBN 0-12-164490-1. info - EVANS, Jeremy N. S.
*Biomolecular NMR spectroscopy*. Oxford: Oxford University Press, 1995. xvi, 444 s. ISBN 0-19-854766-8. info - VEN, Frank J. M. van de.
*Multidimensional NMR in Liquids :basic principles and experimental methods*. New York: VCH Publishers, 1995. 399 s. ISBN 1-56081-665-1. info *Two-dimensional NMR spectroscopy :applications for chemists and biochemists*. Edited by William R. Croasmun - Robert M. K. Carlson. 2nd ed. New York: VCH Publishers, 1994. xxii, 958. ISBN 1-56081-664-3. info- SANDERS, Jeremy K. M.
*Modern NMR spectroscopy : a workbook of chemical problems*. 2nd ed. Oxford: Oxford University Press, 1993. 127 s. ISBN 0198558120. info - RAHMAN, Atta-ur-.
*One and Two Dimensional NMR Spectroscopy*. 1. vyd. Amsterdam: Elsevier Science Publishers B.V., 1989. 578 s. ISBN 0444873163. info *NMR and the periodic table*. Edited by Robin Kingsley Harris - Brian E. Mann. London: Academic Press, 1978. 459 s. ISBN 0123276500. info

- KEELER, James.
**Teaching methods**- Lectures and seminars
**Assessment methods**- Oral examination
**Language of instruction**- Czech
**Follow-Up Courses****Further Comments**- Study Materials

The course can also be completed outside the examination period.

The course is taught annually.

- Enrolment Statistics (Autumn 2009, recent)
- Permalink: https://is.muni.cz/course/sci/autumn2009/C5320