C5320 Theoretical Concepts of Nuclear Magnetic Resonance

Faculty of Science
Autumn 2012
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. Vojtěch Kubáň, Ph.D. (seminar tutor)
Guaranteed by
prof. RNDr. Vladimír Sklenář, DrSc.
National Centre for Biomolecular Research – Faculty of Science
Supplier department: National Centre for Biomolecular Research – Faculty of Science
Timetable
Tue 13:00–15:50 C04/211
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
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, P. J., J. A. JONES and Stephen WIMPERIS. NMR : the toolkit. 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
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.
The course is also listed under the following terms Autumn 2007 - for the purpose of the accreditation, Autumn 1999, Autumn 2010 - only for the accreditation, Autumn 2000, Autumn 2001, Autumn 2002, Autumn 2003, Autumn 2004, Autumn 2005, Autumn 2006, Autumn 2007, Autumn 2008, Autumn 2009, Autumn 2010, Autumn 2011, Autumn 2011 - acreditation, Autumn 2013, Autumn 2014, Autumn 2015, Autumn 2016, autumn 2017, Autumn 2018, Spring 2020, Spring 2021, Spring 2022, Spring 2023, Spring 2024, Spring 2025.
  • Enrolment Statistics (Autumn 2012, recent)
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