{"id":7987,"date":"2025-04-03T11:10:29","date_gmt":"2025-04-03T14:10:29","guid":{"rendered":"https:\/\/cursos.ufrrj.br\/posgraduacao\/ppgq\/?page_id=7987"},"modified":"2025-04-03T11:10:43","modified_gmt":"2025-04-03T14:10:43","slug":"ic-1332f-special-topics-modern-nmr-techniques","status":"publish","type":"page","link":"https:\/\/cursos.ufrrj.br\/posgraduacao\/ppgq\/en\/ic-1332f-special-topics-modern-nmr-techniques\/","title":{"rendered":"IC-1332f \u2013 Special Topics: Modern NMR Techniques"},"content":{"rendered":"

3 credits 45 theoretical hours<\/strong><\/p>\n

OBJECTIVES:<\/strong><\/p>\n

Provide students with knowledge about NMR techniques and their various applications in Organic Chemistry and Biochemistry<\/p>\n

SUMMARY:<\/strong><\/p>\n

1. Relaxation.<\/p>\n

2. Studies with isotopic ratio.<\/p>\n

3. Ligand-protein interactions.<\/p>\n

4. Studies of biological fluids.<\/p>\n

5. Dynamic NMR.<\/p>\n

6. NMR in drug development<\/p>\n

PROGRAM CONTENT:<\/strong><\/p>\n

1. Relaxation<\/p>\n

1.1. spin-lattice and spin-spin relaxation<\/p>\n

1.2. relaxation mechanisms<\/p>\n

1.3. relaxation by chemical shift anisotropy<\/p>\n

1.4. scalar coupling relaxation<\/p>\n

1.5. spin rotation relaxation<\/p>\n

1.6. relaxation by internuclear dipole-dipole interaction<\/p>\n

1.7. influence of molecular movement on relaxation<\/p>\n

1.8. correlation times<\/p>\n

1.9. information about molecular dynamics through relaxation data<\/p>\n

2.0. displacement reagents and applications<\/p>\n

2.1 Nuclear Overhauser Effect and its applications<\/p>\n

2.2 Biopolymers<\/p>\n

2. Isotopic ratio studies<\/p>\n

2.1. Origin of differences between different isotopes<\/p>\n

2.2. Applications<\/p>\n

3. Ligand-protein interactions<\/p>\n

3.1. Use of NOE<\/p>\n

3.2. Use of chemical shift perturbation<\/p>\n

3.3. Field gradient pulsed NMR experiments<\/p>\n

3.4. Diffusion experiments<\/p>\n

3.5. Experiments by saturation transfer difference<\/p>\n

3.6. Applications<\/p>\n

4. Biological fluid studies<\/p>\n

4.1. Metabolomic analysis with biological fluids<\/p>\n

4.2. 1H and 13C chemical shifts of common metabolites and assignments<\/p>\n

4.3. Suppression of the water signal and other signals<\/p>\n

4.4. Multidimensional NMR and quantification<\/p>\n

4.5. Multivariate statistical analysis<\/p>\n

4.6. Applications<\/p>\n

5. Dynamic NMR<\/p>\n

5.1 Exchange of hydrogens between positions with different chemical shifts<\/p>\n

5.2 Rotation barriers<\/p>\n

5.3 Relationship with reaction kinetics<\/p>\n

5.4 Application of double resonance to calculate reaction rates<\/p>\n

5.5 Measurement of 1st order reaction rate by integration<\/p>\n

5.6 Restricted internal rotation<\/p>\n

5.7 Configuration inversion<\/p>\n

5.8. Tautomery<\/p>\n

6. NMR in drug development<\/p>\n

6.1. Stages of drug development<\/p>\n

6.2. Target validation and receptor identification<\/p>\n

6.3. Structural strategy for drug development<\/p>\n

6.4. Drug-receptor bonds<\/p>\n

6.5. Prototype identification<\/p>\n

6.6. Prototype Optimization<\/p>\n

6.7. Preclinical studies: drug metabolism using biological fluids<\/p>\n

6.8. Human trials<\/p>\n

6.9. Purity of pharmaceuticals<\/p>\n

6.10. Use of solid state NMR to<\/p>\n

BIBLIOGRAPHY:<\/strong><\/p>\n

1. Sander, J.K.M. and Hunter, B.K. \u201cModern NMR Spectroscopy\u201d; Oxford University Press, New York, 1987.<\/p>\n

2. Abraham, R. J. and Loftus, P. \u201cProton and Carbon-13 NMR Specroscopy\u201d; Heyden & Sons Ltd. 1980.<\/p>\n

3. Lambert, J.B., Shurvell, H.F. Lightner, D.A. and Cooks, R.G. \u201cIntroduction to Organic Spectroscopy\u201d Macmillan Publishing Company, New York, 1987.<\/p>\n","protected":false},"excerpt":{"rendered":"

3 credits 45 theoretical hours OBJECTIVES: Provide students with knowledge about NMR techniques and their various applications in Organic Chemistry … <\/i><\/a><\/p>\n","protected":false},"author":71,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"_themeisle_gutenberg_block_has_review":false,"footnotes":"","_links_to":"","_links_to_target":""},"class_list":["post-7987","page","type-page","status-publish","hentry"],"yoast_head":"\nIC-1332f \u2013 Special Topics: Modern NMR Techniques - Programa de P\u00f3s-Gradua\u00e7\u00e3o em Qu\u00edmica<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/cursos.ufrrj.br\/posgraduacao\/ppgq\/en\/ic-1332f-special-topics-modern-nmr-techniques\/\" \/>\n<meta property=\"og:locale\" content=\"pt_BR\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"IC-1332f \u2013 Special Topics: Modern NMR Techniques - 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