Advanced Studies in Structural Chemistry

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1 Advanced Studies in Structural Chemistry Biological Mass Spectrometry * S Lectures 24 Exercises 6 4th spring S Interpretation of Mass Spectra or the textbook: Davis, R. and Fearson, M.: Mass Spectrometry, Wiley, After this course the student is familiar with the mass spectrometric techniques used in the analysis and research of biological compounds. Applications in the research of peptides and proteins, glycoconjugates and nucleic acids will be presented. Instrumentation, LC/MS, new methods of ionisation, derivatives, the strategies of analysing peptides and proteins, methods for analysing glycoconjugates, nucleic acid derivatives. Demonstrations, final examination Siuzdak, G.: Mass Spectrometry for Biotechnology, Academic Press, N.N.

2 Biological Mass Spectrometry * S Lectures 24 Exercises 6 4th spring S Interpretation of Mass Spectra or the textbook: Davis, R. and Fearson, M.: Mass Spectrometry, Wiley, After this course the student is familiar with the mass spectrometric techniques used in the analysis and research of biological compounds. Applications in the research of peptides and proteins, glycoconjugates and nucleic acids will be presented. Instrumentation, LC/MS, new methods of ionisation, derivatives, the strategies of analysing peptides and proteins, methods for analysing glycoconjugates, nucleic acid derivatives. Demonstrations, final examination Siuzdak, G.: Mass Spectrometry for Biotechnology, Academic Press, N.N. Capillary Techniques in Organic and Bioanalysis * S Lectures 24

3 Exercises 6 4th spring Finnish P Introduction to Analytical Chemistry and A Instrumental Analysis After this course the student is familiar with the modern separation methods, which use capillary techniques. Capillary gas chromatography, capillary electrophoresis and capillary electro chromatography. Some applications in organic and bioanalysis will be presented. Demonstrations, seminar or final examination Schomburg, G. Gas Chromatography. A Practical Course, VCH Weinheim 1990 and Weinberger, R.: Practical Capillary Electrophoresis, 2 nd Ed., Academic Press, N.N. Interpretation of Mass Spectra and MS Workshop * S Lectures 24 Exercises 10 4th autumn ECTS credits 5 Finnish A Instrumental Analysis and A Structural Chemistry I After this course the student is familiar with the basics of

4 the interpretation of mass spectra. Ionisation methods, fragmentation mechanisms, and basics of the interpretation of mass spectra. Applications in organic and biological chemistry. Exercises, reports, final examination Selected parts from the books; de Hoffmann,E and Stroobant, V.: Mass Spectrometry. Principles and Applications, 2 nd Ed. Wiley, 2001; McLafferty, F.W and Turecek, F.: Interpretation of Mass Spectra, 4. ed., University Science Books, Mill Valey Cal., NN Multinuclear NMR Spectroscopy in Structure Elucidation S Exercises Autumn After this course the student is familiar with the NMR characteristics and use of various magnetic isotopes. The correlation of structural factors to spin-spin coupling constants and relaxation times of the nuclei in 14N, 15N, 17O, 19F, 29Si, 31P, 77Se and 195Pt. A practical exercise and a report Mason, J. (ed.): Multinuclear NMR, Plenum Press, New York, 1987.

5 Computer Analysis of NMR Spectra S Lectures 8 Exercises 12 Autumn After this course the student is familiar with computer aided NMR spectral processing and production, and assisgnment tools The basic theory for analysing NMR spectra; the structure, function and use of simulating and iterating analysis programs. G nther, H.: NMR Spectroscopy, 2nd ed., Wiley, 1995, partly. Laatikainen, R. and Niemitz, M.: Perch, An Integrated Software for Analysis of NMR Spectra on PC, University of Kuopio, NMR-workshop I S Exercises 80

6 Spring After this course the student is familiar with the common 1D and 2D NMR methods and their principles. 1D, 2D NMR techniques. Optimization of NMR measurement parameters:theory and practice. NMR data processing. Derome, A. E.,Modern NMR Techniques for Chemistry Research, Pergamon Press (part.) NMR-workshop II S Exercises 80 Spring NMR-workshop I (784623S) After this course the student is familiar with the advanced 1D and 2D NMR methods and has detailed understanding of pulse sequences in NMR. Product Operator Formalism. Pulse sequences: Design and programming. Use and programming of automatized spectrometer workflows.

7 Levitt, M.: Spin Dynamics: Basics of Nuclear Magnetic Resonance, John Wiley & Sons, 2001 (part), Derome, A. E.,Modern NMR Techniques for Chemistry Research, Pergamon Press (part) NMR-workshop III S Exercises 80 Spring NMR-workshop I (784623S) After this course the student is familiar with the techniques commonly used in elucidation of organic compounds and natural products. Sample preparation. Spetrometer setup. Use of automatized workflows of recording series of 1-3D NMR experiments. Spectral processing. Assignment of NMR data. Derome, A. E.,Modern NMR Techniques for Chemistry Research, Pergamon Press (part) NMR-workshop IV S

8 Exercises 80 Spring NMR-workshop I (784623S) After this course the student is familiar with the 2-4D techniques commonly used in biomacromolecular NMR analysis. Protein backbone and sidechain 3D experiments. Other multidimensional methods. Magnetization transfer functions. Resolution and S/N. Processing of multidimensional NMR data. Levitt, M.: Spin Dynamics: Basics of Nuclear Magnetic Resonance, John Wiley & Sons, 2001 (part) and Cavanagh: Protein NMR Spectroscopy, Academic Press, 1995, ISBN: NMR Spectroscopy of Organic Chemistry S Lectures 14 Exercises 60 Autumn ECTS credits 3 After this course the student is familiar with the

9 principles, methods, techniques and practise of structure elucidation of organic compounds by NMR spectroscopy Modern multidimensional NMR techniques. Spectral runs, nalysis and report of an unknown compound Breitmaier, E.: Structure Elucidation by NMR in Organic Chemistry, A Practical Guide, Wiley, NMR Spectroscopy of Polymers* S Exercises A Practical exercise and report 4th or 5th autumn Finnish, English on demand NMR Spectroscopy of Organic Chemistry (784610S) and NMR workshop I (784623S) After this course the student is familiar with basic principles of NMR spectroscopy of polymers. Preparation of liquid and solid state sample, the effect of concentration and temperature. Chemical shift and nit s anitisotropy. Dipole-dipole interaction, relaxation time and crosspolarisation and their connection to microstructure of polymers. Identification and quantification. A Practical exercise and report 5/6 and practise exercise 1/6 Tonelli, A. E.: NMR spectroscopy and polymer microstructure: The conformational connection, VCH, New York (1989). Komoroski, R. A. (ed.): High resolution NMR spectroscopy of synthetic polymers in

10 bulk, Methods in stereochemical analysis vol. 7, VCH, Florida (1986). Diehl, P. et al. (ed.): NMR Basic Principles and Progress 29, Springer-Verlag, Berin (1993). Fyfe, C. A.: Solid State NMR for Chemists, C.F.C. Press, Guelph (1983). Braun, S. et al.: 150 and More Basic NMR experiments: A Practical Course - Second Expanded Edition, VCH, Weinheim (1998). Doc. Taito Väänänen Seminars S Lectures Exercises 20 1 st and 2 nd years ECTS credits 3 Finnish, English on demand Student gives two presentations on a given scientific subject and distributes an abstract to the audience. Last modified:

Advanced Studies in Physical Chemistry

Advanced Studies in Physical Chemistry Molecular modelling-workshop 781626S Lectures 8 Practical exercise, 782624S Molecular Modelling, or 782625S Quantum Chemistry After this course the student is familiar