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Bioorganic Structural Analysis

  • 15 credits

The course focuses on the elucidation of structure of organic compounds in general and bioorganic compounds in particular. Solution state NMR spectroscopy is the main method used to this end, complemented by mass spectrometry and molecular modeling to characterize the structure of organic compounds.

Conifering sticks

This course in organic chemistry illustrates and provides the tools necessary for deducing the three-dimensional structure of organic compounds in solution.

Through a combination of NMR spectroscopy and molecular modeling, the structural properties of organic compounds including carbohydrates, peptides and nucleotides, are investigated.

In addition, other bioorganic compounds like steroids, terpenes and pharmaceutically active compounds are studied. The theoretical part of the course is focused on providing the student with the proper knowledge necessary for planning, execute and evaluate spectroscopic experiments.

The main spectroscopic method used in the course is nuclear magnetic resonance spectroscopy (NMR).

In the laboratory exercises the students learn how to perform and evaluate advanced NMR methods such as various 2D-correlation spectroscopy experiments. In addition, computer-based calculations like molecular modeling and molecular dynamic simulations are used for conformational analysis of organic compounds.

  • Course structure

    The course covers the following aspects:

    • One-dimensional 1H and 13C NMR spectroscopy experiments
    • 2D 1H and 13C NMR spectroscopy experiments
    • Spectral interpretation
    • Practical aspects of performing the NMR experiments at the spectrometer
    • Mass spectrometry and molecular modeling to complement and interpret results from experimental NMR data

    Modules

    Theory 7.5 ETCS

    Lab course, 7.5 ECTS

    Teaching format

    The course runs daytime at a 50% pace, during the entire spring semester.
    On campus

    • Lectures and seminars will take place in the morning (9 am – noon)
    • Compulsory laboratory tasks, chromatography analysis, acquiring NMR and MS data will usually take place in the afternoon (1 pm – 6 pm) and sometimes as a full day of activities (9 am – 6 pm).

    Off campus

    • Self-study
    • Solving NMR spectral exercises
    • Finalizing reports of experiments performed in the laboratory

     

    Expected learning goals

    During the course you will acquire skills in the following:

    • Analysis of NMR spectra
    • Interpretation of spectral data in relation to three-dimensional structure of organic molecules
    • Performing NMR experiments at the spectrometer
    • Performing mass spectrometry (MS) experiments and analysis of data
    • Determining the absolute configuration of bioorganic compounds

     

                             

    Assessment

    • Written exam
    • Lab reports

    Examiner

    Course responsible:
    Göran Widmalm

    Office:       A627
    E-mail:      goran.widmalm@su.se

    Telephone: 0721-464748

  • Course literature

    Note that the course literature can be changed up to two months before the start of the course.

    High-Resolution NMR Techniques in Organic Chemistry, 3rd Edition, Paperback

    T.D.W Claridge

    ISBN: 9780080999869

    eBook ISBN: 9780080999937.

  • Contact

    Course responsible:
    Göran Widmalm

    Office:       A627
    E-mail:      goran.widmalm@su.se

     

     

    Chemistry Section & Student Affairs Office:

     

    Office:        Chemical Practice Laboratory M345
    E-mail:       chemistry@su.se