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Class Structural Analysis

  • Presentation

    Presentation

    Structural Analysis is designed to provide students with comprehensive knowledge and practical skills in the instrumental methodologies essential for analyzing natural bioactive compounds. This curricular unit is crucial in the field of natural product chemistry, where the precise identification and quantification of chemical species are fundamental. Practical exercises complement the theoretical knowledge, ensuring students are well-prepared for professional roles that require expertise in structural identification. The importance of this curricular unit is highlighted by its role in the development of new therapeutic agents, ensuring the safety of natural products, and advancing research in bioactive compounds.
  • Code

    Code

    ULHT6812-4475
  • Syllabus

    Syllabus

    1. Nuclear Magnetic Resonance Spectroscopy      1.1. Physical principles       1.2. NMR spectra and molecular structure      1.3. 1H NMR and 13C NMR spectroscopy      1.4. Two Dimensional spectra (COSY, INADEQUATE, HETCOR, HMQC, HSQC, HMBC, NOESY) 2. Fundamentals of mass spectrometry      2.1. General aspects of mass spectrometry      2.2. Spectra interpretation and structural elucidation 3. UV/Visible Spectroscopy      3.1. Theoretical introduction      3.2. Sample preparation and spectral analysis      3.3. Applications in UV/Visible spectroscopy 4. Infrared and Raman spectroscopy      4.1. Theoretical principles      4.2. Sample preparation and structural analysis 5. Applications of techniques to natural bioactive      5.1. Hyphenated techniques: GC-MS and LC-MS       5.2. Qualitative and quantitative methods
  • Objectives

    Objectives

    The aim of this course is to provide students fundamental concepts on the main instrumental methodologies of analysis to develop optimal skills for structural elucidation of natural bioactive compounds. It is intended to provide theoretical knowledge and practical skills for the identification and/or quantification of chemical species from a sample. By addressing the theoretical foundations of the methods, allows the acquisition of skills for the chemical identification of natural bioactive. In this way it also becomes possible to identify similarities and differences between the spectroscopic methodologies, allowing the establishment of strategies for minimizing potential interferences in the analysis. In the theoretical-practical classes, exercises adapted to the magistral component will be performed, to apply the studied methodologies, and training the student for structural identification.
  • Teaching methodologies and assessment

    Teaching methodologies and assessment

    Teaching methodologies includes attending master classes (theoretical and theoretical-practical classes) and other non-presential tools (e.g., moodle). They are based on active learning, using the resolution of exercises and discussion of practical cases. A topic will be proposed within the UC on which the student must present a review work, oral presentation, and discussion, about a particular molecule based on the techniques covered in the UC, namely nuclear magnetic resonance spectroscopy, mass spectrometry, hyphenated techniques (GC-MS and LC-MS), UV/Visible spectroscopy, and infrared and Raman spectroscopy.
  • References

    References

    Silverstein, R. M., Webster, F. X., Kiemle,D. J., (2007) Identificação espectrométrica de Compostos Orgânicos., 7th edição, LTC Editora. Williams, D. H., Fleming, I., (2019) Spectroscopic Methods in Organic Chemistry, 7th ed., Springer. Hesse M., Meier H., Zeeh B., (2021) Spectroscopic Methods in Organic Chemistry, 3rd ed. Georg Thieme Verlag Stuttgart, ISBN 9783132434080.  
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