4 ECTS credits
120 h study time

Offer 1 with catalog number 4023286FNR for all students in the 2nd semester at a (F) Master - specialised level.

Semester
2nd semester
Enrollment based on exam contract
Impossible
Grading method
Grading (scale from 0 to 20)
Can retake in second session
Yes
Taught in
English
Partnership Agreement
Under interuniversity agreement for degree program
Faculty
Faculty of Sciences and Bioengineering Sciences
Department
Chemistry
External partners
Universiteit Gent
Educational team
Frederic LYNEN (course titular)
Activities and contact hours
18 contact hours Lecture
6 contact hours Seminar, Exercises or Practicals
Course Content

NMR

  • Manipulating nuclear spins
  • Nuclear spin relaxation
  • Manipulation of two-core spin systems
  • Introduce multiple dimensions
  • In the wake of a measurement: NMR in practical terms
  • Principle and use of pulsed magnetic field gradients for modern NMR spectroscopy
  • Solvent suppression: work in the presence of an intense signal
  • Dynamic effects and the NMR time scales
  • Resolution without extra costs? "Pure shift" methods
  • Translate conformation-sensitive parameters into a spatial structure
  • New trends

 XRD

  • Crystallization procedures for organic molecules and (bio) macromolecules
  • Data collection and processing
  • Crystallography of small (organic) molecules
    • Direct methods
    •  
    • Absolute configuration
  • Crystallography of (bio) macromolecules
    • Molecular displacement
    • Anomalous scattering
    • Structure refinement
  • Databases and structure validation
Additional info

References

The following handbooks are relevant with regard to the NMR spectroscopy section but are not mandatory purchases:

High-Resolution NMR techniques in Organic Chemistry 2nd Edition. Timothy DW Claridge

Elsevier, ISBN-13: 978-0-08-054628-5.

This book is available electronically via Ufora.

Understanding NMR spectroscopy, J. Keeler, 2nd Edition, Wiley, ISBN: 1119964938. This book is available electronically via Ufora.

Crystallography made Crystal Clear (Gale Rhodes)

Biomolecular Crystallography: Principles, Practice, and Application to Structural Biology (Bernhard Rupp)

Crystal structure determination (William Clegg)

Learning Outcomes

general competencies

  1. Being able to read NMR pulse sequences and predict the spectrum.
  2. To be able to read the scientific literature on NMR spectroscopy and X-ray diffraction and to understand the most important results
  3. To have insight into the different parameters that are required to correctly collect X-ray data and how these structural models (accuracy, validity, etc.) influence
  4. To have insight into the NMR parameters that have an impact on a practical measurement and on signal processing
  5. To be able to use and apply different crystallization and solution methods in theory and practice to solve crystallographic problems.
  6. Being able to draw up simple NMR pulse sequences and simulate their results
  7. To have insight into the way in which conformation-sensitive parameters obtained with NMR techniques can be converted into a spatial structure.
  8. To have knowledge of recent trends in NMR spectroscopy for organic structure analysis

Grading

The final grade is composed based on the following categories:
Written Exam determines 100% of the final mark.

Within the Written Exam category, the following assignments need to be completed:

  • written with a relative weight of 100 which comprises 100% of the final mark.

Additional info regarding evaluation

Written exam

Allowed unsatisfactory mark
The supplementary Teaching and Examination Regulations of your faculty stipulate whether an allowed unsatisfactory mark for this programme unit is permitted.

Academic context

This offer is part of the following study plans:
Master of Chemistry: Analytical and Environmental Chemistry