Principles and Applications of NMR Spectroscopy

The objective of the course is to teach the basic aspects of nuclear magnetic resonance (NMR) spectroscopy, which is an important analytical tool in chemical and pharmaceutical industry for the structural characterization of molecules. The topics to be covered will include one-dimensional NMR, Chemical shifts, J-coupling, Interpretation of 1D NMR spectrum, Basics of 2D NMR, Different 2D NMR experiments and their application/interpretation, Application of 2D NMR for assignment of molecules and peptides.

Introduction to NMR spectroscopy.
The alignment of nuclear spins in presence of magnetic field.
Introduction to rotating frame.
Free induction decay and Fourier transformation of FID.
NMR Hardware.
The concept of chemical shift.
Factors that affect chemical shifts.
Chemical shift referencing.
J- coupling.
Recap of basics.
Introduction to general one dimensional NMR experiment.
Practical aspects of recording a 1D NMR experiment I.
Practical aspects of recording a 1D NMR experiment II.
Lec14 Practical aspects of recording a 1D NMR experiment III.
NMR Data processing.
Basic aspects of 1D proton NMR analysis.
Analysis of an example 1D proton spectrum.
Analysis of 1D 1H NMR spectra of molecules I.
Analysis of 1D 1H NMR spectra of molecules II.
1D 13C NMR.
Why do we need 2D NMR.
A qualitative explanation of how 2D NMR experiment works.
Principles of 2D COSY and Total correlation spectroscopy (2D TOCSY).
2D NOE-spectroscopy.
2D NOESY and 2D ROESY.
What is heteronuclear correlation NMR spectroscopy.
Sensitivity enhancement of heternuclei via polarization transfer.
Heteronucler multiple(2D HMQC) and single quantum NMR spectroscopy (2D HSQC).
Practical aspects of recording and processing 2D HMQC or HSQC.
HMBC and its utility.
2D HSQC TOCSY and its analysis with examples.
Structure determination of molecules by NMR.
Structure determination of peptides I.
Structure determination of peptides II.
Structure determination of peptides III.
Chemical exchange.
Hydrogen or deuterium exchange.
Diffusion ordered spectroscopy DOSY I.
DOSY II.
STD NMR for drug target interactions.