Applied NMR Spectroscopy, 20-24 May 2024 (2 ECTS)

Instructor

Tobias Sparrman, tobias.sparrman@umu.se, Facility manager of the NMR Core Facility.

Contents and Aim

This course gives an overview of a set of Nuclear Magnetic Resonance (NMR) experiments applied in organic chemistry and life science. The lectures cover theoretical aspects of NMR phenomena and experiments; and how to derive molecular information from them. Practical exercises cover basic experimental setup and processing/analysis of 1D and 2D spectra. The students will acquire sufficient knowledge to run basic NMR experiments on their own with focus on acquisition, processing and interpretation of experiments used in assignment and structure determination of small molecules. Focus is on experiments based on detection of ¹H or ¹³C, but other nuclei such as ³¹P, ¹⁹F and ¹⁵N will also be covered. This basic knowledge will be essential for more advanced NMR applications such as ligand screening, structure determination of biopolymers and solid-state NMR.

Expected Learning Outcomes

At the end of the course, students should be able to:

• understand the basic NMR phenomena and experiments
• choose the relevant NMR experiments to obtain the desired molecular information
• run routine NMR experiments on their own at the KBC NMR platform
• discuss how a number of experimental setup and processing parameters affect the obtained spectra
• interpret 1D and 2D NMR data used for assignment and structure determination of small molecules
• be able to suggest strategies for investigations of chemical structure by NMR

Course information

Level: PhD/ Postdoc (Third cycle)

Language: English

Qualifications required: Preference is given to KBC group members with a limited number of spots for external users, including non-UmU/SLU affiliations.

Number of students: 5 – 10

Literature:
Nuclear Magnetic Resonance, P. J. Hore, 2nd ed. Oxford University Press, ISBN: 978-0-19-870341-9.

Assessment and evaluation

The course will be examined through the mandatory labs, computer exercises and a final bigger assignment task that will take 1-2 days to complete.

Schedule

Monday 20/5
10.00-12.00 Lecture I - NMR Introduction and Basic Concepts
14.00-15.30 The NMR spectrometer – Lecture + virtual visit NMR lab and IconNMR

Tuesday 21/5
10.00-12.00 Lecture II - Heteronuclei, NOEs, Assignment, Pulses
13.00-16.00 Computer exercise – 1D NMR Processing and Assignment

Wednesday 22/5
10.00-12.00 Lecture III - 2D NMR and Experiments for Protein Structures
13.00-15.00 Grp 1, NMR 850: NMR Lab 1 Basic NMR Setup
15.00-17.00 Grp 2, NMR 850: NMR Lab 1

Thursday 23/5
10.00-11:00 Lecture IV – NMR dynamics and Two site exchange
11.00-12.00 Computer exercise – Two site exchange
13.00-15.00 Grp 2, NMR 850: NMR Lab 2 2D NMR Setup on Tripeptide.
15.00-17.00 Grp 1, NMR 850: NMR Lab 2 Experiment for Assignment and Structure: COSY, TOCSY, HSQC & ROESY

Friday 24/5
09.00-10:00 Lecture V – 2D Processing and Assignment Strategies
10:00- Computer exercise - 2D NMR Processing/Analysis