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Lecture notes

Structural Biology - NMR

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Year 2 lecture notes on the topic NMR (Nuclear Magnetic Resonance), taught by Professor Steve Matthews at Imperial College London. Course: Bsc Biochemistry. Module: Structural Biology.

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  • February 2, 2023
  • 13
  • 2022/2023
  • Lecture notes
  • Steve matthews
  • Structural biology - nmr
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ntang6
TITLE DATE
NMR



Nuclear Magnetic Resonance


Chemical Applications -

Analytical: for correct product and its purity in synthesis
check

-structure: chemical shifts and coupling helps to identify molecular structure
-
3D structure: measure distances w/ Nuclear Overhauser Effect (NOES
-Molecular Interactions: mapping w/chemical shift and NOES
-
Molecular dynamics: relaxation and the NMR time scale to monitor

Kinetic and characterize movement of proteins
Medical Applications
- NMR
Imaging: encode spatial dimension in data

e.g. MRI for soft tissues, X-rays for bones
-metabolomics: take bodily fluids (blood, urine) to get metabolic
profiling of organisms

Nuclear Properties
any nucleus can be characterised by mass, charge and nuclear angular momentum (P)

p =
c(I)I + 1(I)
where h = Planck's constant and I: nuclear spin


All subatomic particles (protons, neutrons and electrons) possess an intrinsic angular momentum,
I (the
property of nuclear spins

-nucleus rotates about an axis


-vector (direction and magnitude (

-w/magnetic momentum n =
5P
where is the of the nucleus
gyromagnetic ratio
larger 8, larger spin




When charged particles spin, there is magnetic moment m ... a
magnetic
field is generated (acc. to right hand rule (



anticlockwisespin 0:Mup +(spinstate"z)
clockwise spin t= down t (spin value-")(




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, TITLE DATE




There are (2I+1) possible states of spin between -
1 and I



either no. of protons or neutrons is

odd, spin= (multiples of 2)
(2x+ 1) ... 2 possible spin states
↳ 2 and -42
both no. of protons and neutrons are
odd, spin= I

12x 1+ 1).:3 possible spin states
↳-1,0 and 1

·no. of protons & no. of neutrons are

both even, spin = 0 (no total spin

and higher abundance higher sensitivity
largers =




According to Pauli Exclusion
* Principle, 2 particles on same
energy level cannot have same spin


In NMR, nuclei is exposed to an external magnetic field


excited State:spin is antiparallel to

external magnetic field
opposite:higher energy


ground state: spin parallel
is to external

magnet field
same direction ... lower energy

Energy gap (OE) depends on strength
applied magnetic field
of and z
>larger energy gap: higher sensitivity


apply electromagnetic radiation to promote nuclei from ground state to excited state

(energy gained (
change of state will cause a signal to be observed in NMR
↳ spectroscopy


This process of NMR spectroscopy is inefficient and cannot be used larger & more complex
biological molecules/ enzymes

Newer process involves Larmor precession




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