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Nuclear Overhauser Effect
Nuclear Overhauser Effect (NNOOEE) 
• A change in the integrated NMR absorption 
intensity of a nuclear spin when the NMR 
absorption of another spin is saturated.
Nuclear Overhauser 
Effect
( s ) 
I I W 2 W 
0 
i i + + 
1 2 0 
0 
0 
2W W W 
I 
- 
= 
- 
h =
Macromolecules or in viscous solution 
W0 dominant, negative NOE at i due to s 
Small molecules in non-viscous solution 
W2 dominant, positive NOE at i due to s
Nuclear Overhauser Effect 
Brownian motion and NOE
t 
( ) 
( ( ) ) 
1 6 2 2 
w t 
i c 
t 
c 
0 6 2 2 
w w t 
i s c 
t 
c 
2 6 ( 1 
( )2 2 ) 
12 
1 
2 
1 
3 
+ + 
i s c 
i c 
r 
W 
r 
W 
r 
W 
w w t 
µ 
+ - 
µ 
+ 
µ 
When 1/tc >>w0 (or tc 
2 
w0 
2 <<1 ) extreme narrowing limit 
W 3 t 2 t 12 
t µ c µ c µ 
c 
1 6 0 6 2 6 
r 
W 
r 
W 
r
When 1/tc >> w0 (or tc 
2 
w0 
2 <<1 ) 
extreme narrowing limit 
W t t t µ 3 c µ 2 c µ 
12 
c 
1 6 0 6 2 6 
r 
W 
r 
W 
r 
( ) ( - 
) 
t 
12 2 / 
6 
( ) 1/ 2 
W - 
W 
2 0 
2 6 12 2 / 
6 
1 2 0 
s I I 
0 
0 = 
+ + 
= 
+ + 
= 
- 
= 
r 
r 
W W W 
I 
c 
c 
h 
i i t 
For homo-nuclear hmax = 0.5 
For hetro-nuclear hmax = 0.5 (gs/gi)
When 1/tc ~ w0 (or tc w0 ~ 1 ) M.W.~ 103 
W2 and W0 effect are balanced. h max ~ 0 
improvement: 
• Change solvent ofr temperature 
• Using rotating frame NOE
When 1/tc < w0 (or tc w0 >> 1 ) M.W. > 104 
W0 dominant , h max = -1 
application 
Useful technique for assigning NMR spectra of protein
Nuclear Overhauser Effect & distance 
NOE 1 
µ æ 6 
t · ÷øö çè 
f ( c ) 
r
citraconic acid mesaconic acid
Nuclear overhouse effect
Nuclear overhouse effect

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Nuclear overhouse effect

  • 2. Nuclear Overhauser Effect (NNOOEE) • A change in the integrated NMR absorption intensity of a nuclear spin when the NMR absorption of another spin is saturated.
  • 4. ( s ) I I W 2 W 0 i i + + 1 2 0 0 0 2W W W I - = - h =
  • 5. Macromolecules or in viscous solution W0 dominant, negative NOE at i due to s Small molecules in non-viscous solution W2 dominant, positive NOE at i due to s
  • 6. Nuclear Overhauser Effect Brownian motion and NOE
  • 7. t ( ) ( ( ) ) 1 6 2 2 w t i c t c 0 6 2 2 w w t i s c t c 2 6 ( 1 ( )2 2 ) 12 1 2 1 3 + + i s c i c r W r W r W w w t µ + - µ + µ When 1/tc >>w0 (or tc 2 w0 2 <<1 ) extreme narrowing limit W 3 t 2 t 12 t µ c µ c µ c 1 6 0 6 2 6 r W r W r
  • 8. When 1/tc >> w0 (or tc 2 w0 2 <<1 ) extreme narrowing limit W t t t µ 3 c µ 2 c µ 12 c 1 6 0 6 2 6 r W r W r ( ) ( - ) t 12 2 / 6 ( ) 1/ 2 W - W 2 0 2 6 12 2 / 6 1 2 0 s I I 0 0 = + + = + + = - = r r W W W I c c h i i t For homo-nuclear hmax = 0.5 For hetro-nuclear hmax = 0.5 (gs/gi)
  • 9. When 1/tc ~ w0 (or tc w0 ~ 1 ) M.W.~ 103 W2 and W0 effect are balanced. h max ~ 0 improvement: • Change solvent ofr temperature • Using rotating frame NOE
  • 10. When 1/tc < w0 (or tc w0 >> 1 ) M.W. > 104 W0 dominant , h max = -1 application Useful technique for assigning NMR spectra of protein
  • 11. Nuclear Overhauser Effect & distance NOE 1 µ æ 6 t · ÷øö çè f ( c ) r