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ASA PPT NOESY

This document discusses Nuclear Overhauser Effect Spectroscopy (NOESY), which is a 2D NMR technique that provides information about protons that are close in space within a molecule. NOESY works based on the Nuclear Overhauser Effect (NOE), where the signal of one proton is affected by another nearby proton through dipolar coupling rather than J coupling. The intensity of cross peaks in a NOESY spectrum relates to the distance between protons, allowing NOESY to determine relative stereochemistry and aid in structure determination of biomolecules. Optimal mixing time is important to obtain clear cross peaks without spin diffusion peaks.

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795 views15 pages

ASA PPT NOESY

This document discusses Nuclear Overhauser Effect Spectroscopy (NOESY), which is a 2D NMR technique that provides information about protons that are close in space within a molecule. NOESY works based on the Nuclear Overhauser Effect (NOE), where the signal of one proton is affected by another nearby proton through dipolar coupling rather than J coupling. The intensity of cross peaks in a NOESY spectrum relates to the distance between protons, allowing NOESY to determine relative stereochemistry and aid in structure determination of biomolecules. Optimal mixing time is important to obtain clear cross peaks without spin diffusion peaks.

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govind ashokrao
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© © All Rights Reserved
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-:ADVANCED SPECTRAL ANALYSIS:-

TOPIC:- NOESY ( NUCLEAR OVERHAUSER

EFFECT SPECTROSCOPY )

Presented by : Presented to :
Govind Dr. Somashekar PL
Dept of Ph. chemistry

Govt college of pharmacy Bengaluru


Introduction:
1) NOE (Nuclear Overhauser Effect).
2) NOESY (Nuclear Overhauser Effect Spectroscopy).
-:NOE ( Nuclear Overhauser Effect):-
 Is a phenomenon in which the signal of H is affected by the
another H close in space when it is irradiated
 Interaction in the space through dipolar coupling
 Not through physical connection

 Not through J coupling


 The distance of 5 – 6 0 A
 This coupling arises due to the dipolar interaction between the

two spins close in the space ( through space effect)

 Not exact distance.

 This method used to determine the proximity between the two

spins that will helps to determine the structure of the

compound.

 For structural determination of biomolecules. Kathbutrick get

the Nobel prize because he pioneered the use of NOESY for

structural determination of biomolecules.


1) NOESY (Nuclear Overhauser Effect Spectroscopy):-
 The NOESY has a base in the NOE and is a 2D version of this
experiment which protons in a molecule are in close proximity.
 Its spectrum is particularly useful to assign the relative
stereochemistry ( cis and trans)
 The NOESY spectrum of a poly peptide that shows proton 2 &
5 close space.
The intensity of cross peak in 2D NOESY is related to the distance
between two protons :-

I α 1/ r6
 Thus, from the intensity ( volume) of the peak the distance can
be estimated
 Because of the 1/r6 , the intensity falls rapidly with increase in
distance.
 Exact valve cannot be estimated accurately from intensity.
 However , to known the approximate distance , a known distance
between two atoms in the molecule and the corresponding

intensity of cross peak between two atoms is taken as reference

I/I ref α r6 ref / r6

Relation of intensity cross peak with mixing time


 The sufficient mixing delay / optimal delay is given for transfer
of magnetization
 Too much delay or less delay will interrupt the intensity of the
cross peak.
I α mixing time
 when too long mixing time is used , cross peak
between two atoms > 5-60 A can appear due to spin
diffusion.
 This can cause the wrong distance between two atoms
 Hence mixing time has carefully chosen to avoid the
spin diffusion peaks.
 150-300ms for small molecules, 60-100ms for proteins.
Applications

 The NOESY experiment helps to determine the


proximity between the protons in space.
 Its spectrum is particularly useful to assign the
relative stereochemistry ( cis and trans)
 This will helps in structural determination of
biomolecules.
Reference:-
1. NPTEL; Principle and Application of NMR
Spectroscopy. (youtube)
2.Pavia, DL, Lampman, G.M& kriz, G, S
Introduction to spectroscopy:1979.6th edition.
Thank you

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