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Deuterium NMR
Kevin Paonessa
Yousef Layyous
1
Introduction
1. History of NMR
2. How it works
3. Deuterium NMR in Applied Sciences
4. Conclusion
2
History
1938 I.I Rabi proves magnetic
resonance in molecules.
1944 I.I Rabi wins Nobel Prize in
Physics
Images from Nobel Foundation Archive
3
History
1946, Felix Bloch (Stanford) and Edward Mills
Purcell (Harvard) independently use magnetic
resonance in water and paraffin.
1952, Bloch and Mills win Nobel Prize in
Physics.
Images from Nobel Foundation Archive
4
Physics
If number of neutrons and
number of protons are both
odd, nuclei has integer spin.
If number of neutrons +
protons is odd, we have half-
integer a spin.
Spin is the angular momentum of a
nucleus and a nucleus with spin
produce a magnetic field.
5
Physics
If a nucleus experiencing a magnetic
field is irradiated with electromagnetic
radiation, it will emit a specific
frequency wave.
Change of spin = Change of energy level
In NMR Radio Frequency is used to
irradiate and to receive the signal.
6
Physics
As the magnetic field is stronger, Delta E is larger.
Images from LibreTexts™
7
Image from Wikimedia Commons
8
The NMR Machine
Image from The NMR Facility
Pennsylvania state university
External Jacket
Nitrogen Jacket
Helium Jacket
Electromagnets
Radio generator and radio receiver and
amplifier
9
NMR in Applied Sciences
Biology
◦ Used to study lipid membrane behavior and interactions
(Membrane Biology).
Chemistry
◦ Used for the characterization of foods and beverages.
Biochemistry
◦ Used to identify proteins and other complex molecules.
Membrane
Biology
• Membrane systems have complex motions
• Solid-State NMR
• 2H has low natural abundance
• Anesthetic-Lipid Interactions
• used to study the
structure and dynamics
of lipid bilayers.
Anesthetic-Lipid
Interactions
•Effect of tetracaine on the order and dynamics
of the long chains of DMPC
•Deuterated tetracaine and DMPC
•Identified the location and structure of
Tetracaine/DMPC
Image from Deuterium NMR and High-Pressure FT-IR Studies of Membranes:
Anesthetic-Lipid Interactions and Molecular Dynamics in Lipid Bilayers by Michele
Auger, 1990.
Chemistry • Rapid analysis of foods and beverages
• Adulteration
• Site specific isotope ratios
• Isotopomers
• 2H content of sugars
• Used for the
characterization of
foods and beverages.
Conclusion
• Issac Rabi developed the proof of concept for
NMR, but Felix Bloch and Edward Mills were the
first people to develop a useful NMR machine.
• The property of spin in some nuclei is used to
localize the position of the atoms inside a
molecule using NMR.
• 2H NMR is used in biology to study lipid
membrane interactions
• Ideal for applications in food science
Reference
1. Freeman, R. (1995). A short history of NMR. Chemistry of Heterocyclic Compounds, 31(9), 1004-1005.
doi:10.1007/BF01165047
2. Solanki, A. (2009) Spectroscopy. Jaipur, India. Oxford Book company. 173-219.
3. Allwood, D. (September, 2017). NMR Spectroscopy: Basic Theory [Video file]. Retrieved from
https://www.youtube.com/watch?v=T3scEom1E1s
4. Auger Michèle. (1990). Deuterium NMR and high-pressure FT-IR studies of membranes: anesthetic-
interactions and molecular dynamics in lipid bilayers. University of Ottawa, Ottawa, Canada.
5. Radoicic, J., Lu, G. J., & Opella, S. J. (2014). NMR structures of membrane proteins in phospholipid
bilayers. Quarterly reviews of biophysics, 47(3), 249–283. doi:10.1017/S0033583514000080
6. Guillou, C., Remaud, G., & Martin, G. J. (1991). Application of deuterium NMR and isotopic analysis to
the characterization of foods and beverages. Trends in Food Science & Technology, 2, 85–89. doi:
10.1016/0924-2244(91)90634-u

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Nuclear Magnetic Resonance

  • 2. Introduction 1. History of NMR 2. How it works 3. Deuterium NMR in Applied Sciences 4. Conclusion 2
  • 3. History 1938 I.I Rabi proves magnetic resonance in molecules. 1944 I.I Rabi wins Nobel Prize in Physics Images from Nobel Foundation Archive 3
  • 4. History 1946, Felix Bloch (Stanford) and Edward Mills Purcell (Harvard) independently use magnetic resonance in water and paraffin. 1952, Bloch and Mills win Nobel Prize in Physics. Images from Nobel Foundation Archive 4
  • 5. Physics If number of neutrons and number of protons are both odd, nuclei has integer spin. If number of neutrons + protons is odd, we have half- integer a spin. Spin is the angular momentum of a nucleus and a nucleus with spin produce a magnetic field. 5
  • 6. Physics If a nucleus experiencing a magnetic field is irradiated with electromagnetic radiation, it will emit a specific frequency wave. Change of spin = Change of energy level In NMR Radio Frequency is used to irradiate and to receive the signal. 6
  • 7. Physics As the magnetic field is stronger, Delta E is larger. Images from LibreTexts™ 7
  • 9. The NMR Machine Image from The NMR Facility Pennsylvania state university External Jacket Nitrogen Jacket Helium Jacket Electromagnets Radio generator and radio receiver and amplifier 9
  • 10. NMR in Applied Sciences Biology ◦ Used to study lipid membrane behavior and interactions (Membrane Biology). Chemistry ◦ Used for the characterization of foods and beverages. Biochemistry ◦ Used to identify proteins and other complex molecules.
  • 11. Membrane Biology • Membrane systems have complex motions • Solid-State NMR • 2H has low natural abundance • Anesthetic-Lipid Interactions • used to study the structure and dynamics of lipid bilayers.
  • 12. Anesthetic-Lipid Interactions •Effect of tetracaine on the order and dynamics of the long chains of DMPC •Deuterated tetracaine and DMPC •Identified the location and structure of Tetracaine/DMPC Image from Deuterium NMR and High-Pressure FT-IR Studies of Membranes: Anesthetic-Lipid Interactions and Molecular Dynamics in Lipid Bilayers by Michele Auger, 1990.
  • 13. Chemistry • Rapid analysis of foods and beverages • Adulteration • Site specific isotope ratios • Isotopomers • 2H content of sugars • Used for the characterization of foods and beverages.
  • 14. Conclusion • Issac Rabi developed the proof of concept for NMR, but Felix Bloch and Edward Mills were the first people to develop a useful NMR machine. • The property of spin in some nuclei is used to localize the position of the atoms inside a molecule using NMR. • 2H NMR is used in biology to study lipid membrane interactions • Ideal for applications in food science
  • 15. Reference 1. Freeman, R. (1995). A short history of NMR. Chemistry of Heterocyclic Compounds, 31(9), 1004-1005. doi:10.1007/BF01165047 2. Solanki, A. (2009) Spectroscopy. Jaipur, India. Oxford Book company. 173-219. 3. Allwood, D. (September, 2017). NMR Spectroscopy: Basic Theory [Video file]. Retrieved from https://www.youtube.com/watch?v=T3scEom1E1s 4. Auger Michèle. (1990). Deuterium NMR and high-pressure FT-IR studies of membranes: anesthetic- interactions and molecular dynamics in lipid bilayers. University of Ottawa, Ottawa, Canada. 5. Radoicic, J., Lu, G. J., & Opella, S. J. (2014). NMR structures of membrane proteins in phospholipid bilayers. Quarterly reviews of biophysics, 47(3), 249–283. doi:10.1017/S0033583514000080 6. Guillou, C., Remaud, G., & Martin, G. J. (1991). Application of deuterium NMR and isotopic analysis to the characterization of foods and beverages. Trends in Food Science & Technology, 2, 85–89. doi: 10.1016/0924-2244(91)90634-u