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Presentation Topic:
Application of Nuclear Magnetic
Resonance (NMR)
Course Title: Instrumental Methods of Chemical Analysis
Course Code: ACCE 360
Applied Chemistry & Chemical Engineering
Presentation Date: 21-11-2017
Md. Subrata Kumar Biswas
ID -20131207058
Dept. of ACCE
Definition:
Nuclear Magnetic Resonance is a branch of spectroscopy that deals
with the phenomenon found in assemblies of large number of nuclei of
atoms that possess both “magnetic moments” and “angular
momentum” is subjected to external magnetic field.
Nuclear Magnetic Resonance (NMR) spectroscopy is an analytical
chemistry technique used in quality control and reserach for
determining the content and purity of a sample as well as its molecular
structure.
Nuclear Magnetic Resonance (NMR)
Introduction
Now a days , NMR has become a sophisticated and powerful
analytical technology that has found a variety of applications
in many disciplines of scientific research, medicine, and
various industries.
Modern NMR spectroscopy has been emphasizing the
application in bimolecular systems and plays an important
role in structural biology.
APPLICATIONS OF NMR
IN MEDICINE
 BRAIN
 Distinguishing gray matter & white matter
 Imaging posterior fossae, brain stem, spinal cord
 Detect demyelinating lesions, tumors, hemorrhages, infarctions
 ABDOMEN
oMetabolic liver disease
oMeasures liver iron over load in hemochromatosis
oFocal areas of inflammation in chronic active hepatisis.
KIDNEYS
o Distinguishing renal cortex & medulla
o To evaluate transplanted kidney
PELVIS
o Differentiates between Benign prostatic hyperplasia & prostatic
carcinoma
o Detects bladder tumours
HEART
o Tomographic images of heart muscle, chambers, valvular structures
o ECHO-PLANAR TECHNIQUE
o Discrimination between infarcted, ischemic & normal myocardium
APPLICATIONS OF NMR
• MUSCULO SKELETAL SYSTEM
 Demonstrates Osteo myelitis, tumor metastasis in vertebral bodies &
pelvic bones
 Images of muscles, tendons, ligaments
• BLOOD VESSELS & FLOW
 Atherosclerotic vascular disease
 Assess blood flow in major vessels.
• INVIVO SPECTROSCOPY
 Chemical shift phenomenon
 Diagnosis of rare disease to inborn errors-Mc Ardle’s syndrome
 INVIVO Analysis of Bone flouride content.
APPLICATIONS OF NMR
Protein folding: The most powerful tool for determining the residual
structures of unfolded proteins and the structures of folding
intermediates.
Ionization state: The most powerful tool for determining the
chemical properties of functional groups in biomacromolecules, such as
the ionization states of ionizable groups at the active sites of enzymes.
Protein hydration: A power tool for the detection of interior water
and its interaction with biomacromolecules.
APPLICATIONS OF NMR
Material science: A powerful tool in the research of polymer
chemistry and physics.
Hydrogen bonding: A unique technique for the DIRECT detection of
hydrogen bonding interactions.
Metabolite analysis: A very powerful technology for metabolite
analysis.
APPLICATIONS OF NMR
APPLICATIONS OF NMR IN PHARMACEUTICAL RESEARCH
Leading technology for 3-D structure determination of bio-
macromolecules
Studying protein structure
Structure-activity relationship(SAR) by NMR – Novel lead compounds
Chemical shift mapping – Structural information on the binding
modes and site positions
Molecular dynamics, conformational analysis
SHAPES
NMR – SOLVE
 Structural genomics
Identifying gene products in disease
Targets of drug design.
Drug Discovery Research:
 NMR has become the single most powerful form of spectroscopy in both
chemistry and structural biology. The recent technical advances have remarkably
increased the range of applications for NMR in the study of protein–ligand
interactions.
 These form the basis for its most exciting uses in the drug discovery process,
which range from the simple identification of whether a compound (or a
component of a mixture) binds to a given protein, through to the determination
of the full three-dimensional structure of the complex, with all the information
this yields for structure-based drug design .
THANK YOU

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Application of nmr id 20131207058 presentation 21 11-2017 - copy - copy

  • 2. Presentation Topic: Application of Nuclear Magnetic Resonance (NMR) Course Title: Instrumental Methods of Chemical Analysis Course Code: ACCE 360 Applied Chemistry & Chemical Engineering Presentation Date: 21-11-2017 Md. Subrata Kumar Biswas ID -20131207058 Dept. of ACCE
  • 3. Definition: Nuclear Magnetic Resonance is a branch of spectroscopy that deals with the phenomenon found in assemblies of large number of nuclei of atoms that possess both “magnetic moments” and “angular momentum” is subjected to external magnetic field. Nuclear Magnetic Resonance (NMR) spectroscopy is an analytical chemistry technique used in quality control and reserach for determining the content and purity of a sample as well as its molecular structure. Nuclear Magnetic Resonance (NMR)
  • 4. Introduction Now a days , NMR has become a sophisticated and powerful analytical technology that has found a variety of applications in many disciplines of scientific research, medicine, and various industries. Modern NMR spectroscopy has been emphasizing the application in bimolecular systems and plays an important role in structural biology.
  • 5. APPLICATIONS OF NMR IN MEDICINE  BRAIN  Distinguishing gray matter & white matter  Imaging posterior fossae, brain stem, spinal cord  Detect demyelinating lesions, tumors, hemorrhages, infarctions  ABDOMEN oMetabolic liver disease oMeasures liver iron over load in hemochromatosis oFocal areas of inflammation in chronic active hepatisis.
  • 6. KIDNEYS o Distinguishing renal cortex & medulla o To evaluate transplanted kidney PELVIS o Differentiates between Benign prostatic hyperplasia & prostatic carcinoma o Detects bladder tumours HEART o Tomographic images of heart muscle, chambers, valvular structures o ECHO-PLANAR TECHNIQUE o Discrimination between infarcted, ischemic & normal myocardium APPLICATIONS OF NMR
  • 7. • MUSCULO SKELETAL SYSTEM  Demonstrates Osteo myelitis, tumor metastasis in vertebral bodies & pelvic bones  Images of muscles, tendons, ligaments • BLOOD VESSELS & FLOW  Atherosclerotic vascular disease  Assess blood flow in major vessels. • INVIVO SPECTROSCOPY  Chemical shift phenomenon  Diagnosis of rare disease to inborn errors-Mc Ardle’s syndrome  INVIVO Analysis of Bone flouride content. APPLICATIONS OF NMR
  • 8. Protein folding: The most powerful tool for determining the residual structures of unfolded proteins and the structures of folding intermediates. Ionization state: The most powerful tool for determining the chemical properties of functional groups in biomacromolecules, such as the ionization states of ionizable groups at the active sites of enzymes. Protein hydration: A power tool for the detection of interior water and its interaction with biomacromolecules. APPLICATIONS OF NMR
  • 9. Material science: A powerful tool in the research of polymer chemistry and physics. Hydrogen bonding: A unique technique for the DIRECT detection of hydrogen bonding interactions. Metabolite analysis: A very powerful technology for metabolite analysis. APPLICATIONS OF NMR
  • 10. APPLICATIONS OF NMR IN PHARMACEUTICAL RESEARCH Leading technology for 3-D structure determination of bio- macromolecules Studying protein structure Structure-activity relationship(SAR) by NMR – Novel lead compounds Chemical shift mapping – Structural information on the binding modes and site positions Molecular dynamics, conformational analysis SHAPES NMR – SOLVE
  • 11.  Structural genomics Identifying gene products in disease Targets of drug design. Drug Discovery Research:  NMR has become the single most powerful form of spectroscopy in both chemistry and structural biology. The recent technical advances have remarkably increased the range of applications for NMR in the study of protein–ligand interactions.  These form the basis for its most exciting uses in the drug discovery process, which range from the simple identification of whether a compound (or a component of a mixture) binds to a given protein, through to the determination of the full three-dimensional structure of the complex, with all the information this yields for structure-based drug design .