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NMR-based isotopic and isotopomic analysis.
Serge Akoka1, Gérald S Remaud1
1Université de Nantes, CNRS, CEISAM, UMR 6230, F-44000 Nantes, France.
Quantitative Nuclear Magnetic Resonance (qNMR) precisely measures intramolecular isotope profiles, revealing molecular origins. This technique offers valuable insights into biochemical pathways and aids in authentication and forensic investigations.
Area of Science:
- Analytical Chemistry
- Biochemistry
- Spectroscopy
Background:
- Biological and chemical processes preferentially utilize specific isotopes, leading to distinct isotopic compositions in molecules.
- Isotopic analysis provides crucial information about the origin and history of both natural and synthetic compounds.
- Mass spectrometry offers global isotope composition, while Nuclear Magnetic Resonance (NMR) spectroscopy enables site-specific analysis.
Purpose of the Study:
- To outline the requirements and experimental strategies for employing quantitative NMR (qNMR) to measure intramolecular isotope profiles.
- To define essential vocabulary and symbols for describing and quantifying isotopic content and changes.
- To present the theoretical framework and practical aspects of high-accuracy qNMR for isotope ratio measurement.
Main Methods:
- Development of quantitative NMR (qNMR) techniques for precise isotope ratio measurements.
- Application of qNMR to various nuclei beyond deuterium (2H).
- Establishment of theoretical principles and practical methodologies for intramolecular isotope profiling.
Main Results:
- Demonstration of qNMR's capability to measure isotope ratios at individual molecular positions.
- Development of a framework for understanding and quantifying isotopic fractionation in metabolic pathways.
- Successful application of qNMR in tackling counterfeiting, authentication, and forensic investigations.
Conclusions:
- Quantitative NMR is a powerful tool for determining intramolecular isotope profiles, offering unique insights into molecular origins.
- The developed methods provide a foundation for advanced isotopic analysis in various scientific fields.
- qNMR holds significant potential for future applications in authentication, forensics, and understanding biochemical processes.

