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Calculation of coherence pathway selection and cogwheel cycles
Alexej Jerschow1, Rajeev Kumar
1Department of Chemistry, New York University, 100 Washington Square East, 10003, New York, NY, USA. alexej.jerschow@nyu.edu
Journal of Magnetic Resonance (San Diego, Calif. : 1997)
|February 5, 2003
Summary
This study presents a C++ program for calculating coherence pathway selection in Nuclear Magnetic Resonance (NMR) pulse sequences using phase cycles. It introduces shorter cogwheel cycles for improved efficiency in experiments like MQMAS.
Area of Science:
- Nuclear Magnetic Resonance (NMR) Spectroscopy
- Physical Chemistry
- Computational Chemistry
Background:
- Coherence pathway selection is crucial for designing effective NMR pulse sequences.
- Existing methods for phase cycle calculations can be computationally intensive or less efficient.
Purpose of the Study:
- To develop and present a C++ program for calculating coherence pathway selection via phase cycles.
- To introduce and test novel, shorter cogwheel phase cycles.
- To provide a publicly available tool for NMR researchers.
Main Methods:
- Development of a C++ program for calculating coherence pathway selection.
- Implementation of a module for calculating cogwheel phase cycles.
- Derivation and experimental testing of new cogwheel cycles for specific NMR experiments.
Main Results:
- The C++ program successfully calculates coherence pathway selection.
- Shorter cogwheel phase cycles were derived and experimentally validated for 3/2 spin MQMAS experiments.
- New cogwheel cycles were also developed for MQNQMAS, STMAS, and PFG diffusion sequences.
Conclusions:
- The developed program and cogwheel cycles offer an efficient approach to NMR pulse sequence design.
- The tool and methods are applicable to various advanced NMR techniques.
- Public availability of the program facilitates broader adoption and research advancement.