GENESIS

GENESIS generates Bruker-compatible pulse programs for NOAH (NMR by Ordered Acquisition using 1H detection) supersequences to enable acquisition of multiple 2D NMR datasets within reduced experiment durations.


Key Features:

  • Systematic pulse program generation: Automates creation of pulse programs for arbitrary NOAH supersequences, reducing manual effort and minimizing program construction errors.
  • Bruker compatibility: Produces pulse programs formatted for direct use on Bruker spectrometers.
  • Acquisition and processing scripts: Outputs acquisition and processing scripts required to run and process NOAH experiments.
  • Module concatenation and combinatorial exploration: Supports concatenation of five or more modules, enabling exploration of thousands of potential supersequences.
  • Integration of methodological advances: Incorporates new developments such as solvent suppression techniques, pure shift NMR modules, and artifact reduction strategies for HMBC and HMQC modules.

Scientific Applications:

  • Structural biology and biochemistry: Enables rapid and efficient acquisition of high-quality 2D NMR data for structural characterization and biochemical studies.
  • Method development and optimization: Facilitates testing and optimization of NOAH supersequences by exploring large numbers of concatenated module combinations.
  • High-throughput multi-2D acquisition: Supports acquisition strategies that obtain multiple 2D NMR datasets within reduced experimental timeframes.

Methodology:

Systematic generation of Bruker-compatible pulse programs with the ability to incorporate new modules such as solvent suppression, pure shift NMR modules, and artifact reduction strategies for HMBC and HMQC.

Topics

Details

License:
MIT
Cost:
Free of charge
Tool Type:
web application
Operating Systems:
Mac, Linux, Windows
Programming Languages:
C
Added:
6/13/2022
Last Updated:
6/13/2022

Operations

Data Inputs & Outputs

Publications

Yong JRJ, Kupče E, Claridge TDW. Modular Pulse Program Generation for NMR Supersequences. Analytical Chemistry. 2022;94(4):2271-2278. doi:10.1021/acs.analchem.1c04964. PMID:35050622. PMCID:PMC9082496.

PMID: 35050622
PMCID: PMC9082496
Funding: - Engineering and Physical Sciences Research Council: EP/L015838/1

Links