Concentration Analysis by NMR in Automation
The Mnova Gears Concentration brick allows an automated and controlled extraction of compound concentration from batch NMR data in libraries or at the point of data acquisition.
It turns peak integrals into concentrations based on an internal or external reference and generates an automatic report with all the results.
Help & Resources
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Features
Make the most out of this very simple automation workflow:
- Process and analyze the data
- Select the peaks most suitable for quantitation
- Integrate those peaks as well as the reference ones or use external reference values
- Turn integrals into concentrations from libraries or at the point of data acquisition
Mnova Gears Concentration brick can use different types of analysis methods based on:
- Concentration Conversion Factor (CCF)
- Internal Reference
- It includes multiplet autoselection algorithms and a set of rules that you can customize as needed.
- Choose the algorithm and the ranking rules to take into account when ranking multiplets:
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- Multiplets with smallest RMSD for the concentration average
- Multiplets ranked using autoselection rules
- Multiplets ranked using autoselection rules then by the smallest RMSD
Set your sample and reference information for your reports!
Academic, Government & Industrial
Markets
Who should be using Mnova Gears Concentration?
- Pharmaceutical, chemical industries, research, and QC environments
- Process chemistry
- Pharmaceutical compound libraries
- Suitable for individual users, research groups as well as large institutions and companies
Success Stories
Case Studies
Automated qNMR data processing and analysis in the behind the scenes of fragment-based drug discovery
Bringing new drugs into the market is a long, complex process that often requires several years of investigation and considerable human, technological, and economic resources. In the labs of the Cancer Research UK Cancer Therapeutics Unit at The Institute of Cancer Research, London, a Fragment-Based Drug Discovery (FBDD) program has been established for screening and identifying lead compounds with potential therapeutic effects that may serve as starting points for the development of potent drug candidates… Read More
