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Concentration,

Automated Concentration Analysis​

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.

Concentration

Features

Straightforward Implementation

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

Versatile Concentration Methods​

The Mnova Gears Concentration brick provides flexible analysis options to fit your workflows. It supports various methods, including the use of Concentration Conversion Factor (CCF) and internal references.

This flexibility ensures accurate and efficient concentration determination tailored to your specific needs.​

Automatic Selection and Ranking of Multiplets​

Various algorithms are available for selecting and ranking multiplets for analysis. You can choose to use the “Smallest RMSD for Concentration Average” method or customize the autoselection and ranking rules to fit your needs.

These rules can be used independently or combined with RMSD metrics to refine the selection process.​

Customize Report Layout​

Configure your sample and reference details to tailor your reports. Adjust layout options and settings to fit your specific needs and preferences.

Latest Concentration news
Webinar - Automated qNMR Data processing and Analysis

Webinar on Automated qNMR Data Processing and Analysis

A Behind the Scenes Look at Automated qNMR Data Processing and Analysis. Dr. Niccy Tonge (Mestrelab) described a case study explaining how to get more out of analytical data and make it available for other business purposes

Read more

Automated qNMR data processing and analysis in the behind the scenes of fragment-based drug discovery

“Back in 2017, only one project is using qNMR for solubility; since we implemented Mnova automated qNMR in 2018, all our projects are now using the method.”  Maggie Liu – Expert NMR Spectroscopist in the structural chemistry team – Institute of Cancer Research (ICR).

Read more

Mnova MyGears – App Note

MyGears in action – Automated qNMR, Structure Verification and Spectrum Suitability Testing with ONE Click.

Read more
Help & Resources

Guides and Manuals

Mnova Gears - Manual

Videos

Webinar on Automated qNMR Data Processing and Analysis

Resources

Mnova MyGears - App Note
Concentration

Related Applications

Academic, Government & Industrial

Target Audience

Analytical Chemist​
Organic Chemists​
Medicinal Chemists​
Biochemists​
QC Experts​
Concentration

Case Studies

automated-qnmr-data-processing-and-analysis-in-the-behind-the-scenes-of-fragment-based-drug-discovery-case-study

Automated qNMR data processing and analysis in the behind the scenes of fragment-based drug discovery

“Back in 2017, only one project is using qNMR for solubility; since we implemented Mnova automated qNMR in 2018, all our projects are now using the method.”  Maggie Liu – Expert NMR Spectroscopist in the structural chemistry team – Institute of Cancer Research (ICR).

Read more
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