Mnova qNMR

Mnova qNMR, developed by Mestrelab Research, is a dedicated quantitative NMR analysis plugin designed for concentration and purity/potency determination. It is built for analytical chemists, organic chemists, medicinal chemists, biochemists, and QC experts working in academic, government, and industrial settings. The tool provides a streamlined qNMR workflow that spans manual, assisted, and fully automated batch processing modes, making it accessible to both expert users and non-experts operating within controlled QC environments.

At its core, Mnova qNMR works by counting the protons or heteronuclei contributing to a spectral signal and converting them into concentration or purity values using standardized processes. It supports a wide range of analysis types including Internal and External Reference Standards as well as Electronic Reference methods such as ERETIC, QUANTAS, and PULCON, and accommodates both singleton and repeat/replicate analyses.

Key Features

• qGSD Deconvolution: The quantitative Global Spectral Deconvolution (qGSD) algorithm combines deconvolution techniques for handling overlapped signals with the robustness of sum integration for isolated resonances. It delivers highly accurate integrals for well-resolved signals while also providing the resolving power needed to handle partially overlapping peaks.
• Concentration and Purity Method Creation: Users can configure concentration and purity determination methods using a concentration conversion factor (CCF), an artificial signal, or the residual solvent signal with a score threshold. The tool automatically adjusts for changes in receiver gain or scan numbers, and supports standardized operations for replicates suitable for SOP implementation.
• Advised Analysis Tool for Purity Determinations: This feature automatically identifies key parameters such as molecular weight, sample weight, and reference compound, then applies optimized settings to carry out the NMR analysis and calculate compound purity, saving significant time on analysis configuration.
• Batch and Real-Time Processing: Mnova qNMR integrates with the Mnova Gears and MyGears automation suites. The Gears Concentration brick enables automated extraction of compound concentration from batch NMR data, either from libraries or during data acquisition. The Gears Purity brick calculates the potency of an API based on an internal reference standard. Both tools support high-throughput analyses with minimal user intervention.

Recent Enhancements in qNMR 3.3

• Concentration workflow: Introduced a newly formatted report for improved readability, added the ability to zoom in on a multiplet by double-clicking a row in the results table, and a new reporting menu enabling users to generate Mnova reports, export as .text, or copy reports as plain text.
• Purity workflow: Added an option to export the Results Table as CSV and improved handling of replicate-based purity analysis tables.
• Gears Purity: The replicates table is now displayed in the Purity Results tab within the Mgears Viewer.

Supported Analysis Workflows

• Manual analysis for individual samples with full user control over parameters.
• Assisted analysis using the Advised Analysis tool for guided purity determinations.
• Fully automated batch processing via Mnova Gears for high-throughput environments.
• Replicate and repeat analyses to support robust statistical reporting.

Help, Resources, and Documentation

• Comprehensive guides including the qNMR Purity Recipe Book covering sample preparation, NMR acquisition, and data processing.
• Video tutorials and webinars, including workshops on quantification by NMR and automated qNMR data processing and analysis.
• Technical resources covering topics such as qGSD, edited sum integration, optimal pulse length for acquisition, and the latest qNMR experiments.

Mnova qNMR is available as a plugin for Mnova Core and integrates with related products including Gears Purity, Gears Concentration, and SMA Mixtures Analysis. It is available on Windows, macOS, and multiple Linux distributions including RHEL 8/9/10, Ubuntu 22.04/24.04, Debian 13, and as an AppImage. A 45-day free trial is available for download.