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Mnova has created a new plugin called SMA. A proven capability for concentration/purity determination already existed. Now SMA will allow you to analyse your mixtures.
There is an almost endless list of applications where SMA will automatically carry out your mixtures analysis for you:
You name it… foods, forensics, nutraceuticals, cosmetics, body fluids, impurity levels in fine chemicals (including solvents), edible oils, wines and fortified alcoholic drinks, fruit juices.
Recent high-profile cases in the USA have brought attention to the need for good, analytical procedures.
A user-specified equation defines the way to quantify using an internal concentration reference material or weight %. The formula editor tells us how quantification is to be performed for a constituent through basic math functions, and it can access to other compound concentrations. Nice!
SMA uses internal concentration reference compound peaks to automatically generate component concentrations.
We want to let you customize your mixtures analysis experiment so SMA can then be an automatic operation as much as possible. This does involve a preliminary development step – but remember that method development is what can lead to your intellectual property!
In a typical method development step you would design your experiment (internal reference, wt%, etc.), select your 1D/ 2D NMR experiments, acquire and inspect spectra of single components and, if possible, identify unique signal(s)- “targets” for that component in a mixture. A key step is knowing how to convert extracted areas to meaningful, quantitative results: implementing this in the SMA environment is easy!
A flexible equation editor fundamentally gives access to integrations from one or more spectra. You can easily combine data from multiple NMR experiments on a single sample. Simply specify in the equation editor how the integral(s) will be used for your quantitative results – the terms and syntax are very simple to understand and use, and there is lots of help available right where you need it.
Incorrectly selected multiplets can be manually adjusted for a correct analytical result, and the concentrations corrected. SMA will notify you if results fall outside preset ranges.
You can report on your own spectrum or either as a text or XML files. Reports will suit well internally and also for your customers. Use the XML file to update your corporate database with the results!
Your mixtures analysis tool (SMA) has now integrated the compound and spin system DB plus Peak Pattern Recognition (PPR) functionality. Import chemical shift ranges, number of nuclides and molecular weight in one click from your Mnova Database.
Even faster! Application of this analysis to routine samples is then significantly expedited when importing data from Mnova Database, using a work-flow that combines automated software analysis and user checking.
Component multiplets can be recognized using conventional methods, or with a novel pattern recognition algorithm (PPR) based on moment descriptors which facilitates the identification of any sets of peaks. This is the perfect combination among Mnova functionality for your mixtures analysis.
You can relax and let SMA do all the hard work related to quantifying mixtures with overlapping peaks using GSD and integration methods support.
SMA has the ability to run the analysis in batch mode and also fully automated as a “listener” (real time processing).
If you have heavy analysis demands you can use Batch SMA, automatically process all data in a specified directory. Listener SMA, automatically process spectra as they are produced by the spectrometer.
Your business will certainly appreciate it!