I am working on a mixture of three different API in my product. Their peaks are merging with each other. I would like to use chemometrics to solve my problem. Please suggest.
Hi,
Originpro software can be used for peak deconvolution and is a lot cheaper than UnscramblerX.
regards,
brett
Dear Bhupendra Shrestha , When you mention three API peaks, are you referring to 3 chromatographic unresolved (partially overlapping) peaks? If yes, it seems you are trying to circumvent an analytical problem instead of solving it by optimizing your analytical method/procedure. I can tell you that you are, most probably enlarging your problem as you will need, when submitting a MA or a Variation to a MA, to properly justify and validate the use of “numerical/chemometric” methods in the quality part of the medicines regulatory documentation. At that stage you will, most certainly, be asked to redo all the product development using properly validated procedures! Believe it or not, I have seen 18 months long drug stability studies being dumped to the garbage bin, and restarted from time=0, due to poor/unaccepted analytical methods/practice.
If you are working in a very early phase of the drug product development (with no GMP compliance) and with a tight budget I would recommend trying R or Python as they’re free to use – but again you will not most probably (I’m just guessing) be solving your problem.
Are you concerned about related substances/degradation products as well?
I own Unscrambler X (academic license) and I guess that commercial licenses (as well as for Origin) will be no less that 2-3K USD). Brett Turner mentions that Origin Pro is a lot cheaper but I'm not aware.
You should consult the requirements/guidance of the Regulatory Authorities you plan to communicate with.
Hope it helps,
Regards, Luis
Thank you very much to all of you. Right now I am using Unscrambler trial version. I am able to solve many problems with this software. Still, I am not able to calculate percentage purity of my formulation. Please help.
Dear Bhupendra Shrestha
Do you have the chromatograms for each of the individual API's? Is your detector a fixed WL or DAD? If you share (in a general format - Excel, tab delimites, comma separated values, etc) the mixture chromatogram data as well as the individual API chromatograms I can try to take a look and give you some feedback. Regards, Luis
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