Concentration qNMR

Concentration Determination by qNMR

Is there anything in your sample? How much did you put in? Any APIs? Still intact? Degradation?

Consider NMR to determine the absolute concentration of all samples.  Whether you are performing library quality control, synthesis control or determining synthetic yields, of individual samples or high throughput, Bruker now offers you a rapid on-the-fly solution to quantification with the added benefit of structure consistency check.

Inherently quantitative, NMR enables rapid and straightforward quantification of solids and liquids without the need of method development or response factor calculations. Scientists have been using NMR for quantitative purposes for decades (first papers dated around 1960) and established methods accepted by the food, pharma and diagnosis industries.

The downside is that existing qNMR workflows rely on expert knowledge and/or well-trained analysts and detailed protocols.

Bruker’s concentration determination by qNMR streamlines this process with a fully automatic workflow from sample submission to report, making it the ideal solution for both experts and non-experts working in a pharmaceutical development environment, where quality is a must.

Quantification by MR

Your Benefits

Faster: NMR is inherently quantitative. There is no need to calculate response factors.

Versatile: no need to have a fully characterized reference standard for the analyte. Commercially available external reference standards are used.

All-in-one: concentration and structure confirmation in one single experiment.

High throughput: upon instrument calibration with an external standard, hundreds of samples can be run and absolute concentration determination calculated (PULCON method*) in full automation.

Reproducible: an automated workflow from acquisition to analysis decreases human error and variability.

Intuitive and flexible: straightforward manual interaction when desired.

Key Features

Straightforward sample submission through IconNMR automation software. „„ Default experiment with optimised parameters for qNMR are provided

Automated data analysis comprises internal standard peak identification and integration

Results are presented in different formats such as PDF report with spectral information and excel table output.

The automatic data analysis is based on Bruker’s proven algorithms for NMR quantification. These are either automatically called from the acquisition module or they can be manually executed. In addition to the automatic analysis, all processing features and the subsequent analysis are accessible for manual work in an easy-to-use fashion.

* Wider G, Dreier L. J. Am. Chem. Soc. 2006; 128: 2571

Concentration results

The user submits a sample with the structure for the analyte and the path to a reference experiment that was acquired on the same spectrometer with the same probe. The reference compound (ER) with known purity and concentration does not have to be the same as the analyte. The external standard methodology is based on PULCON (Wider G, Dreier L. J. Am. Chem. Soc. 2006; 128: 2571.)

Licensing

No need of extra licenses at the spectrometer form Topspin 3.5pl7.