Bruker Biospin Gmbh

Kimberly Colson

Michael Fey

Werner E Maas

Christian Fischer

Eckhard Bez

Robert Krull

Brian Marquez

Don Piroli

Joshua M Hicks

Carsten Kuhl

A spectroscopic method for calculating a limit of quantification and a relative error includes: 1. selecting an error function F(C); 2. providing a blank spectrum; 3. recording a reference spectrum with a signal content of the substance being investigated; 4. determining start concentrations; 5.a. multiplying the reference spectrum with the signal content of the substance by a factor; 5.b. adding the resulting spectrum to the blank spectrum and determining the corresponding concentration of the substance and calculating the corresponding relative error; 6. iteratively adapting parameters of the selected error function F(C): recording a measurement spectrum of the test sample and determining the concentration of the substance being investigated using 5.b. and comparing with the calculated limit of quantification and calculating the relative error by applying the error function from step 6.

Method and device for the automatable determination of the limit of quantification and the relative error when quantifying the concentration of a substance to be investigated in a test sample

A monitoring cell, used to perform a measurement in an NMR spectrometer of a reaction fluid produced by a reaction vessel, has a body having inlet and outlet transport coaxial capillaries for transporting the reaction fluid between the body and the reaction vessel. Cooling lines are also positioned coaxially with the transport capillaries to transport cooling liquid between the body and the reaction vessel. The cell further has a hollow sample probe for insertion into the NMR spectrometer and a coupler section that removably connects the sample probe to the body so that the inlet transport capillary extends through the body into the interior of the sample probe and the outlet transport capillary is sealed to the sample probe to allow reaction fluid that enters the sample probe via the inlet transport capillary to exit the sample probe via the outlet transport capillary.

NMR reaction monitoring flow cell

An automated screening device that performs standardized system suitability tests and evaluations and measures components of a submitted sample to assist in the quality control screening of raw materials, ingredients, pharmaceuticals, chemicals, polymers, food products, petroleum and many other materials. After determining the performance suitability of an NMR spectrometer, the system permits samples to be submitted for screening. An NMR spectrum of a sample is acquired and a qualitative analysis unit identifies at least one reference NMR spectrum corresponding a compound present in the sample and a quantitative analysis unit integrates relative signal intensity signals of the sample spectrum in regions of peak intensity in the one reference NMR spectrum and compares integration results to a number of atoms in each region in order to confirm identification of the compound.

Method and apparatus for automated raw material screening

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Westford, MA, United States of America

Kimberly Colson