Verfahren und Vorrichtung zum Abschätzen der Molekülparameter in einer chromatografisch behandelten Probe

Details

Veröffentlichungs-Nr.

EP2647990

Aktenzeichen

EP13162366

Anmeldetag

4. April 2013

Veröffentlichung

24. Mai 2023

Erteilung

24. Mai 2023

Rechtsraum

EP

IPC

G01N30/86G01N30/72G01N33/68G06F17/17// G01N30/88G01N27/623

Abstract

The method comprises passing (100) a sample (E) through a processing chain including a chromatography step, obtaining (102) a representative signal of molecular parameters as a function of a variable of the processing chain, and estimating (104, 106, 108) the molecular parameters using a signal processing device by inverting a direct analytical model of the signal defined as the function of the molecular parameters and technical parameters of the processing chain. The processing chain includes a step for multiple measurements of the same product from the chromatography step. The method comprises passing (100) a sample (E) through a processing chain including a chromatography step, obtaining (102) a representative signal of molecular parameters as a function of a variable of the processing chain, and estimating (104, 106, 108) the molecular parameters using a signal processing device by inverting a direct analytical model of the signal defined as the function of the molecular parameters and technical parameters of the processing chain. The processing chain includes a step for multiple measurements of the same product from the chromatography step. The direct analytical model of the signal comprises modeling of the measurement step, where the modeling requires a common characteristic of the signals obtained from the measurements. The common characteristic comprises a common chromatographic temporal form of the obtained signals. The multiple-measurements step comprises tandem mass spectrometry of products from the chromatography step such as selected reaction monitoring spectrometry. The direct analytical model is described as given in the specification. The direct analytical model is inverted by minimizing a squared error according to the least squares criterion or by a Bayesian inversion method. The squared error to be minimized is a regularized squared error as given in the specification. An independent claim is included for a device for estimating molecular parameters in a sample.

Anmelder

Firma

Commissariat à l'Énergie Atomique et aux Énergies Alternatives

Land

🇫🇷 Frankreich

Fachgebiete