A Method for Rapid Determination of Chiral Substances Based on Restricted Alternating Trilinear Decomposition Algorithm and HPLC-DAD Instrument

Abstract

The invention discloses a method for rapidly measuring chiral substances based on a restricted alternating trilinear decomposition algorithm and a HPLC-DAD (high-performance liquid chromatography-diode array detection) instrument. The method comprises the following steps: first, preparing a calibration set sample, a verification set sample and a prediction set sample respectively, detecting the samples by the HPLC-DAD instrument, and then establishing a calibration model and performing regression analysis, namely, forming a three-dimensional data array X from the HPLC-DAD data of the calibration set sample, the verification set sample and the prediction set sample, then determining system factor number by combining vector subspace projection with Monte-Carlo simulation, and decomposing thethree-dimensional data array by using the restricted alternating trilinear decomposition algorithm and establishing the calibration model, and performing regression analysis on the concentration of the chiral substances in the verification sample and the prediction sample, to finally obtain the concentration of the chiral substances in the system. The method disclosed by the invention can effectively solve the problem of overlap of eluting peaks of the chiral substances, avoids the waste of much time for screening the column type and mobile phase of chiral column, and has the characteristicsof high speed, greenness and environmental friendliness.

Description

Background technique [0001] Chirality is an essential attribute of natural substances, and the activity and toxicity of chiral pesticide enantiomers are significantly different, and this difference is closely related to the environment. About 40% of the pesticides currently used in China are chiral substances, and with the continuous introduction of complex structures, this proportion is gradually increasing. Therefore, the establishment of a rapid detection method for chiral pesticides can not only effectively reduce the production cost of pesticides, but also reduce the input of pesticides into natural ecosystems, thereby reducing or avoiding the harm of pesticides to the ecological environment, animals and plants. [0002] At present, common chiral substance analysis methods include chemical resolution, enzymatic or microbial method and chromatographic resolution. Among them, chromatographic resolution has many obvious advantages and can meet the separation and determinatio...

AI Technical Summary

Problems solved by technology

However, the chiral stationary phase method has strong specificity, and one type of stationary phase can only resolve one or several types of enantiomers. At present, many chiral columns with different functions have been developed.

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