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Automated Regularized Deconvolution for Eliminating Extra-Column Effects in Fast High-Efficiency Separations

delete2023-07-10
delete9
PRE
AI
T
Troy T. Handlovic
M
M. Farooq Wahab
S
Souvik Roy
R
Ronald E. Brown
D
Daniel W. Armstrong *
DOI:10.1021/acs.analchem.3c01279delete
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摘要

摘要

En 中文
With the introduction of ultrahighefficiency columnsand fastseparations, the need to eliminate peak deformation contributed bythe instrument must be effectively solved. Herein, we develop a robustframework to automate deconvolution and minimize its artifacts, suchas negative dips, wild noise oscillations, and ringing, by combiningregularized deconvolution and Perona-Malik (PM) anisotropicdiffusion methods. A asymmetric generalized normal (AGN) functionis proposed to model the instrumental response for the first time.With no-column data at various flow rates, the interior point optimizationalgorithm extracts the parameters describing instrumental distortion.The column-only chromatogram was reconstructed using the Tikhonovregularization technique with minimal instrumental distortion. Forillustration, four different chromatography systems are used in fastchiral and achiral separations with 2.1 and 4.6 mm i.d. columns. OrdinaryHPLC data can approach highly optimized UHPLC data. Similarly, infast HPLC-circular dichroism (CD) detection, 8000 plates were gainedfor a fast chiral separation. Moment analysis of deconvolved peaksconfirms correction of the center of mass, variance, skew, and kurtosis.This approach can be easily integrated and used with virtually anyseparation and detection system to provide enhanced analytical data.
Keyword:
CHROMATOGRAPHY

期刊

Analytical Chemistry 封面图
Analytical Chemistry
IF:
6.7
论文数:
4.7W
被引数:
15.9W

机构

U
university of texas system
学者数:
18.5W
论文数: 15.6W
被引数: 210
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