Intelligent Peak and Spectrum Deconvolution Using Photodiode Array Detector

A novel data analysis technique named i-PDeA II (Intelligent Peak Deconvolution Analysis II) has been developed for extracting two or more target peaks from unseparated peaks using data from three-dimensional photodiode array (PDA) detector with a multivariate curve resolution-alternating least squares (MCR-ALS). It also employs an expectation maximization (EM) algorithm with a bidirectional exponentially modified Gaussian (bemg) model function as a constraint for chromatograms and a huge number of PDA spectra aligned with the time axis. The i-PDea II function can automatically extract respective peak profiles and absorption spectra from unseparated elution band. Through this investigation, we confirm the following issues that reveal accuracy, precision, and applicability of i-PDea II. 1) Deconvolution for 2-component system. 2) Deconvolution for 3-component system with greatly different abundance ratio. 3) Investigation of the relationship between resolution and deconvolution accuracy. 4) Practical applications of i-PDeA II

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High Performance Liquid Chromatography (HPLC & UHPLC)
Peak and Spectrum Deconvolution, Intelligent Peak Deconvolution Analysis (i-PDeA II), Photodiode Array Detector
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