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Development of a novel alternating quadrilinear decomposition algorithm for the kinetic analysis of four-way room-temperature phosphorescence data

机译:新型交替四线性分解算法用于四向室温磷光数据动力学分析的开发

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Four-way room-temperature phosphorescence (RTP) data recorded by following the kinetic evolution of excitation-emission phosphorescence matrices (EEPMs) have been analyzed for the first time by third-order calibration based on parallel factor analysis (PARAFAC), alternating weighted residue constraint quadrilinear decomposition (AWRCQLD) and alternating quadrilinear decomposition (AQLD) algorithms. The AQLD constructed in pseudo-fully stretched matrix forms of quadrilinear model was a new third-order calibration algorithm, which was developed as a direct extension of alternating trilinear decomposition for quadrilinear data. These methodologies were applied to investigate the hydrolysis kinetic of carbaryl even in the presence of an uncalibrated phosphorescence background and comparisons among them were done subsequently. Spectral background drift produced in measured dataset was overcome by means of modeling the drift as an additional component as well as the analyte of interest in the mathematical model. Satisfactory results were obtained for determination of carbaryl in spiked tap water samples. The spectral and kinetic time profiles resolved by these methodologies were in good agreement with experimental observations. The present work successfully faced the difficulty in investigating the hydrolysis kinetic of analyte with the RTP techniques, opening a new approach for third-order data generation and subsequent third-order calibration.
机译:通过基于并行因子分析(PARAFAC)的三阶校准,交替加权残渣进行三阶校准,首次分析了遵循激发-发射磷光矩阵(EEPM)动力学演化记录的四向室温磷光(RTP)数据。约束四线性分解(AWRCQLD)和交替四线性分解(AQLD)算法。以伪完全拉伸矩阵形式的四线性模型构造的AQLD是一种新的三阶校准算法,它是对四线性数据进行交替三线性分解的直接扩展。这些方法学即使在未校准的磷光背景下也被用于研究西维因的水解动力学,随后进行了比较。通过在数学模型中将漂移建模为附加组件以及目标分析物,可以克服在测量数据集中产生的光谱背景漂移。对于加标自来水样品中的甲萘威,测定结果令人满意。通过这些方法解析的光谱和动力学时间曲线与实验观察结果非常吻合。目前的工作成功地克服了使用RTP技术研究分析物水解动力学的难题,为三阶数据生成和后续的三阶校准开辟了新途径。

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