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采用液相色谱-质谱数据的三线成分建模技术快速、无干扰地分析能量饮料中的九种 B 族维生素。

Rapid and interference-free analysis of nine B-group vitamins in energy drinks using trilinear component modeling of liquid chromatography-mass spectrometry data.

机构信息

State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, People's Republic of China.

State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, People's Republic of China.

出版信息

Talanta. 2018 Apr 1;180:108-119. doi: 10.1016/j.talanta.2017.12.036. Epub 2017 Dec 15.

DOI:10.1016/j.talanta.2017.12.036
PMID:29332787
Abstract

The aim of the present work was to develop a rapid and interference-free method based on liquid chromatography-mass spectrometry (LC-MS) for the simultaneous determination of nine B-group vitamins in various energy drinks. A smart and green strategy that modeled the three-way data array of LC-MS with second-order calibration methods based on alternating trilinear decomposition (ATLD) and alternating penalty trilinear decomposition (APTLD) algorithms was developed. By virtue of "mathematical separation" and "second-order advantage", the proposed strategy successfully solved the co-eluted peaks and unknown interferents in LC-MS analysis with the elution time less than 4.5min and simple sample preparation. Satisfactory quantitative results were obtained by the ATLD-LC-MS and APTLD-LC-MS methods for the spiked recovery assays, with the average spiked recoveries ranging from 87.2-113.9% to 92.0-111.7%, respectively. These results acquired from the proposed methods were confirmed by the LC-MS/MS method, which shows a quite good consistency with each other. All these results demonstrated that the developed chemometrics-assisted LC-MS strategy had advantages of being rapid, green, accurate and low-cost, and it could be an attractive alternative for the determination of multiple vitamins in complex food matrices, which required no laborious sample preparation, tedious condition optimization or more sophisticated instrumentations.

摘要

本工作旨在开发一种基于液相色谱-质谱(LC-MS)的快速、无干扰方法,用于同时测定各种能量饮料中的九种 B 族维生素。本研究构建了一个智能且绿色的策略,该策略使用基于交替三线性分解(ATLD)和交替惩罚三线性分解(APTLD)算法的二阶校正方法,对 LC-MS 的三向数据阵列进行建模。该策略通过“数学分离”和“二阶优势”,成功解决了 LC-MS 分析中洗脱时间小于 4.5min 和样品制备简单的共洗脱峰和未知干扰问题。ATLD-LC-MS 和 APTLD-LC-MS 方法用于加标回收率测定,获得了令人满意的定量结果,平均加标回收率范围为 87.2-113.9%至 92.0-111.7%。通过 LC-MS/MS 方法对这些结果进行了验证,结果表明它们之间具有很好的一致性。所有这些结果表明,所开发的化学计量学辅助 LC-MS 策略具有快速、绿色、准确和低成本的优点,可作为一种有吸引力的替代方法,用于测定复杂食品基质中的多种维生素,无需繁琐的样品制备、繁琐的条件优化或更复杂的仪器。

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