Novel automated identification and quantification database using liquid chromatography quadrupole time-of-flight mass spectrometry for quick, comprehensive, cheap and extendable organic micro-pollutant analysis in environmental systems

Kadokami, Kiwao; Miyawaki, Takashi; Takagi, Sokichi; Iwabuchi, Katsumi; Towatari, Hironori; Yoshino, Tomohiro; Yagi, Minoru; Aita, Y.; Ito, Tomoko; Takemine, Syusuke; Nakajima, Daisuke; Li, Xuehua

doi:10.1016/j.aca.2022.340656

Cited by 4 publications

(1 citation statement)

References 25 publications

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“…Since its inception, AIQS-DB has been widely utilized in numerous studies to concurrently analyze organic compounds in various sample matrices, such as river water samples [3][4][5][6], groundwater samples [7][8][9], sediment samples [10][11][12], wastewater samples [13][14][15], and dust samples [16][17][18]. Moreover, AIQS-DB has been adapted for use with other analytical instruments, including LC/MS/MS and LC-TOF/MS, making it an expedient, comprehensive, cost-effective, and scalable approach for identifying organic micro-pollutants [6]. The ability of AIQS-DB to analyze up to 970 compounds simultaneously in GC/MS and 508 compounds in LC-QTOF-MS or LC/MS makes it an ideal tool for non-target analysis across a broad range of sample matrices and applications.…”

Section: Introductionmentioning

confidence: 99%

AIQS-DB: Revolutionizing the Simultaneous Analysis of Organic Compounds

Bui

Nguyen

et al. 2023

Applied Sciences

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This paper reports a database, namely, the Automated Identification and Quantification Database System (AIQS-DB), which consists of three components, including retention times, mass data, and calibration curves, without the requirement to analyze standard substances. The AIQS-DB that are pre-registered in the database are used as the replacement for the process of measuring chemical standards. Both the target and unknown substances in the real samples were determined by the same conditions of GC-MS as those used for the initial database register in the AIQS-DB system. The article provides a comprehensive overview of the wide-ranging applications of AIQS-DB in various fields and highlights its usefulness as a tool for the simultaneous analysis of organic compounds in different matrixes such as water, soil, sediment and air, etc. It could be considered as the basis in further applications of the AIQS-DB method in determining organic compounds in other fields, specifically biology, food, agriculture, medicine, etc., allowing assessment and reflection on the quality and status of the studied products quickly and cost-effectively.

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Section: Introductionmentioning

confidence: 99%

AIQS-DB: Revolutionizing the Simultaneous Analysis of Organic Compounds

Bui

Nguyen

et al. 2023

Applied Sciences

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Liquid Chromatography/Mass Spectrometry in Environmental Analysis

Mattarozzi

Careri

2023

Encyclopedia of Analytical Chemistry

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Liquid chromatography‐mass spectrometry (LC‐MS) has expanded the analytical framework for the analysis of polar organic contaminants in complex matrices primarily through advances in high‐resolution mass spectrometry, ion mobility spectrometry, evolving repository databases, and data mining software. Over the last 10 years, the analytical trends toward a comprehensive characterization of emerging environmental contaminants along with their degradation and transformation products have driven the move from target analysis of few tens of compounds to wide‐scope target screening, as well as the development of strategies aimed at suspect screening of ‘known unknowns’ and the more challenging nontarget analysis for the identification of ‘unknown unknowns’. In this context, there is also an urgent need to give objective and unambiguous evidence of the confidence level of identification from a large list of tentatively identified substances, as well as to automate the evaluation process toward a more reproducible and harmonized approach. This article represents a third edition of a previous manuscript by Mattarozzi and Careri, (1) which was updated to take into account the huge progress in MS instrumentation and related methodologies and also advances in environmental analytical chemistry. In this article, among the environmental applications of LC‐MS, current and innovative approaches for the analysis of selected classes of emerging pollutants, such as micro‐ and nanoplastics, per‐ and poly‐fluoroalkyl substances, and transformation products in environmental samples are discussed, attempting to have a global coverage on the most recent research studies regarding the development of methodologies for the contaminants of high concern for the environment.

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AIQS-DB: Revolutionizing Simultaneous Analysis of Organic Compounds

Bui¹,

Nguyen²,

Le³

et al. 2023

Preprint

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This article summarizes studies using the AIQS-DB method to analyze various types of samples for different purposes. This is a method developed to simultaneously analyze nearly 1500 compounds and is widely used worldwide. The method is highly effective for environmental samples such as water, soil, sediment, and air. Recognizing its potential, this article aims to promote the further application and development of AIQS-DB in research related to food analysis and source tracing. Furthermore, if a suitable dataset can be constructed, it could help research quickly and cost-effectively discover the new bioactive compounds from plant medicine.

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Novel automated identification and quantification database using liquid chromatography quadrupole time-of-flight mass spectrometry for quick, comprehensive, cheap and extendable organic micro-pollutant analysis in environmental systems

Cited by 4 publications

References 25 publications

AIQS-DB: Revolutionizing the Simultaneous Analysis of Organic Compounds

AIQS-DB: Revolutionizing the Simultaneous Analysis of Organic Compounds

Liquid Chromatography/Mass Spectrometry in Environmental Analysis

AIQS-DB: Revolutionizing Simultaneous Analysis of Organic Compounds

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