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A special issue of Separations (ISSN 2297-8739). This special issue belongs to the section "Analysis of Food and Beverages".

Deadline for manuscript submissions: closed (5 May 2022) | Viewed by 35666

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Special Issue Editors

Dr. Xianjiang Li

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Guest Editor

National Institute of Metrology China, Beijing 100029, China
Interests: food safety; chromatography; mass spectrometry
Special Issues, Collections and Topics in MDPI journals

Dr. Rui Weng

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Guest Editor

Institute of Quality Standard and Testing Technology for Agro-Products, Chinese Academy of Agricultural Sciences, Beijing 100081, China
Interests: food analysis; bioactive compounds; nutrients; metabolomics; spatially resolved metabolomics; lipidomics; mass spectrometry; LC-MS

Special Issue Information

Dear Colleagues,

Food safety and quality always represent an important topic. The accurate quantification of related components (pesticides and veterinary drugs, mycotoxins, persistent organic pollutants, nutrient content, etc.) plays key roles in the guarantee of food safety and quality. Concerning food analysis, sample pretreatment aims to enrich target analytes and remove matrix components (lipids, proteins, salts, acids, pigments, etc.). New extraction or purification sorbents provide high specificity and efficiency for the targets. Combined strategies exhibit excellent performance in lowering matrix effects. Afterwards, detection techniques (chromatography, mass spectrometry, nuclear magnetic resonance and their tandom techniques) provide the final quantification results. Some statistical strategies show great potential in origin traceability, authenticity or adulteration.

This Special Issue welcomes any developments in novel sample pretreatment, detection techniques or statistical strategies to realize the accurate quantification of food components.

Dr. Xianjiang Li
Dr. Rui Weng
Guest Editors

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Keywords

sample pretreatment
GC-MS
LC-MS
qNMR
statistical strategy
pesticides and veterinary drugs
mycotoxin
persistent organic pollutants
nutrient content

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Published Papers (10 papers)

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Editorial

Jump to: Research, Review

3 pages, 187 KiB

Open AccessEditorial

Advances in Accurate Quantification Methods in Food Analysis

by Xianjiang Li and Rui Weng

Separations 2022, 9(11), 342; https://doi.org/10.3390/separations9110342 - 3 Nov 2022

Viewed by 1520

Abstract

Food safety is an important topic, and with the perfection of regulations and technologies, food safety is improving [...] Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

Research

Jump to: Editorial, Review

10 pages, 1333 KiB

Open AccessArticle

Quantitative Analysis of Anthocyanins in Grapes by UPLC-Q-TOF MS Combined with QAMS

by Xue Li, Wei Wang, Suling Sun, Junhong Wang, Jiahong Zhu, Feng Liang, Yu Zhang and Guixian Hu

Separations 2022, 9(6), 140; https://doi.org/10.3390/separations9060140 - 2 Jun 2022

Cited by 7 | Viewed by 2953

Abstract

A method for quantifying the anthocyanins in grapes was firstly developed by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UPLC-Q-TOFMS) combined with quantitative analysis of multi-components by single marker (QAMS). A total of 10 main anthocyanins were analyzed by using peonidin 3-O-glucoside as the reference standard. The accuracy of this method was evaluated by an established and validated external standard quantification method with 10 reference compounds. The standard method difference (SMDs) of the quantification results between QAMS and the external standard methodwasless than 15%. Furthermore, the QAMS method was used to analyzefour batches of grapes and the data was compared with those obtained using the external standard method. No significant difference wasobtained in the results obtained by both methods. These results indicated that the QAMS method could accurately determine the anthocyanins in grapes. This method can provide a basis to address the absence of reference standards for analyzing anthocyanins in other foods. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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10 pages, 460 KiB

Open AccessArticle

Green and Simple Extraction of Arsenic Species from Rice Flour Using a Novel Ultrasound-Assisted Enzymatic Hydrolysis Method

by Xiao Li, Qian Ma, Chao Wei, Wei Cai, Huanhuan Chen, Rui Xing and Panshu Song

Separations 2022, 9(5), 105; https://doi.org/10.3390/separations9050105 - 22 Apr 2022

Cited by 5 | Viewed by 2870

Abstract

It is well established that arsenic (As) has many toxic compounds, and in particular, inorganic As (iAs) has been classified as a type-1 carcinogen. The measuring of As species in rice flour is of great importance since rice is a staple of the diet in many countries and a major contributor to As intake in the Asian diet. In this study, several solvents and techniques for the extraction of As species from rice flour samples prior to their analysis by HPLC-ICP-MS were investigated. The extraction methods were examined for their efficiency in extracting various arsenicals from a rice flour certified reference material, NMIJ-7532a, produced by the National Metrology Institute of Japan. Results show that ultrasound-assisted extraction at 60 °C for 1 h and then heating at 100 °C for 2.5 h in the oven using a thermostable α-amylase aqueous solution was highly effective in liberating the arsenic species. The recoveries of iAs and dimethylarsinic acid (DMA) in NMIJ-7532a were 99.7% ± 1.6% (n = 3) and 98.1% ± 2.3% (n = 3), respectively, in comparison with the certificated values. Thus, the proposed extraction method is a green procedure that does not use any acidic, basic, or organic solvents. Moreover, this extraction method could effectively maintain the integrity of the native arsenic species of As(III), As(V), monomethylarsonate (MMA), DMA, arsenobetaine (AsB) and arsenocholine (AsC). Under the optimum extraction, chromatography and ICP-MS conditions, the limits of detection (LOD) obtained were 0.47 ng g⁻¹, 1.67 ng g⁻¹ and 0.80 ng g⁻¹ for As(III), As(V) and DMA, respectively, while the limits of quantification (LOQ) achieved were 1.51 ng g⁻¹, 5.34 ng g⁻¹ and 2.57 ng g⁻¹ for As(III), As(V) and DMA, respectively. Subsequently, the proposed method was successfully applied to As speciation analysis for several rice flour samples collected from contaminated areas in China. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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13 pages, 1502 KiB

Open AccessArticle

Analysis of Multiclass Pesticide Residues in Tobacco by Gas Chromatography Quadrupole Time-of-Flight Mass Spectrometry Combined with Mini Solid-Phase Extraction

by Rui Bie, Jiguang Zhang, Yunbai Wang, Dongmei Jin, Rui Yin, Bin Jiang and Jianmin Cao

Separations 2022, 9(5), 104; https://doi.org/10.3390/separations9050104 - 21 Apr 2022

Cited by 4 | Viewed by 3017

Abstract

A screening method using gas chromatography quadrupole time-of-flight mass spectrometry (GC-QTOF/MS) combined with mini solid-phase extraction (mini-SPE) was established for the quantification and validation of multiclass pesticide residues in tobacco. The method was quicker and easier, with sample purity higher than that obtained by traditional SPE and dispersed-SPE. Box-Behnken design, an experimental design for response-surface methodology, was used to optimize the variables affecting the target pesticide recovery. Under the optimized conditions, 92% of the pesticides showed satisfactory recoveries of 70%–120% with precision <20% at spiking levels of 50, 250, and 500 ng/g. The limits of detection and quantification for all the analyses were 0.05–29.9 ng/g and 0.20–98.8 ng/g, respectively. In addition, a screening method based on the retention time and a homebuilt high-resolution mass spectrometry database were established. Under the proposed screening parameters and at spiking levels of 50, 100, and 500 ng/g, 76.6%, 94.7%, and 99.0% multiclass pesticide residues were detected, respectively, using the workflow software. The validated method was successfully applied to the analysis of real tobacco samples. Thus, the combination of mini-SPE and GC-QTOF/MS serves as a suitable method for the quantitative analysis and rapid screening of multiclass pesticide residues in tobacco. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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17 pages, 2012 KiB

Open AccessArticle

Development of a High-Throughput Screening Analysis for 195 Pesticides in Raw Milk by Modified QuEChERS Sample Preparation and Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry

by Xingqiang Wu, Kaixuan Tong, Changyou Yu, Shuang Hou, Yujie Xie, Chunlin Fan, Hui Chen, Meiling Lu and Wenwen Wang

Separations 2022, 9(4), 98; https://doi.org/10.3390/separations9040098 - 12 Apr 2022

Cited by 14 | Viewed by 3548

Abstract

This study aimed to develop a simple, high-throughput method based on modified QuEChERS (quick, easy, cheap, effective, rugged, and safe) followed by liquid chromatography quadrupole time-of-flight mass spectrometry (LC-Q-TOF/MS) for the rapid determination of multi-class pesticide residues in raw milk. With acidified acetonitrile as the extraction solvent, the raw milk samples were pretreated with the modified QuEChERS method, including extraction, salting-out, freezing, and clean-up processes. The target pesticides were acquired in a positive ion electrospray ionization mode and an All ions MS/MS mode. The developed method was validated, and good performing characteristics were achieved. The screening detection limits (SDL) and limits of quantitation (LOQ) for all the pesticides ranged within 0.1–20 and 0.1–50 μg/kg, respectively. The recoveries of all analytes ranged from 70.0% to 120.0% at three spiked levels (1 × LOQ, 2 × LOQ, and 10 × LOQ), with relative standard deviations less than 20.0%. The coefficient of determination was greater than 0.99 within the calibration linearity range for the detected 195 pesticides. The method proved the simple, rapid, high throughput screening and quantitative analysis of pesticide residues in raw milk. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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20 pages, 4899 KiB

Open AccessArticle

QuEChERS Method Combined with Gas- and Liquid-Chromatography High Resolution Mass Spectrometry to Screen and Confirm 237 Pesticides and Metabolites in Cottonseed Hull

by Kaixuan Tong, Yujie Xie, Siqi Huang, Yongcheng Liu, Xingqiang Wu, Chunlin Fan, Hui Chen, Meiling Lu and Wenwen Wang

Separations 2022, 9(4), 91; https://doi.org/10.3390/separations9040091 - 2 Apr 2022

Cited by 3 | Viewed by 3883

Abstract

Cottonseed hull is a livestock feed with large daily consumption. If pesticide residues exceed the standard, it is easy for them to be introduced into the human body through the food chain, with potential harm to consumer health. A method for multi-residue analysis of 237 pesticides and their metabolites in cottonseed hull was developed by gas-chromatography and liquid-chromatography time-of-flight mass spectrometry (GC-QTOF/MS and LC-QTOF/MS). After being hydrated, a sample was extracted with 1% acetic acid in acetonitrile, then purified in a clean-up tube containing 400 mg MgSO₄, 100 mg PSA, and 100 mg C18. The results showed that this method has a significant effect in removing co-extracts from the oily matrix. The screening detection limit (SDL) was in the range of 0.2–20 μg/kg, and the limit of quantification (LOQ) was in the range of 0.2–20 μg/kg. The recovery was verified at the spiked levels of 1-, 2-, and 10-times LOQ (n = 6), and the 237 pesticides were successfully verified. The percentages of pesticides with recovery in the range of 70–120% were 91.6%, 92.8%, and 94.5%, respectively, and the relative standard deviations (RSDs) of all pesticides were less than 20%. This method was successfully applied to the detection of real samples. Finally, this study effectively reduced the matrix effect of cottonseed hull, which provided necessary data support for the analysis of pesticide residues in oil crops. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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14 pages, 2096 KiB

Open AccessEditor’s ChoiceArticle

Determination of Selenomethionine, Selenocystine, and Methylselenocysteine in Egg Sample by High Performance Liquid Chromatography—Inductively Coupled Plasma Mass Spectrometry

by Yue Zhao, Min Wang, Mengrui Yang, Jian Zhou and Tongtong Wang

Separations 2022, 9(2), 21; https://doi.org/10.3390/separations9020021 - 18 Jan 2022

Cited by 11 | Viewed by 4330

Abstract

The deficiency of selenium in dietary is recognized as a global problem. Eggs, as one of the most widely consumed food products, were readily enriched with selenium and became an important intake source of selenium for humans. In order to better understand the speciation and bioaccessibility of selenium in eggs, a simple and reliable approach that could be easily used in a routine laboratory was attempted to develop for analyzing selenium species. Three of organic selenium species (selenocystine, methylselenocysteine, and selenomethionine) in liquid whole egg were completely released by enzymatic hydrolysis and detected by high performance liquid chromatography in combination with inductively coupled plasma mass spectrometry (HPLC-ICP-MS). All the parameters in enzymatic hydrolysis and separation procedures were optimized. The effect of matrix in analysis was critically evaluated by standard addition calibrations and external calibrations. Under the optimal conditions, the spike recoveries of selenium species at 0.1–0.4 μg g⁻¹ spike levels all exceeded 80%. This method was successfully applied to the determination of selenium species in fresh egg and cooked eggs. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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13 pages, 1978 KiB

Open AccessArticle

Simultaneous Determination of 23 Mycotoxins in Broiler Tissues by Solid Phase Extraction UHPLC-Q/Orbitrap High Resolution Mass Spectrometry

by Youyou Yang, Zhuolin He, Lei Mu, Yunfeng Xie and Liang Wang

Separations 2021, 8(12), 236; https://doi.org/10.3390/separations8120236 - 4 Dec 2021

Cited by 2 | Viewed by 2590

Abstract

Mycotoxins are a type of toxins harmful for not only animal but also human health. Cooccurrence of multi-mycotoxins could occur for food infected by several molds, producing multi-mycotoxins. It is necessary to develop corresponding determination methods, among which current mass spectrometry (MS) dominates. Currently, the accurate identification and quantitation of mycotoxins in complex matrices by MS with low resolution is still a challenge since false-positive results are typically obtained. Here, a method for the simultaneous determination of 23 mycotoxins in broiler tissues using ultra-high performance liquid chromatography-quadrupole/orbitrap HRMS was established. After the extraction by acetonitrile-water-formic acid (80:18:2, v/v/v), the purification by multifunctional purification solid phase extraction cartridges and the chromatographic separation on a C18 column, representative mycotoxins were determined by HRMS in full scan/data-dependent MS/MS acquisition mode. The quantitation was based on the external standard method. An MS/MS database of 23 mycotoxins was established to achieve qualitative screening and simultaneous quantification. Mycotoxins had a good linear relationship within a certain concentration range with correlation coefficients (r²) larger than 0.991 as well as the limit of quantitation of 1.80–300 μg/kg. The average recoveries at three different levels of low, medium and high fortification were 61–111% with relative standard deviations less than 13.5%. The method was fast, accurate, and suitable for the precise qualification of multiple mycotoxins in broiler tissues. 15 μg/kg zearalenone (ZEN) was detected in one liver sample among 30 samples from markets including chicken breast meat, liver, and gizzards. The result illustrated that the pollution of ZEN should not be neglected considering its harmful effect on the target organ of liver. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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10 pages, 1073 KiB

Open AccessArticle

Determination of Fosetyl-Aluminum in Wheat Flour with Extract-Dilute-Shoot Procedure and Hydrophilic Interaction Liquid Chromatography Tandem Mass Spectrometry

by Xianjiang Li, Sheng Wang, Zhen Guo, Xiuqin Li, Qinghe Zhang and Hongmei Li

Separations 2021, 8(11), 197; https://doi.org/10.3390/separations8110197 - 24 Oct 2021

Cited by 9 | Viewed by 3271

Abstract

Fosetyl-aluminum is a widely used ionic fungicide. This pesticide is not amenable to the common multi-residue sample preparation methods. Herein, this paper describes a novel method for the simple and sensitive determination of fosetyl-aluminum residue in wheat flour. The sample preparation method involved extraction with water under ultrasonication and subsequent dilution with six-fold acetonitrile. The fosetyl-aluminum concentration was determined by hydrophilic interaction liquid chromatography tandem mass spectrometry. The limit of detection and quantification were only 5 and 10 ng/g, respectively, which meet the requirement of the current European legislation. Matrix-matched linearity (r² = 0.9999) was established in the range of 10–2000 ng/g. Satisfactory recoveries were achieved in the range of 95.6% to 105.2% for three levels of spiked samples (10, 50, and 100 ng/g). Finally, the method was applied to analyzing 75 wheat flour samples produced in four provinces in China. Two samples were positive with concentrations over the limit of detection. This is the first method focusing on fosetyl-aluminum determination in wheat flour with an extract-dilute-shoot strategy and is very promising for the routine quality control of fosetyl-aluminum in similar cereal matrices. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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Review

Jump to: Editorial, Research

16 pages, 1406 KiB

Open AccessReview

Determination of Antibiotic Residues in Aquaculture Products by Liquid Chromatography Tandem Mass Spectrometry: Recent Trends and Developments from 2010 to 2020

by Yueting Xiao, Shuyu Liu, Yuan Gao, Yan Zhang, Qinghe Zhang and Xiuqin Li

Separations 2022, 9(2), 35; https://doi.org/10.3390/separations9020035 - 29 Jan 2022

Cited by 23 | Viewed by 6182

Abstract

The issue of antibiotic residues in aquaculture products has aroused much concern over the last decade. The residues can remain in food and enter the human body through the food chain, posing great risks to public health. For the safety of foods and products, many countries have issued maximum residue limits and banned lists for antibiotics in aquaculture products. Liquid chromatography tandem mass spectrometry (LC/MS/MS) has been widely used for the determination of trace antibiotic residues due to its high sensitivity, selectivity and throughput. However, considering its matrix effects during quantitative measurements, it has high requirements for sample pre-treatment, instrument parameters and quantitative method. This review summarized the application of LC/MS/MS in the detection of antibiotic residues in aquaculture products in the past decade (from 2010 to 2020), including sample pre-treatment techniques such as hydrolysis, derivatization, extraction and purification, mass spectrometry techniques such as triple quadrupole mass spectrometry and high-resolution mass spectrometry as well as status of matrix certified reference materials (CRMs) and matrix effect. Full article

(This article belongs to the Special Issue Advances of Accurate Quantification Methods in Food Analysis)

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