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QAMS
Separations · 2022 ·Vol. 9 ·期 6 ·140 · IF 3.344

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

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

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.

研究领域: 食品科学 · 分析化学 · 植物学
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FOOD CHEMISTRY · 2020 · IF 6.306

Quantitative analysis of bioactive components in walnut leaves by UHPLC-Q-Orbitrap HRMS combined with QAMS

Chaonan Su,Caihong Li,Kang Sun,Wenjing Li,Rongxia Liu

Walnut leaves are rich in phenolic components with antibiotic and antioxidative effects. However, few studies have reported the quantitative analysis of active components in walnut leaf. In this study, a novel method for quantifying the active components in walnut leaves was developed by combining ultra-high performance liquid chromatography-hybrid quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) with quantitative analysis of multi-components by a single marker (QAMS). In total, 13 bioactive components were analyzed by a single marker, quercetin. To evaluate the accuracy of this method, an auxiliary quantification method with 13 reference standards was established and validated. The standard method differences (SMDs) of the quantification results between QAMS and the auxiliary method were lower than 20%, indicating that the QAMS method can accurately determine the active components in walnut leaves. This method can provide a reference to address the absence of reference standards for analyzing other foods and herbs.

研究领域: 植物化学 · 分析化学 · 药学
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JOURNAL OF HAZARDOUS MATERIALS · 2022 · IF 14.224

Quantitative analysis of metabolites in the aflatoxin biosynthesis pathway for early warning of aflatoxin contamination by UHPLC-HRMS combined with QAMS

Xiao Wang,Ya Zhao,Xin Qi,Tiantian Zhao,Xiupin Wang,Fei Ma,Liangxiao Zhang,Qi Zhang,Peiwu Li

Aflatoxins seriously threaten human health and food safety, and early warning benefits the reasonable use of control measures to reduce aflatoxin contamination. In this study, a novel method for quantifying aflatoxins and their precursors in the aflatoxin biosynthesis pathway was developed by combining ultra-high performance liquid chromatography high-resolution mass spectrometry (UHPLC-HRMS) with quantitative analysis of multi-components by a single marker (QAMS). The stability of the relative correction factor (RCF) of QAMS was then systematically evaluated. The validation results showed that the relative deviation (RD) between QAMS and the external standard method (ESM) was less than 11.7%, indicating that the established QAMS method could replace ESM without the use of reference standards. This method was successfully employed to compare the time-course changes of metabolites in the aflatoxin biosynthesis pathway of Aspergillus flavus and Aspergillus parasitica. As a result, the precursors of (1'S,5′R)−5′-Hydroxyaverantin (HAVN) and Versicolorin B (VerB) could be used as potential markers for the early warning of aflatoxin contamination. This study provided a quantitative method of aflatoxins and their precursors in the biosynthesis pathway, and may serve as a reference for the extension of quantitative studies on other metabolic pathways.

研究领域: 食品安全 · 分子生物学
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Separations · 2024 ·Vol. 11 ·期 9 ·276 · IF 2.5

Development of a QAMS Analysis Method for Industrial Lanolin Alcohol Based on the Concept of Analytical Quality by Design

Kaidierya Abudureheman,Qinglin Wang,Hao Zhang,Xingchu Gong

The Analytical Quality by Design (AQbD) concept was adopted to establish a quantitative analysis of multi-components with a single marker (QAMS) method for industrial lanolin alcohol, targeting cholesterol, lanosterol, and 24,25-dihydrolanosterol. The potential critical method parameters (CMPs) were identified as column temperature, flow rate, and gradient. Definitive screening design and statistical modeling were employed to optimize the gradient conditions of the mobile phase, column temperature, and flow rate. The Method Operable Design Region (MODR) was determined using a risk-based quantification approach. The robustness was assessed using a Plackett–Burman experimental design, followed by methodological validation. Optimal analytical conditions were as follows: acetonitrile (B)—water (A) mobile phase system; flow rate of 1.58 mL/min; detection wavelength of 205 nm; injection volume of 10 µL; and column temperature of 37 °C. A gradient elution program was implemented as follows: 0–19.0 min, 90.5% B; 19.0–25.0 min, 90.5–100% B; and 25.0–55.0 min, 100% B. Cholesterol served as an internal standard for quantifying lanosterol and 24,25-dihydrolanosterol, with relative correction factors of 0.4227 and 0.8228, respectively. This analytical method utilized only the cholesterol reference substance as an internal standard to quantify the content of cholesterol, lanosterol, and 24,25-dihydrolanosterol in industrial lanolin alcohol. It reduced the testing costs and enhanced efficiency, making it potentially suitable for widespread adoption in lanolin alcohol processing industries.

CAS / MDL: 57-88-5 911660-54-3
研究领域: 分析化学 · 生物医学
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Frontiers in Chemistry · 2025 · IF 4.2

UPLC fingerprinting combined with quantitative analysis of multicomponents by a single marker for quality evaluation of YiQing granules

YangHong Li,Bao Yu,Wei Zhao,Xiyu Pu,Xue Zhong,Xingbao Tao,Yunhong Wang,Weiguo Cao,Dan Zhang

Research background: YiQing granules (YQGs) are a patented drug commonly used in clinics in China. However, the quality control index of this preparation is relatively limited, which does not effectively ensure the quality of the product. Thus, a comprehensive quality evaluation of YQGs is lacking.Objective: The aim of this study was to establish a method for quantitative and qualitative analysis of YQGs based on ultra-high performance liquid chromatography-photodiode array detector (UPLC-PAD) fingerprint combined with quantitative analysis of multicomponents by a single marker (QAMS).Methods: We established and verified the comprehensive evaluation method that UPLC fingerprint combined with QAMS and stoichiometric method, to assess the overall quality of YQGs produced by different manufacturers. Berberine was selected as an internal reference, and the relative correction factors of coptisine, epiberberine, baicalin, berberine, palmatine, wogonoside, baicalein, wogonin, aloe-emodin, rhein, emodin, and chrysophanol were established.Study results: Results showed that the experimental time of the fingerprint was significantly reduced to approximately 0.5 h using the UPLC–PAD method. A total of 32 common peaks with similarity greater than 0.9 were identified. The accuracy of QAMS was compared with the external standard method, with no significant difference between the two methods.Conclusion: The UPLC fingerprint combined with QAMS method established in this study is feasible and reliable; it can be used for the comprehensive quality evaluation of YQGs and can provide a reference for the quality evaluation of other traditional Chinese medicine preparations.

CAS / MDL: 7664-38-2
研究领域: 药物分析 · 分析化学 · 质量控制 · 中医药学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2025 · IF 3.1

Gastrointestinal motility modulation efficacy-related chemical marker findings and QAMS-based quality control of Agastache rugosa

Guo-Zhen Jiang,Zhen-Yue Ma,Hui-Dan Hou,Jing Zhou,Fang Long,Jin-Di Xu,Shan-Shan Zhou,Hong Shen,Qian Mao,Song-Lin Li,Cheng-Ying Wu

Agastache rugosa (AR), a traditional edible and medicinal herb, is often used for treating gastrointestinal (GI) motility disorder. But little effort has been done on its gastrointestinal motility modulation (GMM) efficacy-related components and quality control of AR. In this study, a novel strategy was proposed to find GMM efficacy-related chemical markers for the quality control of AR. Firstly, network pharmacology and serum pharmacochemistry were applied to predict potential GMM efficacy-related marker components. Secondly, the GMM efficacy-related marker components were verified through literature matching, target isolation/identification and activity evaluation. Lastly, a quantitative analysis of multiple components by a single marker (QAMS)-based method for simultaneous quantification of marker components was established and validated by HPLC–DAD. The results showed that nine components in AR were screened as potential GMM related components, five of which (rosmarinic acid, tilianin, apigenin, acacetin, and cirsimaritin) were matched by literatures, and four (acacetin-7- O -(6''- O -malonyl)- β -D-glucopyranoside, agastachoside, acacetin-7- O -(2''- O -acetyl-6''- O -malonyl)- β -D-glucopyranoside, and isoagastachoside) were chemically identified and newly evaluated on zebrafish model. The nine components were used as marker compounds to develop an effective QAMS-based method for the quantitative evaluation of 26 batches of commercial AR samples.

CAS / MDL: 64-18-6
研究领域: 药理学 · 分析化学 · 中药学
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2024 · IF 4

A novel method for the simultaneous determination of flavonoids in Pteridium aquilinum via SPE combined with UPLC-DAD via QAMS

Jingwen Hao,Xuanxuan Fan,Naidong Chen,Ying Wang,Jun Xiao,Manman Zhang

A novel analytical method based on ultra-performance liquid chromatography-diode array detector (UPLC-DAD), solid-phase extraction (SPE), and quantitative analysis of multiple components by single marker (QAMS) was developed for the first simultaneous determination of 8 flavonoids in Pteridium aquilinum . The combination of QAMS and SPE demonstrated the convenient and economic advantages of the QAMS method while also exhibiting straightforward and cost-efficient advantages in terms of both the time and solvent usage of the SPE. The contents of the 8 flavonoids in P. aquilinum ranged from 0.59 to 697.08 μg/g. There were no substantial differences in the quantification when comparing the QAMS method and the external standard method (ESM). The standard deviations (SDs, %) obtained by QAMS and ESM were all less than 5 %. SPE increased the concentration of flavonoids by 4.18–18.9 times. The limits of detection (LODs) and quantification (LOQs) were in the ranges of 0.01–0.15 and 0.06–0.33 ng/g, respectively. Method validation revealed the linearity of the calibration curves (R 2 ≥ 0.9989), with recoveries between 97.02 % and 105 %, and the relative standard deviations (RSD) were all lower than 5 %. In addition, rhoifolin (4), apigenin (6), and amentoflavone (8) were first reported in P. aquilinum . The results suggested that this method was simple, reliable, and feasible for determining the flavonoids in P. aquilinum samples and could be further applied to various foods and herbal medicine samples.

CAS / MDL: 64-18-6
研究领域: 植物化学 · 分析化学 · 药学
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CHROMATOGRAPHIA · 2012 ·Vol. 75 ·期 15 ·883-892 · IF 1.195

Automated On-Line SPE/Multi-Stage Column-Switching and Benzoic Acid-Based QAMS/RODWs-HPLC for Oral Pharmacokinetics of Syringic Acid and Salicylic Acid in Rats

Zhou Wei,Zhang Yanhai,Ning Suli,Li Yan,Ye Mingli,Yu Yingjia,Duan Gengli

Automated on-line SPE/multi-stage column-switching and benzoic acid-based quantitative analysis of multi-components by single-marker/respective optimal detection wavelengths-high performance liquid chromatography (QAMS/RODWs-HPLC) as a novel analysis model was reported in the study; it obtained simple, effective, very low-cost, sensitive and reliable characteristics. This method has been set up for direct analysis of syringic acid, benzoic acid, and salicylic acid in rat plasma, and its application to the pharmacokinetic study of syringic acid and salicylic acid in rats. The chromatographic separation was performed on two C18 columns with the elution of methanol and 0.5 % formic acid aqueous solution in two pump systems, detection wavelengths of 230, 236, and 275 nm, 500-μL injection volume. Their linear ranges were between 0.008 and 166.7 μg mL −1 with correlation coefficient of 0.9977–0.9997. Benzoic acid-based QAMS/RODWs-HPLC was also compared with other two quantitative analysis methods (external standard method of RODWs-HPLC, internal standard method of RODWs-HPLC) based on pharmacokinetic data; the similarities of three analytical methods in accordance with separately obtained concentrations of syringic acid and salicylic acid in rats were 0.9997–0.9999 by the cosine value method of vectorial angle. The pharmacokinetics of syringic acid and salicylic acid were simultaneously studied in SD rats following 30 mg kg −1 intragastric administration, and their pharmacokinetic parameters were also estimated. This method was successfully applied to determination of syringic acid and salicylic acid in rat plasma samples and their oral pharmacokinetics in rats.

CAS / MDL: 530-57-4 69-72-7
研究领域: 分析化学 · 药理学 · 生物医学
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