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Comparison of new approach of GC-HRMS (Q-Orbitrap) to GC-MS/MS (triple-quadrupole) in analyzing the pesticide residues and contaminants in complex food matrices.

Saida Belarbi, Martin Vivier, Wafa Zaghouani, Aude De Sloovere, Valérie Agasse-Peulon, Pascal Cardinael,

Performances of multiresidue analysis of one hundred of pesticides and contaminants, using GC-Q-Orbitrap method in full scan mode were compared to those obtained with GC-triple-quadrupole method in multiple reaction monitoring mode. In terms of sensitivity, 86% of molecules exhibited lower limit of detection values using GC-Q-Orbitrap than using GC-triple-quadrupole. For ... Read more >>

Food Chem (Food chemistry)
[2021, 359:129932]

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Screening and Analysis of Multiclass Veterinary Drug Residues in Animal Source Foods using UPLC-Q-Exactive Orbitrap/MS.

Wentao Zhao, Rui Jiang, Wenping Guo, Chao Guo, Shilei Li, Juanqiang Wang, Shouwei Wang, Yingying Li,

A rapid, simple, and sensitive method of detecting veterinary drug residues in animal food sources, including poultry and pork, was developed and validated. The method was optimized for over 155 veterinary drugs of 21 different classes. Sample pretreatment included a simple solid-liquid extraction step with 0.2% formic acid-acetonitrile-water and a ... Read more >>

Bull Environ Contam Toxicol (Bulletin of environmental contamination and toxicology)
[2021, :]

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Advances in high resolution GC-MS technology: a focus on the application of GC-Orbitrap-MS in metabolomics and exposomics for FAIR practices.

Biswapriya B Misra,

Gas chromatography-mass spectrometry (GC-MS) provides a complementary analytical platform for capturing volatiles, non-polar and (derivatized) polar metabolites and exposures from a diverse array of matrixes. High resolution (HR) GC-MS as a data generation platform can capture data on analytes that are usually not detectable/quantifiable in liquid chromatography mass-spectrometry-based solutions. With ... Read more >>

Anal Methods (Analytical methods : advancing methods and applications)
[2021, 13(20):2265-2282]

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Systems pharmacological study based on UHPLC-Q-Orbitrap-HRMS, network pharmacology and experimental validation to explore the potential mechanisms of Danggui-Shaoyao-San against atherosclerosis.

Yiming Bi, Xin Han, Yigui Lai, Yingchang Fu, Kongzheng Li, Wei Zhang, Qiang Wang, Xuefeng Jiang, Yingchun Zhou, Hongfeng Liang, Huijie Fan,

<h4>Ethnopharmacological relevance</h4>Atherosclerosis (AS) plays an important role in the pathogenesis of cardiovascular and cerebrovascular diseases. Danggui-Shaoyao-San (DSS) is not only a representative Chinese formula to treat gynecological disorder, but also found its use in AS-related diseases. However, the active ingredients and the anti-AS effects are vague yet.<h4>Aim of the study</h4>An ... Read more >>

J Ethnopharmacol (Journal of ethnopharmacology)
[2021, 278:114278]

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UHPLC-Q-Orbitrap HRMS-based quantitative lipidomics reveals the chemical changes of phospholipids during thermal processing methods of Tan sheep meat.

Wei Jia, Ruiting Li, Xixuan Wu, Shuxing Liu, Lin Shi,

Thermal processing affects the lipid compositions of meat products. The study determined the effects of boiled, steamed and roasted processing methods on the lipidomics profiles of Tan sheep meat with a validated UPLC-Q-Orbitrap HRMS combined lipid screening strategy method. Combined with sphingolipid metabolism, the boiled approach was the suitable choice ... Read more >>

Food Chem (Food chemistry)
[2021, 360:130153]

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Metabolic study of ginsenoside Rg3 and glimepiride in type 2 diabetic rats by liquid chromatography coupled with quadrupole-Orbitrap mass spectrometry.

Di Yang, Xue Li, Yunhua Fu, Xingyu Tao, Fei Zheng, Jiangbo Yu, Hao Yue, Yulin Dai,

<h4>Rationale</h4>Ginsenoside Rg3 and glimepiride have been applied to treat type 2 diabetes (T2DM) because of their good hypoglycemic effects. In this study, the effects of ginsenoside Rg3 acting synergistically with glimepiride were investigated in liver microsomes from rats with type 2 diabetes.<h4>Methods</h4>An in vitro incubation system with normal rat liver ... Read more >>

Rapid Commun Mass Spectrom (Rapid communications in mass spectrometry : RCM)
[2021, 35(11):e9083]

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Simultaneous quantification of fat-soluble vitamins A, 25-hydroxylvitamin D and vitamin E in plasma from children using liquid chromatography coupled to Orbitrap mass spectrometry.

Hao Liu, Dong-Juan Wang, Ke-Xing Wan, Juan Zhang, Zhao-Jian Yuan, Chao-Wen Yu, Jing Yang, Lin Zou,

The fat-soluble vitamins A, D, E and K are micronutrients essential for physiological activity, metabolism and growth. Accurate and sensitive analytical methods are needed to support growing research into fat-soluble vitamins and their impact on children's growth and health. Here we report the first method for simultaneous quantification of fat-soluble ... Read more >>

J Chromatogr B Analyt Technol Biomed Life Sci (Journal of chromatography. B, Analytical technologies in the biomedical and life sciences)
[2021, 1177:122795]

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High-throughput quantification of eighteen heterocyclic aromatic amines in roasted and pan-fried meat on the basis of high performance liquid chromatography-quadrupole-orbitrap high resolution mass spectrometry.

Yan Xu, Haixia Li, Jian Liang, Jina Ma, Juan Yang, Xiaojuan Zhao, Wenhong Zhao, Weidong Bai, Xiaofang Zeng, Hao Dong,

Triple quadrupole mass spectrometry has been the main technique for HAAs analysis in recent decade, while it requires extensive optimization of compound-dependent parameters. A novel method based on HPLC-Q-Orbitrap-HRMS was developed firstly for simultaneous determination of eighteen HAAs. Extraction and purification conditions were optimized and the developed method was validated ... Read more >>

Food Chem (Food chemistry)
[2021, 361:130147]

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Configuration of the ion exchange chromatography, hydrophilic interaction chromatography, and reversed-phase chromatography as off-line three-dimensional chromatography coupled with high-resolution quadrupole-Orbitrap mass spectrometry for the multicomponent characterization of Uncaria sessilifructus.

Keyu Feng, Simiao Wang, Lifeng Han, Yuexin Qian, Huifang Li, Xue Li, Li Jia, Ying Hu, Huimin Wang, Meiyu Liu, Wandi Hu, Dean Guo, Wenzhi Yang,

Herbs represent complex chemical systems involving various primary and secondary metabolites that are featured by large spans of acid-base property, polarity, molecular mass, and content, etc., which thus poses great challenges to characterize the metabolites contained. Here, the combination of multiple-mechanism chromatography coupled with improved data-dependent-MS<sup>2</sup> acquisition (DDA-MS<sup>2</sup>) is presented ... Read more >>

J Chromatogr A (Journal of chromatography. A)
[2021, 1649:462237]

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Trace analysis of progesterone and 21 progestins in milk by ultra-performance liquid chromatography coupled with high-field quadrupole-orbitrap high-resolution mass spectrometry.

Suo Decheng, Fan Xia, Xiao Zhiming, Wei Shulin, Wang Shi, Wang Peilong,

A method for rapid screening and quantification of progesterone and progestins in milks by ultrahigh-performance liquid chromatography coupled with quadrupole-high field Orbitrap high-resolution mass spectrometry (UHPLC QE HF HRMS) was established. Milks samples were extracted by acetonitrile + hexane (80 + 20), purified by prime HLB SPE and analyzed by UHPLC QE HF HRMS. ... Read more >>

Food Chem (Food chemistry)
[2021, 361:130115]

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Rapid screening of neuroprotective components from Huang-Lian-Jie-Du Decoction by living cell biospecific extraction coupled with HPLC-Q-Orbitrap-HRMS/MS analysis.

Zhi-Tong Zhang, Guang-Xiao Huang, Wen-Jiao He, Wen-Ting Gu, Xue Wang, Zhi-Quan Chen, Fu-Jun Bi, Lu-Yong Zhang, Shu-Mei Wang, Dan Tang,

Huang-Lian-Jie-Du Decoction (HLJDD), a well-known traditional Chinese formulation, has been proved to exert neuroprotective effects, however, the bioactive components in HLJDD still remain to be elucidated. In the present study, a rapid and effective method involving live cell biospecific extraction and HPLC-Q-Orbitrap HRMS/MS was utilized to rapidly screen and identify ... Read more >>

J Chromatogr B Analyt Technol Biomed Life Sci (Journal of chromatography. B, Analytical technologies in the biomedical and life sciences)
[2021, 1176:122764]

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LC-Orbitrap Tribrid high-resolution MS using data dependent-tandem mass spectrometry with triple stage fragmentation as a screening tool to perform identification and risk assessment of unknown substances in food contact epoxy resin.

Pablo Miralles, Antonio López, Pablo Dualde, Clara Coscollà, Vicent Yusà,

A new, fast, and automatic approach has been applied for the tentative identification of unknown substances released by food contact epoxy resin after performing a migration test with food simulant. This approach combines intelligent data acquisition with AcquireX linked to LC-Orbitrap Tribrid high-resolution MS using data dependent-tandem mass spectrometry with ... Read more >>

J Sep Sci (Journal of separation science)
[2021, :]

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[Analysis and comparison of metabolic processes of salvianolic acid A and salvianolic acid B in rats based on UHPLC-LTQ-Orbitrap MS technology].

Bei-Bei Ma, Tian-Yu Lou, Yao-Yue Liang, Ting-Ting Wang, Rui-Ji Li, Jin-Hui Liu, Chen-Xiao Wang, Shang-Yue Yu, Yu-Dong Guo, Jing Wang, Zhi-Bin Wang,

The metabolites of salvianolic acid A and salvianolic acid B in rats were analyzed and compared by ultra-high-perfor-mance liquid chromatography with linear ion trap-orbitrap mass spectrometry(UHPLC-LTQ-Orbitrap MS). After the rats were administrated by gavage, plasma at different time points and urine within 24 hours were collected to be treated by ... Read more >>

Zhongguo Zhong Yao Za Zhi (Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica)
[2021, 46(9):2276-2286]

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Qualitative screening and quantitative determination of multiclass water-soluble synthetic dyes in foodstuffs by liquid chromatography coupled to quadrupole Orbitrap mass spectrometry.

Ping Qi, Qiong-Qing Zhou, Zi-Hao Lin, Jia Liu, Wei-Yi Cai, Xin-Wu Mao, Ji-Jun Jiang,

A LC-Q-Orbitrap HRMS analytical method for both qualitative screening and quantitative determination of 90 synthetic dyes including ten groups of isomers in foods has been established. An in-house synthetic dyes database and characteristic ions were also developed. Based on Q-Orbitrap HRMS, mass spectrum and fragmentation patterns of synthetic dyes were ... Read more >>

Food Chem (Food chemistry)
[2021, 360:129948]

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Accurate mass screening of pesticide residues in wine by modified QuEChERS and LC-hybrid LTQ/Orbitrap-MS.

Christina I Kosma, Ourania L Koloka, Triantafyllos A Albanis, Ioannis K Konstantinou,

In this research, a quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction procedure and Ultra-High Performance Liquid Chromatography-Orbitrap-Mass Spectrometry (UHPLC-Orbitrap-MS), were combined to obtain a sensitive and rapid method for the determination of multiclass pesticides in white and red wines. The optimization strategy involved the selection of buffering conditions, ... Read more >>

Food Chem (Food chemistry)
[2021, 360:130008]

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Accurate Quantification of Sulfonamide Metabolites in Goat Meat: A New Strategy for Minimizing Interaction between Sheep Serum Albumin and Sulfonamide Metabolites.

Wei Jia, Min Zhang, An Du, Rong Zhang, Mudan Xu, Lin Shi,

To date, the determination of sulfonamide metabolites in animal-derived food has universal disadvantages of low throughput and no integrated metabolites involved. In this study, a powerful and reliable strategy for high-throughput screening of sulfonamide metabolites in goat meat was proposed based on an aqueous two-phase separation procedure (ATPS) combined with ... Read more >>

J Agric Food Chem (Journal of agricultural and food chemistry)
[2021, :]

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Editorial: Current Analytical Trends in Drug Testing in Clinical and Forensic Toxicology.

Eugenia Gallardo, Mário Barroso, Marta Concheiro-Guisan, Ana de-Castro-Ríos,

Front Chem (Frontiers in chemistry)
[2021, 9:673397]

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Analysis of Differentiated Chemical Components between Zijuan Purple Tea and Yunkang Green Tea by UHPLC-Orbitrap-MS/MS Combined with Chemometrics.

Mengwan Li, Ying Shen, Tiejun Ling, Chi-Tang Ho, Daxiang Li, Huimin Guo, Zhongwen Xie,

Zijuan tea (<i>Camellia sinensis var. assamica</i> cv. Zijuan) is a unique purple tea. Recently, purple tea has drawn much attention for its special flavor and health benefits. However, the characteristic compounds of purple tea compared with green tea have not been reported yet. The present study employed a non-targeted metabolomics ... Read more >>

Foods (Foods (Basel, Switzerland))
[2021, 10(5):]

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Feasibility of Applying Untargeted Metabolomics with GC-Orbitrap-HRMS and Chemometrics for Authentication of Black Pepper (Piper nigrum L.) and Identification of Geographical and Processing Markers.

Araceli Rivera-Pérez, Roberto Romero-González, Antonia Garrido Frenich,

Black pepper is one of the most consumed spices all over the world. Due to its high demand and nutritional value, a metabolomics approach based on GC-Orbitrap-HRMS fingerprinting and chemometrics was applied to assess its geographical traceability and processing authenticity. GC-HRMS-based fingerprints were obtained using a simple ultrasound-assisted extraction method, ... Read more >>

J Agric Food Chem (Journal of agricultural and food chemistry)
[2021, 69(19):5547-5558]

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Improved Uranium Isotope Ratio Analysis in Liquid Sampling-Atmospheric Pressure Glow Discharge/Orbitrap FTMS Coupling through the Use of an External Data Acquisition System.

Jacob R Bills, Konstantin O Nagornov, Anton N Kozhinov, Tyler J Williams, Yury O Tsybin, R Kenneth Marcus,

Isotope ratio (IR) analysis of natural abundance uranium presents a formidable challenge for mass spectrometry (MS): the required spectral dynamic range needs to enable the quantitatively accurate measurement of the <sup>234</sup>UO<sub>2</sub> species present at ∼0.0053% isotopic abundance. We address this by empowering a benchtop Orbitrap Fourier transform mass spectrometer (FTMS) ... Read more >>

J Am Soc Mass Spectrom (Journal of the American Society for Mass Spectrometry)
[2021, 32(5):1224-1236]

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Lipidomic analysis of non-esterified furan fatty acids and fatty acid compositions in dietary shellfish and salmon by UHPLC/LTQ-Orbitrap-MS

Siddabasave Gowda B. Gowda, Yusuke Minami, Divyavani Gowda, Daisuke Furuko, Hitoshi Chiba, Shu-Ping Hui,

Lipids such as furan fatty acids (F-acids) are the valuable minor bioactive components of food such as fatty fish and plants. They are reported to have positive health benefits, including antioxidant and anti-inflammatory activities. Despite their importance, limited studies are focusing on F-acid determination in dietary seafood. This study aimed ... Read more >>

Food Res Int (Food research international (Ottawa, Ont.))
[2021, 144:Not Available]

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UHPLC-UV-Q-Orbitrap HRMS combined with machine learning algorithms reveals the chemical markers of Euodiae Fructus among closely related cultivars

Caihong Li, Yan Zhao, Wenjing Li, Rongrong Xing, Jing Lu, Rongxia Liu,

Euodiae Fructus (EF, the fruit of Tetradium ruticarpum) belongs to the family Rutaceae which has a complex genetic background, making classification a challenge. In order to classify the three closely related cultivars (small flower EF, medium flower EF, and big flower EF) and simplify the identification procedure in the future, ... Read more >>

(Industrial crops and products.)
[2021, 162:Not Available]

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Systematic characterization of chemical constituents in Mahuang decoction by UHPLC tandem linear ion trap-Orbitrap mass spectrometry coupled with feature-based molecular networking.

Ling Chen, Changliang Yao, Jiayuan Li, Jing Wang, Shuai Yao, Shijie Shen, Lin Yang, Jianqing Zhang, Wenlong Wei, Qirui Bi, De-An Guo,

Comprehensive characterization of traditional Chinese medicine prescriptions has long been a hurdle due to the chemical complexity and the lack of analytical tools. Mahuang decoction is a well-known traditional Chinese medicine prescription widely used for sweating and relieving the exterior, relieving cough and asthma, but it was insufficiently chemically scrutinized. ... Read more >>

J Sep Sci (Journal of separation science)
[2021, :]

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Comparison of unit resolution versus high-resolution accurate mass for parallel reaction monitoring

Lilian Heil, Philip Remes, Michael MacCoss,

Parallel reaction monitoring (PRM) is an increasingly popular alternative to selected reaction monitoring (SRM) for targeted proteomics. PRM’s strengths over SRM are that it monitors all product ions in a single spectrum, thus eliminating the need to select interference-free product ions prior to data acquisition, and that it is most ... Read more >>

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Comparison of Chemical Constituents in Pseudostellariae Radix with Different Dosage Forms Based on HPLC-Q-Exactive Orbitrap/MS Combined with Multivariate Statistical Analysis.

Yujiao Hua, Xiaoyuan Liu, Fen Xie,

<h4>Background</h4>Pseudostellariae Radix (PR) is an important traditional Chinese herbal medicine with vast clinical consumptions, which has two different dosage forms, PR decoction pieces and PR formula granules. However, these two forms are bound to have an impact on the accumulation of the effective components in PR, so the effectiveness of ... Read more >>

Evid Based Complement Alternat Med (Evidence-based complementary and alternative medicine : eCAM)
[2021, 2021:6644127]

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