ANALYTICA CHIMICA ACTA
·
2017
·
IF 4.95
Li Wang,Li-Fang Liu,Jian-Ying Wang,Zi-Qi Shi,Wen-Qi Chang,Meng-Lu Chen,Ying-Hao Yin,Yan Jiang,Hui-Jun Li,Ping Li,Zhong-Ping Yao,Gui-Zhong Xin
In this study, a new strategy combining mass spectrometric (MS) techniques with partial least squares regression (PLSR) was proposed to identify and quantify closely related adulterant herbal materials . This strategy involved preparation of adulterated samples, data acquisition and establishment of PLSR model. The approach was accurate, sensitive, durable and universal, and validation of the model was done by detecting the presence of Fritillaria Ussuriensis Bulbus in the adulteration of the bulbs of Fritillaria unibracteata. Herein, three different MS techniques, namely wooden-tip electrospray ionization mass spectrometry (wooden-tip ESI/MS), ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS) and UPLC-triple quadrupole tandem mass spectrometry (UPLC-TQ/MS), were applied to obtain MS profiles for establishing PLSR models. All three models afforded good linearity and good accuracy of prediction, with correlation coefficient of prediction ( r p 2 ) of 0.9072, 0.9922 and 0.9904, respectively, and root mean square error of prediction (RMSEP) of 0.1004, 0.0290 and 0.0323, respectively. Thus, this strategy is very promising in tracking the supply chain of herb-based pharmaceutical industry , especially for identifying adulteration of medicinal materials from their closely related herbal species.
研究领域:
药物分析
·
中药质量控制
·
代谢组学
·
分析化学
·
天然药物化学
·
药物鉴定
·
食品与药品安全
✓ 已验证
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2014
·
IF 3.583
Shengling Sun,Jie Li
A method has been developed for the determination of zirconium (Zr), hafnium (Hf), niobium (Nb), tantalum (Ta), molybdenum (Mo), tungsten (W), and tin (Sn) in seawater by quadrupole inductively coupled plasma-mass spectrometry (Q-ICP-MS). The method is based on separation of the seven elements by extraction chromatography using N-benzoyl-N-phenylhydroxylamine (BPHA) supported on a microporous acrylic ester polymeric resin. The optimized procedure indicates that the BPHA resin has high selective adsorption for Zr, Nb, Mo, Sn, Hf, Ta, and W (known as fluoride soluble elements), whereas other interference and matrix elements are minimally adsorbed. The optimized eluent mixture with their molarity gives satisfactory recoveries for all analytes. The recovery can be achieved 99% for Zr, 97% for Nb, 97% for Mo, 99% for Sn, 99% for Hf, 95% for Ta, and 98% for W, respectively, by eluting with 6 mL of 6 mol L − 1 HF/1 mol L − 1 HCl. Furthermore, the technique for separation and enrichment of these elements provides a low total method blank. The detection limits for this method are 0.5 ppt for Zr, 0.2 ppt for Nb, 1.7 ppt for Mo, 1.0 ppt for Sn, 0.1 ppt for Hf, 0.1 ppt for Ta, and 0.3 ppt for W, respectively. The validity of the method is evaluated by replicate analyses of seawater reference materials; the precision of the results is better than 3% (RSD, n = 4), and the results are in good agreement with certified values. The established procedure has proved to be both practical and effective for seawater sample analyses.
研究领域:
分析化学
·
海洋化学
·
环境地球化学
·
痕量元素检测
·
质谱分析
✓ 已验证
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2022
·
IF 5.304
Xuan Zhang,Changling Fang,Xiaoyi Lou,Guangxin Yang,Cong Kong,Yongfu Shi,Dongmei Huang
17α-methyltestosterone (MT) is widely used in aquaculture in order to increase harvest yield. However, illegal addition of MT is potentially toxic to human. A simple and rapid method for the determination of MT in aquatic products was established on HPLC-MS/MS. Sample preparation was optimized using simple liquid–liquid extraction techniques with ethyl acetate and n -hexane. The analyte was separated on Capcell PAK C 18 MG II (100 mm × 2.0 mm, 5 µm), with a solution of 0.1 % formic acid in water and acetonitrile, and analyzed with multiple-reaction monitoring (MRM) mode on HPLC-MS/MS. Good linearity with high correlation coefficient (R 2 ≥ 0.9997) was obtained between 2 and 200 µg/L. The limits of detection (LODs) and quantitation (LOQs) were 0.4 and 1 µg/kg respectively. Good recoveries were demonstrated between 86.4 and 104.6 %. The precisions of inter-day and intra-day were validated and the results indicated acceptable stability and reproducibility. The analyte showed stable up to 30 days storage at −20 °C. Samples purchased from Shanghai market for each matrix (shrimp, Chinese mitten crab, tilapia, eel, bullfrog and mussel) were tested for method application. In summary, the proposed method was validated for MT determination in aquatic products.
研究领域:
分析化学
·
食品安全
·
水产养殖
·
质谱分析
✓ 已验证
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2019
·
IF 3.571
Zi-Yuan Zhao,Lei Qin,Meng Dong,Yu-Ying Zhang,Xu-Hui Huang,Ming Du,Da-Yong Zhou,Bei-Wei Zhu
Intake of endocrine-disrupting chemicals (EDCs) by humans could disturb the metabolism of hormones, induce cancer, and damage the liver and other organs. Phthalate acid esters (PAEs) and alkylphenols (APs) are important EDCs and environmental contaminants. With the increasing use of plastics and nonionic surfactants worldwide, PAEs and APs have entered environmental water and accumulated in edible fish, which are finally consumed by humans. In this study, a coated direct inlet probe (CDIP) based on an atmospheric solid analysis probe, which can rapidly and simultaneously extract both PAEs and APs in fish, was developed. Twelve PAEs and APs were quantified by using a stable-isotope-labeled internal standard. Standard curves of the PAEs and APs having correlation coefficients of R2 ≥ 0.9837 were obtained. The limit of detection of the PAEs and APs was distributed from 0.01 to 40 ng g–1. The relative recovery of the method was 78–120% between low, medium, and high spiked levels. Combined with principal component analysis, PAE- and AP-contaminated Carassius auratus from different habitats could be identified. Multiple sample analysis mode allowed the extraction of up to 12 samples at once, and the total analysis time (including sample pretreatment, extraction, and analysis time) was less than 10 min per sample, which indicates that CDIP is useful for rapid quantitative analysis.
研究领域:
环境科学
·
分析化学
·
食品安全
·
毒理学
·
质谱分析
✓ 已验证
DOI
高影响因子
COMBUSTION AND FLAME
·
2021
·
IF 4.185
Zhi-Hao Jin,Jin-Tao Chen,Wang Li,Shu-Bao Song,Jiu-Zhong Yang,Zhen-Yu Tian
Owing to significant advantages over traditional biofuels, 2-methylfuran (MF) has arisen extensive interest as next generation biofuels . Atmospheric pressure pyrolysis of a 1:1 blend of MF with a three-component (3C) surrogate jet fuel was conducted in a flow tube using synchrotronphotoionization and molecular beam mass spectrometry techniques within a temperature range of 898–1223 K. Therein, the 3C surrogate fuel consists of 66.2% n-dodecane (NC 12 H 26 ), 18.0% 1,3,5-trimethylcyclohexane (T135MCH) and 15.8% n-propylbenzene (NPB, A1C 3 H 7 ). The detailed kinetic model including 579 species and 3474 reactions was developed via validating against both measured and literature data with reasonable agreement. MF exhibits no obvious influence on the 3C components pyrolysis . However, 3C mixtures play an important roles in MF decomposition: lower initial temperature and different decomposition pathways. In the meantime, n-propylbenzene (NPB) pyrolysis curve in 3C and 3C+MF significantly transfers to low temperature zone after 1000 K in contrast to pure NPB, while smaller change was found in the decomposition curve of n-dodecane. Compared with 3C pyrolysis, 3C+MF blends have less formation of aromatic species and light hydrocarbons except for vinylacetylene (C 4 H 4 ) and acetylene (C 2 H 2 ). Allyl radical (C 3 H 3 ) has significant roles in benzene ring formation. The combination of allyl radical with propargyl radical producing benzene and H radical (aC 3 H 5 + C 3 H 3 = A1 + 2H) has the highest contribution to the benzene formation in both 3C and 3C+MF. Moreover, most of naphthalene (A2) formation is also related to C 3 H 3 radical via reaction: A1CH 2 + C 3 H 3 = A2 + H, rather than via HACA (hydrogen abstraction carbon addition) reaction. Interaction of fuel blends was mainly presented through the common and important sensitive reactions which are much to do with CH 3 and H radicals. The overview of product distribution was investigated by providing comparisons of carbon conversion rates during the pyrolysis of 3C and 3C+MF. These results will be helpful to better understand the pyrolysis properties of MF/jet fuel surrogate blends and could contribute to developing new generation biofuels for aviation.
研究领域:
燃料化学
·
燃烧动力学
·
生物燃料
·
能源化学
·
反应机理
·
质谱分析
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）