RAPID COMMUNICATIONS IN MASS SPECTROMETRY
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2022
·Vol. 36
·期 11
·e9293
·
IF 2.586
Tianze Wang,Yanhong Hao,Suming Chen
Rationale Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has exhibited great advantages in rapid analysis of metabolites. However, the influence of lipid fragments generated by in-source fragmentation (ISD) and/or post-source fragmentation (PSD) on the accurate qualification and quantification of metabolites has not been fully demonstrated. Methods Phospholipid standards and serum extract were analyzed by MALDI MS with both TiO 2 nanoparticle (TiO 2 NP) and 2,5-DHB matrices to illustrate the structures of lipid fragments and their influence on the qualitative and quantitative analysis of metabolites in biological samples. Monophasic and biphasic extraction methods were also compared for their efficiency in removing potential interferents. Results The fragment ions derived from the phosphocholine head group of phosphatidylcholines (PC) interfere with peaks of low molecular weight (LMW) metabolites at both the MS and MS 2 levels. The biphasic extraction system with methanol/chloroform very efficiently removed the interference from PC fragments, and the metabolites choline and carnitine in serum were directly and accurately quantified by MALDI MS by using this biphasic extraction. Conclusions The phospholipids could produce fragment ions through ISD and PSD in MALDI MS with both nanoparticle and organic matrices. The fragments exerted influence on the qualification and qualification of metabolites in serum. By choosing the proper extraction method, the interference from lipid fragments could be efficiently alleviated.
研究领域:
分析化学
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生物化学
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医学诊断
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产品关联
DOI
PubMed
高影响因子
ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2025
·
IF 11.3
Hailan Wang,Ruobin Dai,Zhiwei Wang
Deciphering the structure and composition of the scaling layer is crucial for understanding its formation mechanisms in the reverse osmosis (RO) process. However, conventional characterization techniques face challenges in providing high three-dimensional resolution and precise compositional analysis of mixed scales, which hinders in-depth elucidation of the underlying mechanisms. In this study, we combined the exceptional depth resolution of time-of-flight secondary ion mass spectrometry (ToF-SIMS) and the superior mixed-scale discrimination capability of thermogravimetry-infrared spectroscopy (TG-IR) to analyze Si/Al scaling, a common issue in industrial RO systems. Under acid conditions, ToF-SIMS measurements revealed Al species enrichment on the membrane surface, attributed to the strong affinity between Al3+ and the membrane. The preferential deposition of Al3+ further facilitated the heterogeneous nucleation of polymerized silica through the electrostatic shielding effect, leading to the rapid formation of a thin and dense scaling layer. In contrast, neutral and alkaline conditions produced a slower-developing, uniform, thicker, and loosely structured scaling layer through physical deposition of supersaturated Si/Al complex scales. TG-IR analysis revealed that neutral conditions favored coprecipitated adsorption-bound Si/Al species (6-coordinate Al) and Si/Al polymers (4-coordinate Al), whereas alkaline conditions primarily produced coprecipitated silica and Al(OH)4−. These findings advance the mechanistic understanding of Si/Al scaling and provide a foundation for targeted control strategies in silica-metal combined scaling in RO systems.
研究领域:
环境科学
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材料科学
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产品关联
DOI
PubMed
高影响因子
Materials Express
·
2023
·Vol. 13
·期 11
·1922-1928
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IF 0.7
Yang Jing,Deng Qiuhui,Luo Chunhua,Yang Aofeng,Luo Xiaohu,Guo Meng,Fu Lichun,Zhen Deshuai,Zhou Huang
Holmium (Ho) modified TiO2 (Ho–TiO2) nanocomposites have been prepared by a sol–gel process, and were used as an effective adsorbent and matrix for the enrichment and analysis of bisphenol S and Indigo by matrix-assisted laser desorption/ionization
time-of-flight mass spectrometry (MALDI-TOF MS). The low detection limits of bisphenol S (BPS) and Indigo (ID) are 0.1 pg·mL−1 and 5 pg·mL−1, respectively. Extremely BPS detection could be achieved in tea samples with good recovery (81.5–93.0%).
研究领域:
分析化学
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环境科学
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产品关联
DOI
高影响因子
JOURNAL OF MASS SPECTROMETRY
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2021
·Vol. 57
·期 1
·e4795
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IF 1.982
Lili Song,Hongqing Yin,Rui Han,Jingfang Li,Ningning Ma,Yan Wang,Hong Guo
Du Zhong Formula (DZF), a traditional Chinese medicine formula derived from BeiJiQianJinYaoFang, is used to treat kidney deficiency and lumbago. In this study, ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometer (UPLC-Q-TOF/MS) technique combined with pattern recognition analysis was applied for analysis of metabolic profiles of the bioactive components of the DZF in rat biological samples. In this experiment, a total of 73 compounds, including 53 prototype components and 20 metabolites, were identified tentatively in vivo compared with blank urine, plasma, feces, and cerebrospinal fluid (CSF). The prototype ingredients in DZF include terpenoids, gingerols, phenylpropanoids, alkaloids, phenanthrenes, bibenzyls, organic acids, and other ingredients. The metabolic pathways of DZF involved reduction, demethylation, hydroxylation, desugarization, deoxygenation, glucuronidation, sulfation, and methylation. The proposed method could develop an integrated template approach to analyze screening and identification of the bioactive components in plasma, urine, feces, and CSF after oral administration of herb medicines. Additionally, this investigation might provide helpful chemical information for further pharmacology and activity mechanism of DZF.
研究领域:
药理学
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中医药
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分析化学
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代谢组学
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DOI
PubMed
高影响因子
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
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2026
·Vol. 131
·期 17
·e2026JD047457
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IF 3.8
Qiaodi Lu,Lei Yao,Shuwen Yan,Chuang Li,Xun Rong,Yuruo Fu,Cong An,Kaiqi Lai,Jiayi Zhou,Ning Wang,Yueyang Li,Lin Wang
Volatile organic compounds (VOCs) are receiving more attention for their potential to form ozone and secondary organic aerosol (SOA). Considerable amounts of VOCs are released from freshwater algae, and their chemical compositions and release rates have not been well understood. In this work, chemical compositions and release rates of VOCs emitted from a dominant algae species ( Microcystis aeruginosa ) in freshwater phytoplankton community were investigated under various cultivation conditions (i.e., BG11 medium, BG11 + extra nitrogen nutrient, BG11 + extra phosphorus nutrient, and low pH). 238 VOC species were identified from the emission of M. aeruginosa , among which 40 were hydrocarbons (elemental composition: CH), 81 were oxygenated-VOCs (elemental composition: CHO), 61 were nitrogen-containing VOCs (elemental composition: CHN and CHNO), 56 were sulfur-containing VOCs (elemental composition: CHS, CHSO, CHNS, CHNSO). The average release rates of hydrocarbons, oxygenated-VOCs (CHO), sulfur-VOCs (CHS and CHSO), and nitrogen-VOCs (CHN and CHNO) across all cultivation conditions were 668.6 ± 431.6, 352.0 ± 244.7, 2562.5 ± 1347.3, and 12.3 ± 5.76 ng·m −2 ·h −1 , respectively, among which, sulfur-VOCs were the dominant species. Adding NH 4 Cl or CO(NH 2 ) 2 as extra nitrogen nutrient significantly reduced total VOCs release. Hydrocarbons and nitrogen-VOCs were mainly released during the growth stage of algae, while some oxygenated species and sulfur-containing species were released during the decline phase. This study offers enhanced insight into the diversity and emission levels of VOCs produced by freshwater algae and underlying SOA and ozone formation over and around inland eutrophic lakes.
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DOI
高影响因子
JOURNAL OF SEPARATION SCIENCE
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2018
·Vol. 42
·期 5
·1037-1044
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IF 2.415
Wenjuan Zhang,Liyan Jiang,Li Fu,Qiong Jia
Efficient separation and enrichment of low-abundance glycopeptides from complex biological samples is the key to the discovery of disease biomarkers. In this work, a new material was prepared by coating copper tetra(N-carbonylacrylic) aminephthalocyanine and iminodiacetic acid onto poly(glycidyl methacrylate-pentaerythritol triacrylate) monolith. The monolith was applied to polymer monolithic microextraction for specific capture of glycopeptides coupled with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The developed monolith exhibited satisfactory efficiency for glycopeptide enrichment with high selectivity and detection sensitivity. When the tryptic digest of immunoglobulin G was used as the sample, total 24 glycopeptides were identified and the detection limit was determined as 5 fmol. When the approach was applied to the analysis of glycopeptides in the mixture of bovine serum albumin and immunoglobulin G (100:1, m / m ) digests, 16 glycopeptides could still be observed. Moreover, the monolith was successfully applied to the selective enrichment of glycopeptides from human serum digests, exhibiting great practicability in identifying low-abundance glycopeptides in complex biological samples.
研究领域:
分析化学
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蛋白质组学
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生物医学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MOLECULES
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2018
·Vol. 23
·期 11
·2891
·
IF 3.098
Xiao Chen,Jia Xiong,Shenlin Huang,Xun Li,Yu Zhang,Liping Zhang,Fei Wang
The proanthocyanidins from ethanol extracts (80%,v/v) ofAcacia mearnsii(A. mearnsii) bark on chemical-based and cellular antioxidant activity assays as well as carbolytic enzyme inhibitory activities were studied. About 77% of oligomeric proanthocyanidins in ethanol extracts ofA. mearnsiibark were found by using normal-phase HPLC. In addition, HPLC-ESI-TOF/MS and MALDI-TOF/TOF MS analyses indicated that proanthocyanidins fromA. mearnsiibark exhibited with a degree of polymerization ranging from 1 to 11. These results of combined antioxidant activity assays, as well as carbolytic enzyme inhibitory activities of proanthocyanidins fromA. mearnsiibark, indicated an encouraging antioxidant capacity for the high polyphenol content and a potential for use as alternative drugs for lowering the glycemic response.Keywords:proanthocyanidins;HPLC/MS;MALDI-TOF/MS;antidiabetic;antioxidant;degree of polymerization
研究领域:
药理学
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生物化学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
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2022
·Vol. 36
·期 20
·e9358
·
IF 2.586
Donghai Xu,Fangfang Pan,Hao Ruan,Nan Sun
Rationale Hydroxychloroquine sulfate is effective in the treatment of malaria and autoimmune diseases and as an antiviral drug. However, unreported impurities are often detected in this drug, which pose a health risk. In this study, the structures of hydroxychloroquine and six unknown impurities were analyzed using ultra-high-performance liquid chromatography-quadrupole/time-of-flight-tandem mass spectrometry (UHPLCQ/TOF/MS/MS), and the structures were characterized using liquid chromatography-solid-phase extraction-nuclear magnetic resonance (LC-SPE-NMR) spectroscopy. Methods An Agilent InfinityLad Poroshell HPH-C18 column (100 × 4.6 mm, 2.7 μm) was used. For the analysis of hydroxychloroquine and six unknown impurities, the mobile phase was 20 mM ammonium formate aqueous solution and methanol/acetonitrile (80:20, v/v) using gradient elution. Full-scan MS and MS 2 were performed to obtain as much structural information as possible. In addition, six unknown impurities were separated by semipreparative liquid chromatography and characterized using LC-SPE-NMR. Results The MS 2 fragmentation patterns of the impurities were investigated, leading to more structural information and an understanding of the fragmentation pathways of the impurities. The structures of the unknown impurities were confirmed using NMR. In addition, some possible pathways of the formation of the impurities in the drugs were outlined, and these impurities were found to be process impurities. Conclusions Based on the identification and characterization of these impurities, this study also describes the cause of the production of the impurities and provides insights for companies to improve their production processes and a scientific basis for the improvement of the related pharmacopoeias.
研究领域:
药学
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分析化学
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医学
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产品关联
DOI
PubMed
高影响因子
Foods
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2020
·Vol. 9
·期 6
·770
·
IF 4.092
Xiaoqin Wang,Chunhuan Li,María del Mar Contreras,Vito Verardo,Ana María Gómez-Caravaca,Chen Xing
Tree peonies (Paeonia ostiiandPaeonia rockii) are popular ornamental plants. Moreover, these plants have become oil crops in recent years. However, there are limited compositional studies focused on fatty acids. Therefore, this work aims to reveal compositional characteristics, regarding fatty acids, sterols, γ-tocopherol and phenolic compounds, of tree peony seed oils from all major cultivation areas in China, and to compare with herbaceous peony seed oil. For that, an integrative analysis was performed by GC-FID, GC-MS and UHPLC-Q-TOF-MS technologies. The main fatty acid was α-linolenic acid (39.0–48.3%), while β-sitosterol (1802.5–2793.7 mg/kg) and fucosterol (682.2–1225.1 mg/kg) were the dominant phytosterols. Importantly, 34 phenolic compounds, including paeonol and “Paeoniaglycosides” (36.62–103.17 μg/g), were characterized in vegetable oils for the first time. Conclusively, this work gives new insights into the phytochemical composition of peony seed oil and reveals the presence of bioactive compounds, including “Paeoniaglycosides”.Keywords:tree peony seed oil;fatty acids;sterols;phenolic compounds;UHPLC-Q-TOF-MS/MS
研究领域:
植物化学
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食品科学
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分析化学
✓ 已验证
DOI
PubMed
高影响因子
FITOTERAPIA
·
2025
·
IF 2.6
Wenyuan Li,Lin Chen,Minpeng Li,Kaiye Peng,Xuemei Lin,Yifan Feng,Yun Zou,Xia Wu
In this study, the chemical constituents of branch bark and root bark of Morus alba L. were first qualitatively analyzed by UPLC-Q/TOF-MS. A total of 40 compounds were identified, including 20 flavonoids, 3 stilbenes, 1 phenolic acid, 1 alkaloid, 5 arylbenzofurans and 10 Diels-Alder adducts. Of these, 19 compounds were specific to the root bark, 10 to the branch bark, and 11 were common to both. Total phenolic and flavonoid contents were determined, and anti-inflammatory activities were evaluated. Ethyl acetate extracts of both significantly inhibited NO secretion, with the root bark showing a stronger effect than the branch bark. Chemical components of branch bark were further separated, and the anti-inflammatory activities of these isolated compounds were investigated. Eight compounds were isolated from the ethyl acetate extract of the branch bark of Morus alba L. . These compounds were able to inhibit the release of inflammatory factors, including NO, IL-6, and IL-1β, in a concentration-dependent manner. Among them, compounds SZP-1, SZP-6 and SZP-8 exhibited superior in vitro anti-inflammatory activity, comparable to the positive drug meloxicam at high concentrations. In addition, the quality standard of the branch bark of Morus alba L. was established for the first time according to the 2020 edition of the Chinese Pharmacopoeia. This study provides valuable insights into the medicinal value of the branch bark of Morus alba L. and promotes the comprehensive utilization of mulberry branch resources.
研究领域:
药理学
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植物化学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2017
·
IF 3.086
Xiaoqin Wang,Qiumei Zeng,María del Mar Contreras,Lijuan Wang
In Asia, tea seed oils (seed oils from Camellia oleifera , C. chekiangoleosa , and C. sinensis ) are used in edible, medicinal, and cosmetic applications. However, these oils differ in their fatty acid contents, and there is little known about their phenolic compounds . Here we analyzed the phenolic compounds of seed oils from three species gathered from 15 regions of China. Twenty-four phenolic compounds were characterized by HPLC-Q-TOF-MS, including benzoic acids (6), cinnamic acids (6), a hydroxyphenylacetic acid, flavanols (4), flavonols (3), flavones (2), and dihydroflavonoids (2). Some of these phenolic compounds had not previously been reported from C. sinensis (20), C. oleifera (15), and C. chekiangoleosa (24) seed oils. Quantification was done by HPLC-QqQ-MS using 24 chemical standards. The total concentrations in the studied samples ranged from 20.56 to 88.56 μg/g. Phenolic acids were the most abundant class, accounting for 76.2–90.4%, with benzoic acid, found at up to 18.87 μg/g. The concentration of catechins, typical of tea polyphenols, ranged between 2.1% and 9.7%, while the other flavonoids varied from 4.2% to 17.8%. Although the cultivation region affected the phenolic composition of the Camellia seed oils, in our hierarchical clustering analysis, the samples clustered according to species. The phenolic composition of the seed oils from C. oleifera and C. chekiangoelosa were similar. We found that the phenolic categories in Camellia seed oils were similar to tea polyphenols, thereby identifying a source of liposoluble tea polyphenols and potentially accounting for some of the reported activities of these oils. In addition, this work provides basic data that allows distinction of various Camellia seed oils, as well as improvements to be made in their quality standards.
研究领域:
植物化学
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食品科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 9
·2865
·
IF 4.927
Xiuqiong Huang,Wei Gao,Xuan Yun,Zhixing Qing,Jianguo Zeng
In recent years, synthetic antioxidants that are widely used in foods have been shown to cause detrimental health effects, and there has been growing interest in antioxidants realised from natural plant extracts. In this study, we investigate the potential effects of natural antioxidant components extracted from the forage plant marigold on the oxidative stability of soybean oil. First, HPLC-Q-TOF-MS/MS was used with 1,1-diphenyl-2-picrylhydrazyl (DPPH) to screen and identify potential antioxidant components in marigold. Four main antioxidant components were identified, including quercetagetin-7-O-glucoside (1), quercetagetin (2), quercetin (3) and patuletin (4). Among them, quercetagetin (QG) exhibited the highest content and the strongest DPPH radical scavenging activity and effectively inhibited the production of oxidation products in soybean oil during accelerated oxidation, as indicated by reductions in the peroxide value (PV) and acid value (AV). Then, the fatty acids and volatile compounds of soybean oil were determined with gas chromatography–mass spectrometry (GC-MS) and headspace solid-phase microextraction–gas chromatography–mass spectrometry (HS-SPME-GC-MS). A total of 108 volatile components, including 16 alcohols, 23 aldehydes, 25 ketones, 4 acids, 15 esters, 18 hydrocarbons, and 7 other compounds, were identified. QG significantly reduced the content and number of aldehydes and ketones, whereas the formation of acids and hydrocarbons was completely prevented. In addition, the fatty acid analysis demonstrated that QG significantly inhibited oxidation of unsaturated fatty acids. Consequently, QG was identified as a potential, new natural antioxidant that is believed to be safe, effective and economical, and it may have potential for use in plant extracts feed additives.Keywords:Tagetes erectaL.;quercetagetin;DPPH-HPLC-Q-TOF/MS;HS-SPME-GC-MS;oxidative stability
研究领域:
植物学
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食品科学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）