ANALYTICAL CHEMISTRY
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2023
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IF 7.4
Yue Liu,Dianlong Ge,Jijuan Zhou,Yajing Chu,Xiangxue Zheng,Li Ke,Pan Li,Yan Lu,Xue Zou,Lei Xia,Yawei Liu,Chaoqun Huang,Chengyin Shen,Yannan Chu
The investigation of volatile organic compounds (VOCs) in human metabolites has been a topic of interest as it holds the potential for the development of non-invasive technologies to screen for organ lesions in vivo. However, it remains unclear whether VOCs differ among healthy organs. Consequently, a study was conducted to analyze VOCs in ex vivo organ tissues obtained from 16 Wistar rats, comprising 12 different organs. The VOCs released from each organ tissue were detected by the headspace-solid phase microextraction-gas chromatography-mass spectrometry technique. In the untargeted analysis of 147 chromatographic peaks, the differential volatiles of rat organs were explored based on the Mann–Whitney U test and fold change (FC > 2.0) compared with other organs. It was found that there were differential VOCs in seven organs. A discussion on the possible metabolic pathways and related biomarkers of organ differential VOCs was conducted. Based on the orthogonal partial least squares discriminant analysis and receiver operating characteristic curve, we found that differential VOCs in the liver, cecum, spleen, and kidney can be used as the unique identification of the corresponding organ. In this study, differential VOCs of organs in rats were systematically reported for the first time. Profiles of VOCs produced by healthy organs can serve as a reference or baseline that may indicate the presence of disease or abnormalities in the organ’s function. Differential VOCs can be used as the fingerprint of organs, and future integration with metabolic research may contribute to the development of healthcare.
研究领域:
分析化学
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代谢组学
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医学诊断
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DOI
PubMed
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
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2023
·
IF 9.8
Yuemei Chen,Yang Yu,Shaohan Wang,Jiajia Han,Mengge Fan,Yanping Zhao,Junlang Qiu,Xin Yang,Fang Zhu,Gangfeng Ouyang
Tobacco-specific nitrosamines (TSNAs) are probably carcinogenic disinfection byproducts eliciting health risk concerns. The determination and surveillance of TSNAs in water is still cumbersome due to the lack of advanced sample preparation methods. Herein, we prepared a solid phase microextraction (SPME) fiber coated with the molecularly imprinted polymer (MIP) sheathed mesoporous silica tube (MST) composite material, and developed a highly efficient, selective, and sensitive method for the determination of five TSNAs in water. Benefiting from the TSNAs-specific recognition of MIP and the increased specific surface area derived from MST, the MIP@MST fiber exhibited excellent extraction performance for TSNAs, which was much superior to the commercially available SPME fibers. By coupling to high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS), the outstanding analytical merits such as low method detection limits (ranging 0.1–6.7 ng L −1 ) and good reproducibility (intra-fiber and inter-fiber relative standard deviations ranging 4.1 %–11.6 % and 3.5 %–12.2 %, respectively) were achieved with the consumption of 8 mL water sample and 100 μL methanol solvent in 50 min. The feasibility of the SPME-HPLC-MS/MS method was demonstrated in tap water and chloraminated source water, with relative recoveries for the five TSNAs ranging from 85.2 % to 108.5 %. In result, none of the TSNAs were found in the tap water samples, while 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) and 4-(methylnitrosamino)-1-(3-pyridyl)-1-Butanol (NNAL) were detected in the chloraminated source water samples. The rapid and convenient SPME-HPLC-MS/MS method developed in this study offers a powerful tool for monitoring TSNAs in water.
研究领域:
分析化学
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环境科学
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材料科学
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DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2023
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IF 6
Zhichao Xiong,Wanzhen Feng,Dongzhou Xia,Jixin Zhang,Yuming Wei,Tiehan Li,Junlan Huang,Yujie Wang,Jingming Ning
The authenticity of the geographical origin of agricultural products has received widespread attention. Tea tree varieties, processing processes and origins influence the quality and price of raw pu-erh tea (RPT). This study distinguished RPT from 10 different production areas through headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) combined with orthogonal partial least squares–discriminant analysis (OPLS-DA) model and machine learning algorithms. Among the thirty-five types of common volatiles identified, pentanal, heptanal, naphthalene, cedrol, and 2,6-di- tert -butylbenzoquinone were considered the key differential compounds distinguishing the 10 different production areas of the RPT samples through the screening of variable importance in projection values of the OPLS-DA and coefficient weights of the linear discriminant analysis function. Among them, heptanal and 2,6-di- tert -butylbenzoquinone had the highest content in West of Bingdao and the lowest content in Nannuoshan. The random forest algorithm achieved a discrimination accuracy of 98.4% based on the discrimination of five key compounds in 63 RPT samples. The random forest model was demonstrated to be reliable and valid by using receiver operating characteristic curves (area under the curve = 0.7603). The study results serve as a reference for the differentiation of 10 production areas of RPT.
研究领域:
食品科学
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分析化学
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机器学习
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DOI
高影响因子
ANALYTICA CHIMICA ACTA
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2014
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IF 4.517
Juan Zheng,Siyan Li,Ying Wang,Lei Li,Chengyong Su,Hong Liu,Fang Zhu,Ruifen Jiang,Gangfeng Ouyang
A superior solid-phase microextraction (SPME) fiber-coating material, IRMOF-3@ILs/PDMS, was prepared by the in situ growth of IRMOF-3 onto stainless-steel wires and protection with ionic liquids (ILs) and polydimethylsiloxane (PDMS). The ILs can efficiently prevent the substantial cracking of IRMOF-3 caused by moisture, and a thin PDMS film can protect the IRMOF-3@ILs material to achieve a much better extraction efficiency as well as excellent resistance to high temperature and high humidity. This IRMOF-3@ILs/PDMS coating possessed a porous structure, a rough surface and an increased lifespan (by at least 100 times) compared with that of IRMOF-3. The coating was evaluated by analyzing four polycyclic aromatic hydrocarbons (PAHs) in water, and good precision (<7.7%), low detection limits (12.0–15.4 ng L −1 ), and wide linearity (50–20,000 ng L −1 ) were achieved under the optimized conditions. The fiber was successfully applied to the sensitive analysis of PAHs in rainwater by coupling it with gas chromatography–mass spectrometry (GC–MS).
研究领域:
分析化学
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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
MICROCHEMICAL JOURNAL
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2026
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IF 5.2
Jia Gao,Yifeng Lin,Lan Zhang
Microwave-assisted in situ covalent bonding enables rapid ZIF-90 SPME coating. • Covalent bonding enhanced coating adhesion stability and thermal resistance. • ZIF-90 based SPME-GC–MS achieves rapid, sensitive multi-pesticide residue detection. In this study, a novel microwave-assisted in situ covalent bonding strategy was developed for the rapid fabrication of zeolitic imidazolate framework-90 (ZIF-90) coated solid-phase microextraction (SPME) fibers. Coupled with gas chromatography–mass spectrometry (GC–MS), the prepared fibers were applied for the determination of multi-pesticide residues in vegetables. Under optimized extraction and desorption conditions, the ZIF-90 coated fiber showed satisfactory linearity for 14 pesticide residues in the range of 0.01–10 μg/L, with correlation coefficients ( R 2 ) of 0.9925–0.9999 and limits of detection (LODs) of 0.0026–0.0779 μg/L. The intra-day and inter-day relative standard deviations (RSDs) for a single fiber were ≤ 7.8% and ≤ 8.9%, respectively, and fiber-to-fiber RSDs ranged from 1.5% to 9.4% ( n = 6). The method was successfully applied to cucumber and water spinach matrices, with recoveries of 81.1%–118.6%. These results demonstrate that the ZIF-90 composite exhibited outstanding adhesion stability, thermal tolerance (up to 500 °C), and excellent reusability (>70 cycles), which is a promising candidate for the trace analysis of multi-pesticide residues in complex food matrices. Download: Download high-res image (200KB) Download: Download full-size image
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DOI
高影响因子
Food Chemistry-X
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2025
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IF 8.2
Xiaoying Li,Gang Li,Haijing Wang,Chunsheng Liu,Chunrui Rong,Fuhang Song,Caixia Chen,Junkai Wu
The changes in volatiles during postharvest storage of three peach cultivars (JC, ZYP9 and ZY8) were tracked under two temperature conditions (25 °C and 4 °C). Overall volatile content significantly decreased during storage over time, specifically with a marked decrease in ester levels, while the relative proportions of alcohols, aldehydes, and ketones increased during cold storage. These changes in volatile composition revealed three distinct storage stages across the cultivars, with the middle stage marking a critical turning point in volatile flavor quality. Among the cultivars, ZYP9 and ZY8 exhibited better adaptability to cold storage than JC. The reduction in key esters, coupled with the increase in alcohols and aldehydes, led to altered aroma profiles and the development of off-flavors in cold-stored peaches. Overall, this study provides valuable insights into the dynamic changes in flavor volatiles during postharvest storage and contribute to a deeper understanding of aroma quality in stored peaches.
研究领域:
食品科学
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植物生理学
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DOI
PubMed
高影响因子
MICROCHIMICA ACTA
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2025
·Vol. 192
·期 8
·1-10
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IF 5.3
Liu Yadi,Li Shu,Guo Xinyuan,Wang Tong,Yang Dawei,Zhan Jinhua,Chen Jing
A solid-phase microextraction-SERS (SPME-SERS) analysis system was enhanced by the synergistic integration of azo reaction and electroextraction (Azo/EEx/SPME-SERS) to directly determine aromatic amines in serum and urine. Azo reactions selectively converted aromatic amines (e.g., aniline) into positively charged derivatives, which were selectively absorbed onto a rough silver SERS substrate via charge-selective electroextraction (- 0.2 V), excluding anionic interferents. Electroextraction-accelerated mass transfer and real-time SERS detection enabled rapid preconcentration and spectral acquisition under 3 min. The azo reaction increased the Raman scattering cross-section of aniline, and electroextraction reduced the distance of azo aniline to the SERS hot spots. This enabled low detection limits (aniline, 0.005 µg·mL −1 ). The Azo/EEx/SPME-SERS method achieved dual-dimensional interference exclusion through chemical derivatization (azo reaction) and physical charge-selective electroextraction, granting aromatic amines competitive adsorption advantage over serum metabolites at SERS hotspots. This synergy allows for the direct detemination of aniline in urine/serum with only 5–10 fold dilutions. It avoids the need for tedious pretreatments, while maintaining recoveries of 92–107%, accuracy of 97.33% (urine) and 94.89% (serum), and method detection limits of 0.05 µg·mL −1 (urine) and 0.5 µg·mL −1 (serum). Graphical
研究领域:
分析化学
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生物医学工程
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环境科学
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2024
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IF 8.5
Yueping Wang,Yequn Huang,Lianping Song,Hong Wang,Li Wan,Jinqian Pang,Wenjuan Liang
Insight investigation on both edible pulps and inedible parts involving inflorescence axis and shreds of Artocarpus heterophyllus Lam were carried out, a total of 98 VOCs and 201 masses were identified by the combination of HS-SPME-GC–MS and PTR-TOF-MS. Among them, according to the consistency of OAV and results of VIP > 1, p < 0.05, compounds methyl isovalerate ( A2 ), 3-methylbutyl acetate ( A5 ) and octanoic acid, ethyl ester ( A21 ) were recognized as aroma markers to distinguish the pulps, shreds and inflorescence axis. Meanwhile, the inflorescence axis (IC 50 : 1.82 mg/mL) and shreds (IC 50 : 16.74 mg/mL) exhibited more excellent antioxidant potency than pulps (IC 50 : 17.43 mg/mL) in vitro . These findings validated the feasibility of coupling HS-SPME-GC–MS and PTR-TOF-MS for rapid detection of characteristic VOCs of this plant, and offered new prospect of fragrance utilization and waste management of the edible and inedible parts of A. heterophyllus fruit.
研究领域:
植物科学
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分析化学
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食品科学
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产品关联
DOI
PubMed
高影响因子
MICROCHIMICA ACTA
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2018
·Vol. 186
·期 1
·1-8
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IF 5.705
Cui Jingcheng,Chen Shichao,Ma Xicheng,Shao Hua,Zhan Jinhua
This work describes the integration of solid-phase microextraction (SPME) and surface-enhanced Raman spectroscopy (SERS) by codeposition of a hybrid consisting of reduced graphene oxide and silver on silver-copper alloy fibers. The morphology and structure of the coating were characterized by a variety of microscopic and spectroscopic techniques that confirmed the hybrid structure of the material. A galvanic-displacement-induced process is assumed to be involved during the codeposition of the hybrid coating on the alloy. In this process, Ag(I) is reduced to Ag(0) by Cu(0), and the presence of conjugated domains in GO facilitates the long-range transfer of electrons from Cu to Ag+. Simultaneously, GO accepts electrons and is converted into RGO. The hybrid coating exhibits a high SERS enhancement factor and good spatial uniformity. The needle-like coated alloy fibers are shown to be a viable tool for non-destructive sampling and SERS-based determination of trace levels of the antibiotics sulfadiazine and sulfamethoxazole in a spiked tissue mimic. The SERS peaks at 1149 cm −1 for sulfadiazine and 1144 cm −1 for sulfamethoxazole are selected as the reference peaks in the quantitative analysis. The linear range is from 0.01 to 100 μg·cm −3 . The detection limits are 1.9 ng·cm −3 for sulfadiazine and 4.4 ng·cm −3 for sulfamethoxazole.
Schematic presentation of I: Galvanic-displacement-induced reduction of graphene oxide (brown films) and Ag + (purple dots) on silver-copper alloy; II: Codeposition of reduced-graphene-oxide (grey films)/Ag (blue stars) on alloy fiber; III: Non-destructive SPME of antibiotics from spiked tissue mimic; IV: SERS detection using Raman spectroscope.
研究领域:
分析化学
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材料科学
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环境科学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
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2021
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IF 4.556
Sam Al-Dalali,Fuping Zheng,Baoguo Sun,Talmizur Rahman,Feng Chen
Aging is an essential step for enriching the aroma profiles of Chinese vinegar. This study aimed to track the volatile flavor changes in the same batch of Chinese vinegar for the first time during two years of aging with the aid of HS-SPME-GC–MS. The aroma-active compounds were characterized at 0, 6, and 12 months of aging using GC-O coupled with a modified frequency method. A total of 67 volatile compounds and 30 aroma-active compounds were identified during the different stages of aging. Most alcohols, esters, ketones, acids, and phenols decreased during the aging from 628.4, 105.4, 132.1, 22.1, and 21.4 μg/L at 0 month to 228.7, 7.2, 9.69, 17.24, and 11.6 μg/L at 24 months separately, except aldehydes and pyrazines, which showed slight increases. Many aroma-active compounds were generated during the aging, such as methional, trimethylpyrazine, acetophenone, and 2-acetyl-3-ethylpyrazine, while pyrazines were formed during 24 months of aging. Three aroma-active compounds with high odor activity values (OAVs) showed significant contributions to the aroma profile of vinegar, which included isovaleric acid (2743, 340, and 3139), 4-ethylguaiacol (580, 429, and 516), and γ -nonalactone (324, 640, and 442) at 0, 6, and 12 months of aging, respectively.
研究领域:
食品科学
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分析化学
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产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
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2023
·Vol. 24
·期 19
·14988
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IF 5.6
Yuan Zhong,Zhilong Jia,Hailong Zhou,Dan Zhang,Guichen Li,Jihua Yu
The ultrasonic cell disruption method was used to efficiently extract isothiocyanates and other volatile compounds from radish microgreens. A total of 51 volatiles were identified and quantified by headspace solid-phase micro-extraction and gas chromatography–mass spectrometry (HS-SPME/GC–MS) in four radish microgreen cultivars, mainly including alcohols, aldehydes, isothiocyanates, sulfides, ketones, esters, terpenes, and hydrocarbons. The correlation between cultivars and volatile compounds was determined by chemometrics analysis, including principal component analysis (PCA) and hierarchical clustering heat maps. The aroma profiles were distinguished based on the odor activity value (OAV), odor contribution rate (OCR), and radar fingerprint chart (RFC) of volatile compounds. This study not only revealed the different flavor characteristics in four cultivars but also established a theoretical basis for the genetic improvement of radish microgreen flavors.Keywords:flavor;volatile compounds;radish microgreens;ultrasonic cell disruption;GC–MS
研究领域:
食品科学
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农学
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分析化学
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2026
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IF 9.8
Feifei Wang,LiFeng Liang,Haiqi Chen,Hao Yang,Shutong Liu,Zongcai Tu,Hui Wang
Durian is highly prized for its distinctive flavor, but cultivar-dependent price variations have driven economic adulteration. In this study, an integrated analytical platform combining GC–MS, GC-IMS, and chemometric modeling was employed to characterize volatile profiles across four durian cultivars (Monthong, Musang King, Sultan, and Medan). A total of 209 volatiles were detected, and cultivar-related flavor markers were identified: 11 for Monthong, 15 for Musang King, 9 for Sultan, and 5 for Medan. Key markers included 1-Octen-3-ol and alpha-lonone (Musang King), 3-Hydroxy-2-butanone (Monthong), 5-methyl-2-thiophenecarboxaldehyde (Sultan), and 2-decanone (Medan). Furthermore, the correlation between flavor compounds and potential biosynthetic precursors was analyzed. Ethyl 2-methylbutyrate exhibited strong associations with isoleucine (r 2 = 0.8) and (E, E)-2,4-heptadienal with linoleic acid (r 2 = 0.92), suggesting varietal aroma differences arise from distinct amino acid and fatty acid metabolism. Collectively, this study established an analytical framework for durian cultivar identification while providing preliminary mechanistic insights into flavor markers.
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PubMed
高影响因子
危险品化学品经营许可证（带存储）