TALANTA
·
2025
·
IF 6.1
Xian Li,Xinxin Wen,Zewei Luo,Xuejun Wang,Yilin Zhang,Jing Wei,Yonghui Tian,Rui Ling,Yixiang Duan
Breast cancer (BC) is the primary cause of cancer-related deaths in women. Currently, the discovery of biomarkers primarily relies on single platform, which might overlook other potential biomarkers and lead to inaccurate diagnoses. This study aims to: (1) expand the detection range of biomarkers through multiple analytical techniques, thereby improving the accuracy of BC diagnosis, and (2) analyze the metabolic pathways of the biomarkers to explore the metabolic mechanisms underlying BC. Urine samples from BC patients and healthy controls were analyzed using two techniques: Ultra-high performance liquid chromatography combined with Quadrupole-Exactive-Orbitrap mass spectrometry (UPLC-Q-Exactive Orbitrap-MS), and headspace solid-phase microextraction combined with gas chromatography-high resolution mass spectrometry (HS-SPME/GC-HRMS). Data from each platform was analyzed independently using both univariate and multivariate statistical approaches to identify candidate biomarkers. Subsequently, a mid-level data fusion approach was applied to integrate the candidate biomarkers identified by each platform. The fused data were used to construct orthogonal partial least squares discriminant analysis (OPLS-DA) models and random forest (RF) models, which were then compared against models based on individual platform. The fused RF and OPLS-DA models demonstrated enhanced diagnostic accuracy compared to the individual model. Integrating GC-HRMS and UPLC-Q-Exactive Orbitrap-MS achieved the best performance, with an AUC value of 0.967, sensitivity of 86.37 %, and specificity of 89.19 %. Metabolic pathway analysis revealed that 10 metabolic pathways exert an impact on BC. Four pathways—pyruvate metabolism, sulfur metabolism, taurine and hypotaurine metabolism, and tyrosine metabolism—were found to be associated with BC in both metabolomics and volatolomics studies, indicating that these pathways play pivotal roles in BC. This study confirmed the potential of merging multi-platforms to enhance the accuracy of BC diagnosis, offering new avenues for understanding the metabolic mechanisms of BC.
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PubMed
高影响因子
CHROMATOGRAPHIA
·
2022
·Vol. 85
·期 9
·809-816
·
IF 2.213
Liu Yue,Lin Yuzi,Li Ping,Yang Huiwen,Huang Qingsong,Pan Yufang
Increasing numbers of studies suggest that short-chain fatty acids (SCFAs) are closely related to diabetes. However, the complexity of fecal pretreatment makes the detection of SCFAs in feces relatively difficult. In this study, we established a sample pretreatment protocol that involved no tedious steps, requiring only the grinding of appropriate amounts of feces into powder in liquid nitrogen. The SCFA content in feces was then detected using the headspace-gas chromatography (HS-GC) method. The method achieved good linearity ( R 2 ≥ 0.9940), and the limits of quantification (LOQs) and detection (LODs) of all investigated SCFAs ranged from 0.15 to 0.45 mM and 0.05 to 0.15 mM, respectively. The recoveries of the SCFAs ranged from 91.55 to 103.96% in mouse fecal samples. The HS-GC method was then applied to evaluate the effects of a neutral polysaccharide from Acanthopanax trifoliatus (ATP1-1) on the fecal SCFA content in streptozotocin (STZ)-induced diabetic mice. After 6 weeks of treatment with 140 mg/kg/d ATP1-1, the expression levels of acetic acid, propionic acid, butyric acid, isobutyric acid, isovaleric acid and valeric acid were increased by 215.4, 88.8, 95.3, 300.8, 260.7 and 158.0%, respectively, which indicated that the hypoglycemic effect of ATP1-1 may be related to its impact on SCFAs. Our simplified pretreatment of fecal samples is suitable for the analysis and detection of SCFAs in mouse feces by HS-GC.
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高影响因子
ANALYTICAL LETTERS
·
2020
·
IF 1.467
Rongcan Guo,Futian Yu,Chenghua Wang,Hongrui Jiang,Lian Yu,Mouming Zhao,Xiaoling Liu
Suansun is a sour Chinese traditional fermented bamboo shoot product popular in Central and South Asia due to its unique flavor. The volatile compounds and their odor-activities in suansun are unknowns, which hinders the control of the fermentation and causes variations in the flavor and other properties. In order to assess the odor characteristics of suansun and its unique volatile components, headspace solid phase microextraction gas chromatography mass spectrometry (HS-SPME-GC-MS) and aroma extract dilution analysis (AEDA) coupled with gas chromatography-olfactometry (GC-O) were used in this study to analyze three types of suansun samples. The results showed that a total of 43 volatiles were identified and quantified. Sixteen compounds, including five alcohols, four aromatics, four aldehydes, two carboxylic acids, and one ester, had high odor activity values exceeding 1. Fifteen odorants, including four unknowns, were detected by AEDA; eight of these compounds, 1-octen-3-ol, geraniol, p-cresol, nonanal, decanal, (E)-2-nonenal, phenylethyl alcohol, and octanoic acid, had high flavor dilution factors exceeding 243. Triangle difference tests showed that a mixture of p-cresol and octanoic acid revealed a high similarity to one of the symbolic “fermentation” odors in commercial suansun. The composition of the unique odor of suansun is better understood, which provides a theoretical basis for solving the quality control problems existing in the production process and lays a foundation for the modern production of this important product.
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高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Xinming Chen,Dandan Yang,Lin Huang,Mengqi Li,Jihai Gao,Can Liu,Xiaoming Bao,Zhizhi Huang,Jinhui Yang,Haozhou Huang,Dingkun Zhang,Runchun Xu
Frankincense is an important seasoning and spice known for its distinctive and intricate flavor profile. Considering the considerable variation in the aromatic quality of frankincense due to geographical origin, species diversity and cultivation conditions, frankincense from major global origins was characterized holistically for the first time. The electronic nose (E-nose) with headspace solid-phase microextraction gas chromatography–mass spectrometry (HS–SPME–GC–MS) and sensory evaluation were implemented to characterize the aroma components of 21 commercial varieties of frankincense from around the world. The results showed that a total of 149 volatile organic compounds (VOCs) of 10 categories were identified in frankincense, among which the numbers of alcohols, terpenes and esters compounds accounted for 22.15 %, 18.79 % and 15.44 % of the total VOCs of frankincense, respectively. The PLS-DA model effectively distinguished frankincense from Oman/Somalia and other origins. Furthermore, the study identified two differential VOCs with VIP > 1 in three Asian countries and five in six African countries. The total VOCs content and sensory characteristic score of “Lemon/Citrus” in Oman frankincense is significantly higher than other regions. The OAV results showed that 61 substances (e.g., Diacety, alpha-Pinene, Camphene, Myrcene) as key aroma compounds and OICS model indicated that p-Cymenol was found to contribute significantly to the citrus aroma in frankincense. This study identified the fundamental components of frankincense flavor and revealed different flavor descriptors of frankincense, which are crucial for reconstructing frankincense flavor and improving flavor quality.
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PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2023
·
IF 4.3
Mohammad Nazari Kalojeh,Roghayeh Hassanpour Sabet,Mir Ali Farajzadeh,Mohammad Reza Afshar Mogaddam,Elnaz Marzi Khosrowshahi,Mustafa Tuzen
A dispersive solid phase extraction procedure was established for the extraction of some pesticides from fruit juices and then it was combined with dispersive liquid-liquid microextraction for more enrichment of the analytes. For this purpose, 40 mg of zeolitic imidazolate framework-carbon dot composite was dispersed into the sample solution as the sorbent via vortex agitation. After that, the sorbent was collected by centrifugation and the supernatant was wasted. Then, 1 mL of a water-soluble organic solvent (acetone) was added onto the sorbent as the elution solvent. After desorption of the analytes from the sorbent surface, the eluate was mixed with a water-immiscible organic solvent (1,1,2-trichloro-1,2,2 trifluoroethane) at µL-level (45 µL) and the mixture was quickly injected into 5 mL deionized water. The resulting cloudy mixture was centrifuged and 1 µL of the sedimented phase was injected into a gas chromatography-flame ionization detection system. After the optimization of the method, its validation was evaluated. The data showed that the limits of detection and quantification obtained by this method were in the ranges of 0.22–0.72 and 0.73–2.40 ng mL −1 , respectively. The plotted calibration curves were linear in the range of 0.73–1000 µg L −1 for all analytes. High enrichment factors (375−445), and extraction recoveries (75–89%), and negligible matrices effect were obtained for the investigated analytes by the introduced method. Also, the obtained data showed that all samples were free of the analytes.
研究领域:
分析化学
·
环境科学
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高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2026
·
IF 6.2
Di Chen,Kangzhuo Yang,Zhanglan He,Zhipeng Liu,Dong Zhao,Jia Zheng,Michael C. Qian
Grains are widely used for the fermentation of spirits, including baijiu. Wuliangye is one of the most renowned baijiu brands, fermented from a blend of five grains: sorghum, wheat, corn, rice, and glutinous rice. To understand the aroma contribution of the raw grains to the product quality, the aroma compounds of “five-grain” were comprehensively investigated by aroma extract dilution analysis (AEDA), “heart-cut” 2D gas chromatography–mass spectrometry/olfactometry (2D GC-GC-MS/O), and comprehensive gas chromatography-time-of-flight mass spectrometry (GC × GC-TOFMS). Thirty-four aroma-active compounds identified in the grains, primarily aldehydes, were further investigated using odor activity values (OAVs), aroma recombination, and omission studies. The results demonstrated that (E,E)-2,4-decadienal, 2-acetyl-1-pyrroline, (E,Z)-2,6-nonadienal, (E)-2-nonenal, (E,E)-2,4-nonadienal, trans-4,5-epoxy-2(E)-decenal, hexanal, and methional were the compounds in “five-grain” important to baijiu aroma. Understanding the origin and fate of these compounds will aid in further research and quality control of this renowned baijiu brand.
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PubMed
高影响因子
NEW JOURNAL OF CHEMISTRY
·
2022
·Vol. 47
·期 3
·1216-1225
·
IF 3.925
Anqi Niu,Hang Xu,Qinlin Yuan,Fengmin Wu,Xuefeng Wei
Lewis acidic ionic liquid-loaded Fe3O4@SiO2 magnetic catalytic microspheres were prepared. When coupled with persulfate, the microspheres catalytically oxidized and removed dibenzothiophene (DBT) from octane. The microspheres used for catalytic desulfurization were characterized and analyzed by SEM, TEM, FT-IR, VSM, and TG-DTA. The results indicated that the prepared catalytic desulfurization microspheres had a uniform particle size distribution, an overall diameter of 200 nm, and a core diameter of Fe3O4 of about 180 nm. The saturation magnetization of the catalytic desulfurization microspheres was 39.8 emug−1, which allowed them to be rapidly magnetically separated. The optimal experimental conditions were 1.5 g catalyst, 1.2 g PMS (20%) oxidant, 30 °C, an initial sulfur content of 500 ppm, 6.0 g octane, and 3.0 g acetonitrile. Under these conditions, the desulfurization rate reached 98.5% after 25 min, which decreased by about 10% after five recycles. GC-MS analysis indicated the oxidation product was dibenzothiophene sulfone (DBTO2). In the desulfurization mechanism, DBT was first extracted by acetonitrile. Then, in the acetonitrile phase, Co2+ catalyzed hydrogen persulfate to form active oxygen atoms that oxidized DBT and eventually formed DBTO2.
研究领域:
化学工程
·
环境科学
·
材料科学
·
分析化学
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高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Balarabe B. Ismail,Rui Huang,Donghong Liu,Xingqian Ye,Mingming Guo
The seeds of Africa's majestic baobab are often discarded or poorly utilized. Few studies explored its potential as a coffee substitute, while the key volatile compounds are still unknown. These compounds were hypothesized to be responsible for baobab's sensory acceptance. In this study, the physicochemical, sensory, and key volatile composition of brews from coffee beans and baobab seeds subjected to different roasting conditions were reported. Roasting increases pH while reducing acidity, total soluble solids, lightness ( L *), redness/greenness ( a *), and yellowness/blueness ( b *) in coffee and baobab brews. Phenolic contents increased significantly ( p < 0.05) with increased roasting intensity in baobab while degrading in coffee. Significant variability of volatile composition existed among coffee and baobab matrices and the roasting conditions. Nevertheless, the presence of several key coffee odorants in baobab from pyrazines, phenols, and furans chemical families, owing to their odour active value ≥ 1, likely contributed to its sensory acceptance.
研究领域:
食品科学
·
农学
·
分析化学
·
感官科学
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PubMed
高影响因子
JOURNAL OF FOOD PROCESSING AND PRESERVATION
·
2022
·Vol. 46
·期 5
·e16550
·
IF 2.609
Zhen Liu,Da-Cheng Kang,Xin-Rui Li,Ling-Xiao Liu,Yun-Guo Liu
In this study, garlic bulbs after harvesting blanched garlic leaves at four different growth periods were used as the main experimental objects, and black garlic was prepared by solid-state fermentation at variable temperatures. The volatile organic compounds and flavor fingerprints of black garlic were analyzed by headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS), and the differences of volatile organic compounds in black garlic were compared by principal component analysis (PCA). The physical and chemical indexes of black garlic changed slightly. As the Maillard reaction went on more thoroughly, the content of 5- HMF in black garlic increased. GC-IMS provided information on the characteristics and intensity of 55 volatile organic compounds (monomers and dimers). The results showed that the relative content of organosulfur compounds in black garlic decreased gradually with the extension of the garlic bulb growth period, which was due to the inherent instability of the organosulfur compounds and more complex compounds being formed as precursors in further reactions. The results by PCA showed that BG0 samples can be well distinguished from BG20 samples. Novelty impact statement In this study, garlic bulbs after harvesting blanched garlic leaves at four different growth periods were used as the main experimental objects, and black garlic was prepared by solid-state fermentation at variable temperatures. The volatile organic compounds and flavor fingerprints of black garlic were analyzed by headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS), and the differences of volatile organic compounds in black garlic were compared by principal component analysis (PCA).
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高影响因子
FOOD RESEARCH INTERNATIONAL
·
2020
·
IF 4.972
An Peng,Lianzhu Lin,Mouming Zhao
This study aimed at obtaining precise quality control standards to efficiently screen Chrysanthemum morifolium Ramat. ‘ Boju ’ with strong xanthine oxidase (XO) inhibitory activity for developing C. morifolium ‘ Boju ’ extract based-hypouricemic functional food. The results indicated significant differences in volatile and phenolic profiles and XO inhibitory (XOI) activities of 31 batches of C. morifolium ‘ Boju ’ collected in herb/tea market. The minority of C. morifolium ‘ Boju ’ having abundant characteristic monoterpenoids and flavonoid aglycones showed strong XOI activities, while the majority of C. morifolium ‘ Boju ’ possessing few corresponding monoterpenoids and flavonoid aglycones exhibited moderate XOI activities. Seven XOI activity-directly related phenolics and ten XOI activity-indirectly related volatiles were identified by UPLC-ESI-QTOF/MS-based and HS-SPME-GC/MS-based spectrum-effect relationships, respectively. Three flavonoids (luteolin, apigenin and acacetin) identified as key XO inhibitors and four monoterpenoids (filifolone, α-terpineol, thymol and piperitenone) closely related to key XO inhibitors were screened for XOI activity-oriented quality control of C. morifolium ‘ Boju ’.
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PubMed
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Junren Xu,Jing Lu,Shanliang Fu,Na Li,Yiqiao Zhao,Kunbo Wang,Zhonghua Liu,Taolin Chen,Jianan Huang,Mingzhi Zhu
Amino acids (AAs) and short-chain fatty acids (SCFAs) are key to tea's flavor and health benefits. This study developed a novel GC–MS and GC-FID method using rapid (3 min), high-sensitivity (0.00062 μg mL −1 < LOD < 0.04964 μg mL −1 ) pre-column derivatization with propyl chloroformate to simultaneously measure 17 AAs and 9 SCFAs. The spatial distribution analysis revealed total AAs and theanine were enriched in tender stems, buds, and tender leaves, while mature and older leaves had lower concentrations. Within the same leaf, theanine, glutamic acid, and acetic acid are primarily located near the leaf veins. Six teas from the same raw material were analyzed for processing impacts, showing green, white, yellow, and oolong teas had higher AA and theanine levels than black and dark teas. Certain dark teas exhibited elevated acetic acid levels compared to other teas. This study enhances our understanding of AA and SCFA profiles, providing valuable insights for tea research.
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PubMed
高影响因子
CHROMATOGRAPHIA
·
2016
·Vol. 79
·期 17
·1197-1205
·
IF 1.332
Zhang Zhongyi,Xiao Huayun,Zheng Nengjian,Gao Xiaofei,Zhu RenGuo
Individual free amino acid δ 15 N values in plant tissue reflect the metabolic pathways involved in their biosynthesis and catabolism and could thus aid understanding of environmental stress and anthropogenic effects on plant metabolism. In this study, compound-specific nitrogen isotope analysis of amino acid by gas chromatography-combustion-isotope ratio mass spectrometry (GC-C-IRMS) was carried out to determine individual free amino acid δ 15 N values. High correlations were observed between the δ 15 N values obtained by GC-C-IRMS and elemental analyzer-isotope ratio mass spectrometry (EA-IRMS) determinations, and the mean precision measured was better than 1 ‰. Cation-exchange chromatography was employed to purify the sample, and the difference between prior to and following passage through the resin was within 1 ‰. The amino acid δ 15 N values of plant leave samples following incubation in 15 N-nitrate at different time points were determined. A typical foliar free amino acid 15 N-enrichment pattern was found, and glutamine was the most rapidly labeled amino acid; other amino acids derived from the GS-GOGAT cycle were also enriched. The pyruvate family amino acids were labeled less quickly followed by the aromatic amino acids. This study highlighted that amino acid metabolism pathways had a major effect on the δ 15 N values. With the known amino acid metabolism pathways and δ 15 N values determined by the presented method, the influence of various external factors on the metabolic cycling of amino acid can be understood well.
研究领域:
植物生理学
·
同位素地球化学
·
环境科学
·
分析化学
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高影响因子
危险品化学品经营许可证（带存储）