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MOLECULES · 2021 ·Vol. 26 ·期 15 ·4472 · IF 4.412

Phytochemical Composition, Antioxidant Activity, and Enzyme Inhibitory Activities (α-Glucosidase, Xanthine Oxidase, and Acetylcholinesterase) of Musella lasiocarpa

Rurui Li,Yuerong Ru,Zhenxing Wang,Xiahong He,Kin-Weng Kong,Tingting Zheng,Xuechun Zhang

In this study, we aimed to investigate the chemical components and biological activities ofMusella lasiocarpa, a special flower that is edible and has functional properties. The crude methanol extract and its four fractions (petroleum ether, ethyl acetate, n-butanol, and aqueous fractions) were tested for their total antioxidant capacity, followed by their α-glucosidase, acetylcholinesterase, and xanthine oxidase inhibitory activities. Among the samples, the highest total phenolic and total flavonoid contents were found in the ethyl acetate (EtOAc) fraction (224.99 mg GAE/g DE) and crude methanol extract (187.81 mg QE/g DE), respectively. The EtOAc fraction ofMusella lasiocarpaexhibited the strongest DPPH· scavenging ability, ABTS·+scavenging ability, and α-glucosidase inhibitory activity with the IC50values of 22.17, 12.10, and 125.66 μg/mL, respectively. The EtOAc fraction also showed the strongest ferric reducing antioxidant power (1513.89 mg FeSO4/g DE) and oxygen radical absorbance capacity ability (524.11 mg Trolox/g DE), which were higher than those of the control BHT. In contrast, the aqueous fraction demonstrated the highest acetylcholinesterase inhibitory activity (IC50= 10.11 μg/mL), and the best xanthine oxidase inhibitory ability (IC50= 5.23 μg/mL) was observed from the crude methanol extract as compared with allopurinol (24.85 μg/mL). The HPLC-MS/MS and GC-MS analyses further revealed an impressive arsenal of compounds, including phenolic acids, fatty acids, esters, terpenoids, and flavonoids, in the most biologically active EtOAc fraction. Taken together, this is the first report indicating the potential ofMusella lasiocarpaas an excellent natural source of antioxidants with possible therapeutic, nutraceutical, and functional food applications.Keywords:Musella lasiocarpa;antioxidant activity;α-glucosidase;xanthine oxidase;acetylcholinesterase;HPLC-MS/MS;GC-MS

研究领域: 植物化学 · 药理学 · 营养学
✓ 已验证 DOI PubMed 高影响因子
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Food Analytical Methods · 2018 ·Vol. 11 ·期 6 ·1677-1689 · IF 2.245

Comparison of SPME Versus SAFE Processes for the Analysis of Flavor Compounds in Watermelon Juice

Liu Ye,He Congcong,Song HuanLu

The aim of the study was to compare the extraction efficiency of headspace and solvent extraction methods on watermelon juice flavor. Solid-phase microextraction (SPME) and solvent-assisted flavor evaporation (SAFE) techniques were employed to extract the volatiles from watermelon juice. Aroma compounds were separated and analyzed through gas chromatography-olfactometry-mass spectrometry (GC-MS/O) equipped with DB-5 and DB-Wax capillary columns. Forty-seven compounds were identified by SPME (30) and SAFE (28). These compounds included 7 aldehydes, 10 olefinic aldehydes, 14 alcohols, 7 sulfur compounds, 5 ketones, and 4 miscellaneous compounds. SPME extracted the saturated aldehydes, olefinic aldehydes, alcohols, and ketones effectively, whereas SAFE exerted better efficiency to extract sulfur compounds. ( Z,Z )-3,6-Nonadienal, ( Z )-6-nonen-1-ol, ( E )-2-hexenal, ( E )-2-nonenal, hexanal, nonanal, ( Z )-3-nonen-1-ol, and ( E )-2-octenal were identified as the key aroma compounds through odor activity value (OAV) and aroma extract dilution analysis (AEDA). Also, the aroma compounds can be extracted comprehensively by the combination of both SPME and SAFE techniques.

研究领域: 食品科学 · 分析化学
✓ 已验证 DOI 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

Temporal analysis of non-targeted flavor component variation in green tea storage and rapid prediction of storage duration

Zhen Wang,Waqas Ahmad,Songguang Zhao,Afang Zhu,Shuhao Huo,Quansheng Chen

The precise changes in the flavor quality of green tea before and after the optimal consumption period remain elusive. This study used HS-SPME-GC–MS to carefully examine the volatile compounds of green tea samples from multiple storage periods and simultaneously detected changes in taste and color during tea infusion. Notably, 16 compounds with VIP > 1.5 were identified, highlighting their significance in the overall analysis profile. Among these components, nonanoic acid, octanoic acid and hexanal were identified as potential contributors to off-flavors and rancid oil flavors in tea after storage. The color of the tea broth becomes darker. Bitter flavor is associated with increased amino acid content. The PSO-SVM model showed excellent accuracy for predicting the storage duration of green tea. These findings provide critical theoretical understandings of green tea manufacturing and quality control.

CAS / MDL: 110-38-3
研究领域: 食品科学 · 茶叶研究 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2023 ·Vol. 12 ·期 13 ·2440 · IF 5.2

Cultivation and Nutritional Evaluation of Agaricus bisporus with Tea Residue as Culture Medium

Zhuochen Wang,Mengru Li,Jundi Fan,Yuting Bao,Qi Chen

Different constituents of the cultivation substrate have significant effect on the yield and quality of edible mushrooms. The residue after the extraction of instant tea has exhibited to be biologically significant, and could be used as a substrate for cultivation. This study aimed to investigate the feasibility of tea extraction residue (TER) on button mushroom (Agaricus bisporus) cultivation, as an ingredient in the substrate, and assess the growth status, nutritional values, and sensory characteristics of fruiting body. The results showed that the strains could grow well on the cultivated substrate with 20% addition of TER. The total amount of hydrolyzed amino acids in the fruiting bodies of three TER-based groups (TER accounted for 10%, 20%, and 37.5%, respectively) was higher than that of the control group, and the total amount of essential amino acids was increased by 33.33%, 22.47%, and 9.92% compared with the control group, respectively. In addition, the results of gas chromatography-mass spectrometry (GC-MS) revealed that the addition of TER to the cultivation of substrate significantly enhanced the content of typical mushroom-flavor compounds in button mushroom, such as 1-octen-3-ol, 3-octanol, and 1-octen-3-one. It can be concluded that TER may be an ideal choice for the substrate in commercial cultivation of button mushroom.Keywords:button mushroom (Agaricus bisporus);cultivation substrate;tea extraction residue;flavor compounds;gas chromatography-mass spectrometry (GC-MS)

CAS / MDL: 10043-52-4 110-38-3
研究领域: 食用菌学 · 营养学 · 食品科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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MOLECULES · 2026 ·Vol. 31 ·期 17 ·2957 · IF 5.1

Cracking the EI Code: Fragmentation Patterns for Structural Elucidation of Neonicotinoid Insecticides by GC-MS

Qiu Sun,Jia Chen,Peiwen Yu,Julan Ye,Qiaoyu Chen,Yehua Han,Xianjiang Li,Wen Ma

Although neonicotinoids (NEOs) insecticides have been extensively detected in environmental matrices, their electron ionization (EI) fragmentation patterns have never been systematically elucidated. Because of the poor thermal stability of NEOs, gas chromatography–mass spectrometry (GC-MS) is rarely used in analysis of NEOs. This work investigated eight representative NEOs by GC-MS using multiple isotopically labeled standards, including2H and13C labeled standards to clarify fragmentation routes and establish robust structural assignment criteria. We found two main factors affecting EI fragmentation patterns. (1) The pharmacophore controlled the backbone cleavage pathway. Specifically, nitroguanidines underwent transketolation with loss of N2O, while cyanoamidines fragment via α-cleavage. (2) The heterocycle moiety determined the diagnostic fragment ion. A heterocyclic group with chloropyridine gave the diagnostic fragment ion ofm/z126, and a chlorothiazole moiety gave the diagnostic fragment ion ofm/z132. The lack ofm/z126 andm/z132 ions in the case of dinotefuran (DNT), which contained neither of these two moieties, indirectly suggested the rules. This set of rules effectively bridged the gap in EI mass spectral interpretation, providing a basis for ion transition selection and fragment assignment during GC-MS method development. Moreover, it could provide supportive mass-spectrometric clues for potential application in the structural elucidation of related compounds.

CAS / MDL: 105843-36-5
✓ 已验证 产品关联 DOI PubMed 高影响因子
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CARBOHYDRATE POLYMERS · 2025 · IF 12.5

An alternative GC–MS library for methylation analysis of polysaccharides via partially methylated aldononitrile acetates

Ye Li,Jia-Ning Gao,Jun Liang,Xin-Hua Zhu,Hai-Xue Kuang,Yong-Gang Xia

The accurate characterization of glycosyl linkages in complex carbohydrates is always a challenging task due to the occurrence of isomer diversity and the unavailability of known standards. Because of the significant difference between head and tail in structures, this article built a complete methylation analysis library based on partially methylated aldononitrile acetates (PMANs) for facilitated identification of complex glycosidic linkages in polysaccharides. This library covered full EI-MS spectra and detailed fragmentation behaviors of corresponding PMANs ascribed to 46 aldohexoses, 32 aldopentoses and 16 deoxyhexoses. Furthermore, the elute behaviors of these PMANs are summarized on two capillary columns ascribed to complementary polarities. It is quite benefit to elucidate the glycosyl linkages of polysaccharides for inexperienced researchers in this field. The newly established PMAN library has been conformed to be an effective and alternative strategy for glycosyl linkage analysis of polysaccharides.

CAS / MDL: 108-24-7
研究领域: 分析化学 · 糖生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2025 · IF 6.6

Aroma profiling by HS-SPME/GC-MS of black tea produced from different leaf grades

Yang-bo Xiao,Rongji Tian,Ying-ying Shen,Han Tang,Jian-an Huang,Wenliang Wu,Shu-guang Zhang,Xia Yin

Leaf grade is a critical factor influencing black tea aroma formation, yet the precise relationship between leaf grade and aroma characteristics, along with their key volatile compounds, remains unclear. This study employed sensory evaluation combined with headspace solid phase microextraction/gas chromatography-Mass spectrometry (HS-SPME/GC-MS), odor activity values (OAV), partial least squares (PLS) regression, and correlation analysis to investigate the association between leaf grades and aroma attributes, as well as their key volatile compounds. Sensory evaluation and quantitative analysis revealed that as fresh tea leaf grade decreased, the sweet aroma attribute gradually declined, while the floral aroma initially decreased before increasing. GC-MS and OAV analyses identified 22 and 23 differential aroma-active compounds in ‘Jinguanyin’ (JGY) and ‘Jinmudan’ (JMD) black teas of different grades, respectively. Furthermore, PLS modeling and correlation analysis determined that β-damascenone, β-myrcene, geraniol, linalool, and trans -β-ocimene were key compounds responsible for sweet aroma variations across leaf grades, whereas methyl jasmonate, β-ionone, and jasmine lactone were identified as critical compounds influencing floral aroma differences. This study deciphered the chemical basis of how leaf grades affect black tea aroma quality, providing theoretical guidance for precision processing of black tea.

研究领域: 食品科学 · 分析化学 · 感官分析 · 植物生物化学
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Biomed Research International · 2018 · IF 2.583

Linezolid Inhibited Synthesis of ATP in Mitochondria: Based on GC-MS Metabolomics and HPLC Method

Xuemei Ye,Aifang Huang,Xianqin Wang,Congcong Wen,Lufeng Hu,Guanyang Lin

Linezolid has been widely used in serious infections for its effective inhibiting effect against multidrug-resistant gram-positive pathogens. However, linezolid caused severe adverse reactions, such as thrombocytopenia, anaemia, optic neuropathy, and near-fatal serotonin syndrome. In order to investigate the toxicity of linezolid, twenty-four Sprague-Dawley rats were randomly divided into: control group (n=7), low-group (n=8), and high-group (n=9). The rats of low-group and high-group were given by gavage with linezolid 60 and 120 mg/kg/day for 7 days, respectively. The serum concentration of linezolid was determined by high performance liquid chromatography (HPLC); blood metabolic change was analyzed by gas chromatography-mass spectrometer (GC-MS). Adenosine triphosphate (ATP) concentration in HepG2-C3A after being cultured with linezolid was determined by HPLC. The results showed that there were six metabolites and nine metabolites had statistical differences in low-group and high-group (P<0.05). The trimethyl phosphate was the most significant indicator in those changed metabolites. Except for d-glucose which was slightly increased in low-group, octadecanoic acid, cholest-5-ene, hexadecanoic acid, α-linolenic acid, eicosapentaenoic acid, 9,12-Octadecadienoic acid, and docosahexaenoic acid were all decreased in low-group and high-group. ATP concentration was decreased in HepG2-C3A after cultured with linezolid. In conclusion, the toxicity of linezolid is related to its serum concentration. Linezolid may inhibit the synthesis of ATP and fatty acid.

CAS / MDL: 4229-44-1
研究领域: 药理学 · 毒理学 · 代谢研究
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2024 · IF 6.5

HS-SPME-GC-MS untargeted metabolomics reveals key volatile compound changes during Liupao tea fermentation

Jianfeng Liang,Hailin Wu,Mingfei Lu,Ya Li

This study used headspace solid-phase microextraction-gas chromatography–mass spectrometry and multivariate statistical analysis to comprehensively analyze the volatile components in Liupao tea samples throughout fermentation. In total, 1009 volatile organic compounds were detected and identified, including terpenoids, heterocyclic compounds, esters, ketones, hydrocarbons, alcohols, aromatics, and acids. Principal component and hierarchical cluster analyses, characterize the volatile components of Liupao tea samples were characterized at various fermentation stages. Orthogonal partial least squares discriminant analysis identified 248 differentiating compounds (VIP ≥ 1, P  < 0.05, and |Log 2 FC| ≥ 1.0) during fermentation. K-means clustering analysis showed that 11 metabolites increased significantly throughout the fermentation process, whereas 31 metabolites decreased continuously. Annotation of these differential compounds revealed significant changes in sensory flavor characteristics in “green, sweet, fruity, floral, and woody” flavors. The results demonstrated significant variations in the volatile components of Liupao tea fermentation, along with notable changes in flavor characteristics.

研究领域: 食品科学 · 分析化学 · 植物代谢
✓ 已验证 产品关联 DOI PubMed 高影响因子
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2022 · IF 6.056

Flavor deterioration of Mandarin juice during storage by MDGC-MS/O and GC-MS/PFPD

Yujiao Cheng,Guijie Li,Houjiu Wu,Guolu Liang,Hua Wang

Commercial mandarin juice often exhibits flavor deterioration during storage. The changes in volatile flavor profiles were investigated in mandarin juice stored under three different temperature conditions (4 °C, 25 °C, and 40 °C). The application of multidimensional gas chromatography-mass spectrometry/olfactometry (MDGC-MS/O) coupled with aroma extract dilution analysis (AEDA) identified 31 odorants in stored mandarin juice, including seven off-flavor contributing compounds: methanethiol (unpleasant, repulsive), dimethyl sulfide (sulfur, cabbage), methional (cooked potato), p -cymene (solventy), 4-vinylguaiacol (medicine), terpinen-4-ol (wood), and α-terpineol (floral, mint). 4-Vinylguaiacol was also identified in mandarin juice for the first time. In addition, 64 volatile compounds determined by GC-MS/pulsed flame photometric detector (GC-MS/PFPD) were classified as alcohols, terpenes, volatile sulfur compounds (VSCs), aldehydes, esters, ketones, and phenols. Volatile compound differences were observed in mandarin juice under different storage conditions by heat-map generation and principal component analysis (PCA). The results revealed that high-temperature storage led to a rapid increase in the concentration of total alcohols and VSCs. Furthermore, the flavor deterioration markers α-terpineol and dimethyl sulfide were identified based on off-flavor contribution and variable importance in projection (VIP) (score >1) values in the PLS-DA model. These two compounds are valuable for marker-assisted flavor deterioration analysis in mandarin juice during storage.

✓ 已验证 DOI 高影响因子
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Foods · 2022 ·Vol. 11 ·期 17 ·2584 · IF 5.561

Determination of 2-Pentanol Enantiomers via Chiral GC-MS and Its Sensory Evaluation in Baijiu

Lisha Hu,Shuyi Qiu,Yifeng Dai,Luqin Tian,Chaoyang Wei

The enantiomeric contents of 2-pentanol of Baijiu were analyzed by liquid-liquid extraction (LLE) coupled with gas chromatography-mass spectrometry (GC-MS) using β-cyclodextrin as a chiral stationary phase. In this study, the average enantiomeric ratiosR:Swere 72:28, 64:36, and 94:6 in soy sauce aroma-type Baijiu (SSB), strong aroma-type Baijiu (STB), and light aroma-type Baijiu (LTB), respectively, and only(R)- configuration was found in rice aroma-type Baijiu (RTB). The highest enantiomeric concentration of 2-pentanol was found in STB.(R)-2-pentanol dominated in 48 Baijiu studied, and the concentration of(R)-2-pentanol was higher than that of the(S)-configuration. The results showed that the enantiomers of 2-pentanol were discrepant in different aroma types of Baijiu, and it may be the result of differences in raw materials, environment, and production processes. The 2-pentanol enantiomers had different odor characteristics, with different olfactory thresholds in pure water and 46% ethanol solutions by sensory analysis.(R)-2-pentanol was described as paint, rubber, grease, while the(S)-form had mint, plastic, and pungent notes. The olfactory thresholds of(R)- and(S)-form were 163.30 mg/L and 78.58 mg/L in 46% ethanol and 12.62 mg/L and 3.03 mg/L in pure water, respectively. The different enantiomeric distribution and aroma characteristics of the 2-pentanol enantiomers in Baijiu could be a potential marker for determining adulteration.Keywords:Baijiu;2-pentanol;chirality;enantiomer;sensory analysis

CAS / MDL: 64-17-5
研究领域: 分析化学 · 食品科学 · 感官科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS · 2020 · IF 3.905

Catalytic fast pyrolysis of biomass with Ni-P-MCM-41 to selectively produce levoglucosenone

Kai Li,Bo Wang,Dana Bolatibieke,Dong-Hong Nan,Zhen-Xi Zhang,Min-Shu Cui,Qiang Lu

Levoglucosenone (LGO) is a valuable chiral synthon and can be produced from pyrolysis of cellulose and biomass. In the present study, Ni-P-MCM-41 catalysts with various P-to-Ni ratios were prepared and employed for selective production of LGO from biomass. Both analytical pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS) and lab-scale experiments were conducted to explore the effects of several factors on the formation of LGO, including P-to-Ni ratio in Ni-P-MCM-41, catalyst/sample ratio and pyrolysis temperature. The results revealed that all the Ni-P-MCM-41 catalysts, especially the one with a P-to-Ni ratio of 5, exhibited excellent catalytic capability and selectivity for LGO production. For Py-GC/MS, the maximal LGO yields of 27.34 wt% and 14.30 wt% were achieved from cellulose and pine at 350 °C with catalyst/cellulose ratio of 3 and catalyst/pine ratio of 2, respectively. While in lab-scale experiments, the highest LGO yields from cellulose and pine were 21.37 wt% and 10.71 wt%, with the corresponding selectivity of 78.31% and 53.75%, respectively. The Ni-P-MCM-41 catalyst possessed much better catalytic efficiency on the LGO production than previously reported catalysts, including H 2 SO 4 , H 3 PO 4 , solid superacid, solid phosphoric acid and activated carbon.

CAS / MDL: 9004-34-6
研究领域: 化学工程 · 可再生能源 · 催化 · 分析化学
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