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Food Chemistry-X · 2026 · IF 8.2

Effects of variety and cultivation on volatile organic compounds in Dictyophora rubrovolvata: Insights from integrated GC-IMS, GC-MS and E-nose and Multivariate Data Analysis

Lingshuai Meng,Yu Nie,Siyao Wu,Wei Li,Bangxi Zhang,Guangcan Tao,Tingting Zheng,Haijiang Chen,Dong Lin,Xu Song,Sen Cao,Su Xu

This study investigated the volatile organic compounds (VOCs) of Dictyophora rubrovalvata (DR) varying varieties and cultivation conditions by E -nose, GC-MS, GC-IMS, Multivariate Data Analysis (MDA). E-nose and PCA indicated overall volatile intensity as QY1-D (Qianyou-No.1-greenhouse) > QF1-L (Qianfeng-No.1-forest conditions) > QY1-L (Qianyou-No.1-forest conditions) > QF1-D (Qianfeng-No.1-forest greenhouse), GC-MS, GC-IMS analysis highlighted 12 and 35 key VOCs that OAV > 1. GC-MS was particularly sensitive to Hexanal and 2-Octenal, could effectively distinguish the environmental influences on VOCs. However, GC-IMS was sensitive to Ethyl acetate, Acetic acid, 3-Hydroxy-2-butanone and 3-Furanmethanol, and enabling it to not only differentiate the environmental impact on the VOCs but also varieties. Furthermore, MDA demonstrated the combination of GC-MS and GC-IMS were more comprehensively and accurately in characterizing the VOCs. Overall, QY1 exhibited a higher VOCs content than QF1. Besides, the greenhouse environment was more conducive to aroma enrichment in QY1, whereas the undergrowth environment was more beneficial for aroma enrichment in QF1.

CAS / MDL: 103-45-7 13019-20-0
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FOOD RESEARCH INTERNATIONAL · 2023 · IF 8.1

Comparison and discrimination of the terpenoids in 48 species of huajiao according to variety and geographical origin by E-nose coupled with HS-SPME-GC-MS

Yuanyuan Shao,Xiaoqiong Liu,Zhuoya Zhang,Pengxiang Wang,Kaikai Li,Chunmei Li

The unique flavor and aroma characteristics of huajiao were not only influenced by cultivated varieties, maturity, but also geographic origin. This study compared the terpenoids of 48 species of huajiao using headspace solid-phase microextraction–gas chromatography-mass spectrometry (HS-SPME-GC–MS) and electronic nose (E-nose). The E-nose results showed differences in huajiao from different origins and varieties, and from the PCA loading plots it was possible to conclude that some samples contained higher levels of hydrocarbons and alcohols, providing a preliminary discrimination between different species of huajiao. Further, GC-MS results showed that six key biomarkers could be used to distinguish red and green huajiao. Red huajiao in Central China contained more terpenoids than in other regions. Nine key biomarkers could be used to distinguish red huajiao from different regions. Oil huajiao exhibited a more distinct aroma in red huajiao. Green huajiao from Yunnan Province had more terpenoids than that from other provinces. The terpenoids content of Yunnan zhuyeqing was higher than other green huajiao. Heatmap analysis helped to find the most contributors of huajiao, which could be used as key terpenoids to differentiate huajiao of different regions or cultivars. Finally, through the correlation analysis of E-nose and GC-MS, it was found that the E-nose sensors could distinguish different huajiao by specific responses to some terpenoids in the samples.

CAS / MDL: 124-18-5
✓ 已验证 产品关联 DOI PubMed 高影响因子
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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2022 · IF 11.357

Evaluating the Occurrence of Polystyrene Nanoparticles in Environmental Waters by Agglomeration with Alkylated Ferroferric Oxide Followed by Micropore Membrane Filtration Collection and Py-GC/MS Analysis

Qingcun Li,Yujian Lai,Peng Li,Xing Liu,Ziwei Yao,Jingfu Liu,Sujuan Yu

Although nanoplastics (NPs) are recognized as emerging anthropogenic particulate pollutants, the occurrence of NPs in the environment is rarely reported, partly due to the lack of sensitive methods for the concentration and detection of NPs. Herein, we present an efficient method for enriching NPs of different compositions and various sizes. Alkylated ferroferric oxide (Fe3O4) particles were prepared as adsorbents for highly efficient capture of NPs in environmental waters, and the formed large Fe3O4–NP agglomerates were separated by membrane filtration. Detection limits of 0.02–0.03 μg/L were obtained for polystyrene (PS) and poly(methyl methacrylate) (PMMA) NPs by detection with pyrolysis–gas chromatography–mass spectrometry (Py-GC/MS). When analyzing real water samples from different sources, it is remarkable that PS NPs were detected in 11 out of 15 samples with concentrations ranging from <0.07 to 0.73 μg/L, while PMMA were not detected. The wide detection of PS NPs in our study confirms the previous speculation that NPs may be ubiquitous in the environmental waters. The accurate quantification of PS NPs in environmental waters make it possible to monitor the pollution status of NPs in aquatic systems and evaluate their potential risks.

CAS / MDL: 25249-54-1 9003-39-8
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FOOD CONTROL · 2022 · IF 6.652

Rapid and sensitive quantitation of DDMP (2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one) in baked red jujubes by HS-SPME-GC-MS/MS

Yening Qiao,Jinfeng Bi,Qinqin Chen,Xinye Wu,Xinwen Jin,Min Gou,Xinrui Yang,Giorgia Purcaro

Baked red jujube is a common food ingredient used to enrich the nutritional value and enhance the aroma. DDMP (2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one) with intense bitterness and potential toxicity may be present in several baked red jujube-based products but there are no well-defined methods to measure it quickly, sensitively, and accurately. Headspace solid-phase microextraction with gas chromatography-tandem mass spectrometry (HS-SPME-GC-MS/MS) was applied for the analysis of DDMP. The standard curve was linear between the concentrations of 0.01 and 100 μg/mL, with a limit of detection at 0.1 ng/g that below the sensory threshold of DDMP (2.06 μg/g). Five cultivars of baked red jujubes from China were evaluated with the method for DDMP content (4.55–46.50 μg/g). The results indicated that jujube cultivars with a higher molar ratio of proline to glucose, lower moisture content, and stronger ability to resist water stress should be avoided from baking to modulate the formation of DDMP.

CAS / MDL: 110-54-3
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MICROCHIMICA ACTA · 2020 ·Vol. 187 ·期 9 ·1-12 · IF 6.232

Magnetic solid phase extraction sorbents using methyl-parathion and quinalphos dual-template imprinted polymers coupled with GC-MS for class-selective extraction of twelve organophosphorus pesticides

Liu Lixia,Yang Minli,He Muyi,Liu Tong,Chen Fengming,Li Yinlong,Feng Xuesong,Zhang Yuan,Zhang Feng

A novel magnetic dual-template molecularly imprinted polymer (DMIP) was prepared with methyl-parathion and quinalphos as templates. For comparison, a series of single-template polymers with only methyl-parathion (MPMIP) or quinalphos (QPMIP) as template as well as a non-imprinted polymer (NIP) in the absence of the template, were synthesized using the same procedure of DMIP. The obtained MIPs were characterized by scanning electron microscopy(SEM), Fourier transform infrared (FT-IR) spectroscopy, vibrating sample magnetometer (VSM), and X-ray diffraction (XRD). The properties including kinetic effect, thermodynamic effect, selectivity, and reusability of MIPs were investigated . Only DMIP possessed high affinity and good recognition for all twelve OPPs including quinalphos, isazophos, chlorpyrifos-methyl, chlorpyrifos, methidathion, triazophos, profenofos, fenthion, fenitrothion, methyl-parathion, parathion, and paraoxon in comparison to MPMIP, QPMIP, or NIP. Moreover, DMIP was used as magnetic solid phase extraction (MSPE) sorbent for the pre-concentration of twelve OPPs in cabbage samples. The developed DMIP-MSPE-GC-MS method showed high sensitivity, low LODs (1.62–13.9 ng/g), fast adsorption equilibrium (10 min), and acceptable spiked recoveries (81.5–113.4%) with relative standard deviations (RSD) in the range 0.05–7.0% ( n  = 3). The calibration plots were linear in the range 10–800 ng/mL with coefficients of determination ( R 2 ) better 0.99 for all twelve compounds. These results suggest that the DMIP is applicable for rapid determination and high throughput analysis of multi-pesticide residues. Graphical abstract

CAS / MDL: 7782-63-0 7705-08-0
✓ 已验证 产品关联 DOI PubMed 高影响因子
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MICROCHIMICA ACTA · 2018 ·Vol. 185 ·期 8 ·1-11 · IF 5.705

Computer-aided design of magnetic dummy molecularly imprinted polymers for solid-phase extraction of ten phthalates from food prior to their determination by GC-MS/MS

Lu Chunxia,Tang Zonggui,Gao XiaoXu,Ma Xiaomei,Liu Changbin

Magnetic dummy molecularly imprinted polymers (MDMIPs) were prepared by combining the surface imprinting technique with computer simulation for selective recognition of phthalate esters (PAEs). A computational study based on the density functional theory was performed to evaluate the template–monomer geometry and interaction energy in the prepolymerization mixture. The MDMIPs were characterized by transmission electron microscopy, scanning electron microscopy, vibrating sample magnetometry, X-ray diffraction, and Fourier transform infrared spectroscopy. They exhibited (a) high saturation magnetization of 53.14 emu g −1 (leading to fast separation), and (b) large adsorption capacity, fast binding kinetics, and high selectivity for PAEs. Subsequently, a molecularly imprinted solid-phase extraction procedure followed by GC-MS was established for selective extraction and determination of 10 PAEs in food samples. Under the optimal experimental conditions, the response (peak area) was linear in the 0.5–100 ng mL −1 concentration range. The limits of detection ranged from 0.15 to 1.64 ng g −1 . The method was applied to the determination of PAEs in spiked real samples. The recoveries for 10 PAEs from various foods were in the range of 73.7%–98.1%, with relative standard deviations of 1.7%–10.2%. Magnetic dummy molecularly imprinted polymers (MDMIPs) were prepared and successfully were applied as a special sorbent for the selective recognition and fast enrichment of 10 PAEs from different complex matrix.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Comprehensive investigation on the dynamic changes of volatile metabolites in fresh scent green tea during processing by GC-E-Nose, GC–MS, and GC × GC-TOFMS

Qiwei Wang,Jialing Xie,Lilei Wang,Yongwen Jiang,Yuliang Deng,Jiayi Zhu,Haibo Yuan,Yanqin Yang

Processing technology plays a crucial role in the formation of tea aroma. The dynamic variations in volatile metabolites across different processing stages of fresh scent green tea (FSGT) were meticulously tracked utilizing advanced analytical techniques such as GC-E-Nose, GC–MS, and GC × GC-TOFMS. A total of 244 volatile metabolites were identified by GC–MS and GC × GC-TOFMS, among which 37 volatile compounds were concurrently detected by both methods. Spreading and fixation stages were deemed as pivotal processes for shaping the volatile profiles in FSGT. Notably, linalool, heptanal, 2-pentylfuran, nonanal, β -myrcene, hexanal, 2-heptanone, pentanal, 1-octen-3-ol, and 1-octanol were highlighted as primary contributors to the aroma profiles of FSGT by combining odor activity value assessment. Furthermore, lipid degradation and glycoside hydrolysis were the main pathways for aroma formation of FSGT. The results not only elucidate the intricate variations in volatile metabolites but also offer valuable insights into enhancing the processing techniques for improved aroma quality of green tea.

CAS / MDL: 110-38-3
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MOLECULES · 2024 ·Vol. 29 ·期 5 ·1142 · IF 4.2

Comparison of Flavonoid Content, Antioxidant Potential, Acetylcholinesterase Inhibition Activity and Volatile Components Based on HS-SPME-GC-MS of Different Parts from Matteuccia struthiopteris (L.) Todaro

Xin Wang,Jiatao Guo,Siqi Zang,Baodong Liu,Yuhuan Wu

Matteuccia struthiopterisis one of the most globally consumed edible ferns and widely used in folk medicine. Reports mainly focus on young fronds and the rhizome which are common edible medicinal parts. However, there are few detailed reports on other parts. Therefore, the volatile components of different parts based on HS-SPME-GC-MS were identified, and total flavonoid contents, antioxidant activities and acetylcholinesterase inhibitory activities were compared in order to reveal the difference of volatile components and potential medicinal value of different parts. The results showed that total flavonoid contents, antioxidant activities and volatile components of different parts were obviously different. The crozier exhibited the strongest antioxidant activities, but only underground parts exhibited a dose-dependent inhibition potential against AChE. Common volatile compounds were furfural and 2-furancarboxaldehyde, 5-methyl-. In addition, it was found that some volatile components from adventitious root, trophophyll, sporophyll and petiole were important ingredients in food, cosmetics, industrial manufacturing and pharmaceutical applications.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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MOLECULES · 2024 ·Vol. 29 ·期 9 ·2068 · IF 4.2

Amine Switchable Hydrophilic Solvent Vortex-Assisted Homogeneous Liquid–Liquid Microextraction and GC-MS for the Enrichment and Determination of 2, 6-DIPA Additive in Biodegradable Film

Kai Cai,Qiang Liu,Yechun Lin,Xingyou Yang,Qi Liu,Wenjie Pan,Weichang Gao

2, 6-diisopropylaniline (2, 6-DIPA) is a crucial non-intentionally organic additive that allows the assessment of the production processes, formulation qualities, and performance variations in biodegradable mulching film. Moreover, its release into the environment may have certain effects on human health. Hence, this study developed simultaneous heating hydrolysis–extraction and amine switchable hydrophilic solvent vortex-assisted homogeneous liquid–liquid microextraction for the gas chromatography–mass spectrometry analysis of the 2, 6-DIPA additive and its corresponding isocyanates in poly(butylene adipate-co-terephthalate) (PBAT) biodegradable agricultural mulching films. The heating hydrolysis–extraction conditions and factors influencing the efficiency of homogeneous liquid–liquid microextraction, such as the type and volume of amine, homogeneous-phase and phase separation transition pH, and extraction time were investigated and optimized. The optimum heating hydrolysis–extraction conditions were found to be a H2SO4concentration of 2.5 M, heating temperature of 87.8 °C, and hydrolysis–extraction time of 3.0 h. As a switchable hydrophilic solvent, dipropylamine does not require a dispersant. Vortex assistance is helpful to speed up the extraction. Under the optimum experimental conditions, this method exhibits a better linearity (0.0144~7.200 μg mL−1withR= 0.9986), low limit of detection and quantification (0.0033 μg g−1and 0.0103 μg g−1), high extraction recovery (92.5~105.4%), desirable intra- and inter-day precision (relative standard deviation less than 4.1% and 4.7%), and high enrichment factor (90.9). Finally, this method was successfully applied to detect the content of the additive 2, 6-DIPA in PBAT biodegradable agricultural mulching films, thus facilitating production process monitoring or safety assessments.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF THE ENERGY INSTITUTE · 2025 · IF 6.2

Synergistic catalytic upgrading of spirulina bio-oil via Ni @ alkali-modified HZSM-5 in microwave-assisted two-stage hydrothermal liquefaction

Chenyu Yang,Xinru Ma,Yaohui Fan,Feiyu Zou,Wenjuan Bai,Dianming Chu,Haoxi Ben,Zhaoying Li,Yan He

The urgent need to address global energy shortages and environmental pollution has accelerated the development of renewable algal bio-oils. Spirulina stands out as an ideal feedstock for hydrothermal liquefaction (HTL) owing to its high carbon sequestration rate, non-competition with arable land, and rich protein-lipid content. However, Spirulina-derived bio-oil typically suffers from high oxygen content and low heating value. To overcome these limitations, this study developed a microwave-assisted two-stage HTL process integrated with a Ni-loaded, alkali-modified HZSM-5 catalyst. Unlike conventional catalysts that often rely on costly noble metals or suffer from diffusion limitations in microporous structures, this system employs earth-abundant nickel on a hierarchically structured zeolite to enhance both cost-effectiveness and catalytic efficiency. HZSM-5 was treated with NaOH to create mesoporosity, followed by Ni impregnation to introduce hydrogenation functionality. The effects of NaOH concentration and Ni loading on catalyst properties were systematically investigated. Process optimization was performed via response surface methodology using a 3 % sulfuric acid medium, and bio-oil composition was analyzed by GC/MS. Modification with 1 mol/L NaOH increased hydrocarbon content to 32.9 %, while subsequent loading with 5 wt% Ni synergistically boosted the yield to 48.1 %. Molecular dynamics simulations provided mechanistic insights into bond cleavage and conversion pathways of Spirulina-derived model compounds in subcritical water. Compared with existing catalytic systems, this study significantly improves the quality of biofuels, providing an efficient catalytic strategy and fundamental insights for the production of high-quality bio-oil from spirulina.

CAS / MDL: 1310-73-2
研究领域: 可再生能源 · 催化 · 生物燃料生产 · 化学工程 · 环境科学 · 绿色化学
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JOURNAL OF CHROMATOGRAPHY A · 2025 · IF 4

A simple derivatization and highly sensitive gas chromatography-mass spectrometry method for the determination of glycidol and 2-/3-monochloropropanediol in heated tobacco product aerosol

Bing Wang,Fuwei Xie,Mantang Chen,Pingping Shang,Lining Pan,Huapeng Cui,Yaqiong Qin,Li Zhang,Jizhao Guo,Xiaobing Zhang,Cong Nie,Xiaoyu Wang,Shaofeng Liu

Glycidol, 3-chloropropane-1,2-diol (3-MCPD), and 2-chloropropane-1,3-diol (2-MCPD), known as thermal processing contaminants, have been identified in heated tobacco product (HTP) aerosol, raising significant health concerns. Therefore, it is necessary to establish a quantitative analytical method for the release of them. In this study, ethyl acetate was used to extract the aerosol of HTP collected by Cambridge filter pad (CFP), the extract was derivatized with heptafluorobutyrylimidazole (HFBI), washed and dried before being analyzed by gas chromatography-mass spectrometry (GC-MS). The retention index and mass spectral characteristics of glycidol-HFBI derivative were characterized for the first time. The limits of quantification (LOQs) for glycidol, 3-MCPD and 2-MCPD were 58.32, 37.51 and 55.88 ng/cigarette respectively;the intra- and inter-day precision were less than 10% with recoveries ranging from 89% to 111%. The analysis results of eight domestic and foreign HTPs showed that: (1) The three target compounds were detected in all eight samples, indicating their widespread presence in HTP aerosol. (2) Significant variations in per-puff emission among samples suggested formulation and heating mode significantly impact glycidol and MCPDs release. (3) Glycidol and 3-MCPD were the major released substances, accounting for about 80% of the total three compounds emission. This study establishes a sensitive, reliable method for determining glycidol, 3-MCPD and 2-MCPD in HTP aerosol, providing critical technical support for health risk assessments.

研究领域: 分析化学 · 环境卫生 · 毒理学 · 食品科学 · 烟草科学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2022 · IF 6.056

Untargeted metabolomics analysis based on HS-SPME-GC-MS and UPLC-Q-TOF/MS reveals the contribution of stem to the flavor of Cyclocarya paliurus herbal extract

Lu Liang,Yuchen Liu,Yuxin Liu,Siyi Gan,Xuejin Mao,Yuanxing Wang

The herbal tea made from the leaves and stems of Cyclocarya paliurus is thought to be more flavorful than those made from the leaves only. However, evidence supporting this view is not available yet. 53 VOCs and 54 non-VOCs were identified via HS-SPME-GC-MS and UPLC-Q-TOF/MS, respectively, which were found to vary dramatically in three groups of samples (combination of stems and leaves, separated leaves, and separated stems). 11 VOCs and 18 non-VOCs potential markers are responsible for the change of metabolic effects through the biosynthesis of flavonoids, the synthesis of terpenoids, and the oxidation of fatty acids and carotenoids. In response, the stems were effective to enhance fatty odors, the initial astringency and bitterness and the aftertaste of sweetness of the leaves. Stems are conducive to increasing total phenolic content, total flavonoid content and antioxidant capacity of Cyclocarya paliurus herbal extract because of the increase in polyphenols. In addition, the stems have the potential to be used as raw materials for nerolidol and polyphenols extraction. This study has been the first to determine the contribution of stem to the flavor of Cyclocarya paliurus herbal tea and these results provide the theoretical basis for making Cyclocarya paliurus herbal tea with stems.

研究领域: 植物化学 · 食品科学 · 代谢组学
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