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ANALYTICAL BIOCHEMISTRY · 2021 · IF 3.365

Polydimethylsiloxane/ZIF-8@GO sponge headspace solid-phase extraction followed by GC-MS for the analysis of lavender essential oil

Xin Liu,Jihong Fu,Lili Wang,Caijuan Wang

A novel microwave-assisted (MA) headspace solid-phase extraction (HS-SPE) based on polydimethylsiloxane (PDMS)/ZIF-8@GO sponge was developed for the simultaneous extraction and determination of essential oil constituents in lavender. The PDMS/ZIF-8@GO sponge with a high surface area and excellent adsorption capacity was successfully applied in the HS-SPE process. Microwave-assisted coupled with PDMS/ZIF-8@GO sponge headspace solid-phase extraction followed by GC-MS was proposed. Different experimental parameters were investigated. The optimal conditions were found to be as follows: 2:1 as the quality ratio of ZIF-8 to GO , ZIF-8@GO dosage of 30 mg, microwave power of 600 W, extraction time of 10 min and desorption solvent of n -hexane. This method was successfully applied to the analysis of 11 samples of lavender in different varieties. A total of 52 compounds were identified by the proposed method. A good linearity was observed from 14 to 800 ng with a correlation coefficient (R 2 ) value of >0.99. Multivariate statistical analysis was used to establish the relationship between the varieties and the volatile components for further discriminant analysis. These results demonstrated that the MA-PDMS/ZIF-8@GO is an efficient, sensitive and small sample consumption method for the determination of the essential oil in dried plant materials.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF FOOD SCIENCE · 2021 ·Vol. 86 ·期 3 ·813-823 · IF 3.167

GC-MS analysis combined with sensory analysis revealed the various aroma characteristics of black tea resulted from different grafting rootstocks

Wei Chen,Dandan Qi,Wenwen Wang,Aiqing Miao,Chengying Ma

The study was aim to investigate the effects of grafting on volatile compounds and sensory quality of black tea. Seven groups of black tea were prepared from one nongrafted tea tree “Yinghong9 (YJ)” and six grafted tea trees by grafting scion of “YingHong9” on different rootstocks. Sensory analysis indicated marked/slight variations among seven samples, among which, the one grafting on HuangZhiXiangDanCong (HZX) stood out with floral and fruity aroma. The result of chemometrics analysis suggested various effects on compounds caused by different rootstocks. A total of 38 differential compounds were identified, showing mainly quantitative variations, with 36 being identified in all samples. The significant higher contents of volatiles, such as geraniol, phenylethyl alcohol, ( E )-nerolidol, decanal, and linalool oxides, in HZX compared with YJ were observed, which explained why floral and fruity aroma stood out among the whole aroma profile of HZX. Both results of sensory and instrumental analysis suggested certain correlation between compound variations and aroma characteristics. Moreover, different rootstocks influenced the aroma quality in different ways. Practical Application In conclusion, the study illuminates the various effects of grafting on the volatile compounds and aroma quality, which enlightens the possibility of changing aroma quality of black tea by grafting scions on different rootstocks. And thus, it can help guide the practical production when cultivating new varieties.

CAS / MDL: 100-52-7 31501-11-8
✓ 已验证 产品关联 DOI PubMed 高影响因子
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INTERNATIONAL JOURNAL OF MASS SPECTROMETRY · 2017 · IF 1.702

Insight into the shift and rearrangement of carbocation in Friedel-Crafts alkylation of unsaturated fatty acids revealed by GC–MS

Peng-Cheng Bian,Wen-Jie Xu,Hong-Ze Gang,Jin-Feng Liu,Bo-Zhong Mu,Shi-Zhong Yang

We observed that Friedel-Crafts alkylation of unsaturated fatty acids yielded diverse products because of the shift and rearrangement of carbocation. However, these shifts and rearrangement rules of carbocation in Friedel-Crafts alkylation were unclear. For a better understanding of these rules, the product diversity of Friedel-Crafts alkylation of oleic acid with phenyl was studied by GC–MS. The product structures were identified by the characteristic m / z obtained in electron impact ionization and the relative contents of diverse isomers were calculated by the normalization method of integration areas in extracted ion and total ion chromatograms. The results suggested there were 11 isomeric compounds, 7–17- phenyl stearic acids with relative contents ranging from 2.9% to 16.4%. The inhibition factor of the shift and rearrangement of carbocation was also being investigated. The carbocation was easily quenched by oxygen-containing compounds such as ester, ether, and alcohol. Intramolecular quenching stopped the carbocation shifting and inhibited 2–6- phenyl stearic acids formation. The study contributed to the understanding of the shift and rearrangement of carbocation, diversity of produced isomers and inhibitors in Friedel-Crafts alkylation of the unsaturated fatty acids, which were helpful in preparing and manufacturing relative unsaturated fatty acids by alkylation.

CAS / MDL: 7446-70-0
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CHROMATOGRAPHIA · 2014 ·Vol. 77 ·期 19 ·1379-1386 · IF 1.37

Characterization of Volatile Organic Metabolites in Lung Cancer Pleural Effusions by SPME–GC/MS Combined with an Untargeted Metabolomic Method

Liu Huijun,Li Caixia,Wang Hong,Huang Zhongping,Zhang Peipei,Pan Zaifa,Wang Lili

Headspace solid-phase microextraction and gas chromatography/mass spectrometry (HS-SPME–GC/MS) method combined with XCMS Online was tentatively applied to characterize the dysregulated volatile organic metabolites (VOMs) in benign and malignant pleural effusions. A total of 9 dysregulated feature groups were isolated from metabolic features in 35 pleural effusion samples (20 benign effusions and 15 malignant ones from lung cancer patients). Principle component analysis, partial least squares discriminant analysis (PLS-DA) and orthogonal PLS-DA were built to separate benign from malignant pleural effusion groups and to find dysregulated metabolites in significantly different amounts between the two groups. Four dysregulated VOMs such as 2-ethyl-1-hexanol, cyclohexanone, 1,2,4,5-tetramethylbenzene and naphthalene were selected according to the variable influence on the projection value. The concentration of the four dysregulated VOMs in benign and malignant effusions were further determined by external standard method. The median concentrations of 4 VOMs in malignant effusion samples were from 4.7 to 91,121.9 nM, whereas their median levels were only 1.9–318.3 nM in benign ones. The results show that the proposed SPME–GC/MS-based metabolomic approach combined with XCMS Online data processing is a simple, rapid and available method for the characterization of dysregulated VOMs in malignant and benign pleural effusions.

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FOOD CHEMISTRY · 2024 · IF 8.5

Differentiation of three commercial tuna species through GC-Q-TOF and UPLC-Q/Orbitrap mass spectrometry-based metabolomics and chemometrics

Lingping Hu,Yin Zhu,Hongwei Zhang,Xiaomei Zhang,Yujin Li,Qian Yao,Qiang Cai,Yaqin Hu

Food fraud is common in the tuna industry because of the economic benefits involved. Ensuring the authenticity of tuna species is crucial for protecting both consumers and tuna stocks. In this study, GC-Q-TOF and UPLC-Q/Orbitrap mass spectrometry-based metabolomics were used to investigate the metabolite profiles of three commercial tuna species (skipjack tuna, bigeye tuna and yellowfin tuna). A total of 22 and 77 metabolites were identified with high confidence using GC-Q-TOF and UPLC-Q/Orbitrap mass spectrometry , respectively. Further screening via chemometrics revealed that 38 metabolites could potentially serve as potential biomarkers. Hierarchical cluster analysis showed that the screened metabolite biomarkers successfully distinguished the three tested tuna species. Furthermore, a total of 27 metabolic pathways were identified through enrichment analysis based on the Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathways.

CAS / MDL: 103616-89-3 593-56-6
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

Investigation of the interaction between collagen and furan derivatives during the heating process via multidimensional spectroscopy and GC-MS technology

Kexin Li,Kexin Cheng,Huan Liu,Guanhua Cai,Yuan Wang,Yingying Zhang,Dasheng Xu,Dengyong Liu

The flavor retention plays a critical role in the presence of rich flavor profile of meat products. However, the interaction between collagen and furan derivatives has not been previously reported. In this study, the interaction between collagen and furan derivatives during heating was investigated using multidimensional spectroscopy and gas chromatography–mass spectrometry (GC–MS). The results revealed that the collagen structure was disrupted during the heating process, causing its depolymerization and an increase in the absolute value of zeta potential. The heating treatment induced a structural transformation in the collagen from large and ordered sheets to smaller and irregular aggregates. Meanwhile, the binding ability between collagen and furan derivatives was also significantly increased during the heating process due to the increased exposure of sulfhydryl groups and a rise in surface hydrophobicity. These findings will provide valuable insights into the retention of volatile compounds in the meat products.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

The characteristic VOCs of different parts of Artocarpus heterophyllus fruit based on HS-SPME-GC–MS and PTR-TOF-MS

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.

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

Unraveling the formation mechanism of aroma compounds in pork during air frying using UHPLC-HRMS and Orbitrap Exploris GC–MS

Jingyu Li,Yuping Zhang,Renyu Zhang,Rujie Yang,Qianli Ma,Zhongshuai Wang,Pi Li,Jiangtao Xing,Peng Gao,Huan Liu,Hansheng Gong

Lipids are the key matrix for the presence of odorants in meat products. The formation mechanism of odorants of air-fried (AF) pork at 230 °C was elucidated from the perspectives of lipids and heat transfer using physicochemical analyses and multidimensional statistics. Twenty-nine key aroma compounds were identified, with pyrazines predominantly contributing to the roasty aroma of air-fried roasted pork. Untargeted lipidomics revealed 1184 lipids in pork during roasting, with phosphatidylcholine (PC), phosphatidylethanolamine (PE), and triglyceride (TG) being the major lipids accounting for about 60 % of the total lipids. TG with C 18 acyl groups, such as TG 16:1_18:1_18:2 and TG 18:0_18:0_20:3, were particularly significant in forming the aroma of AF pork. The OPLS-DA model identified seven potential biomarkers that differentiate five roasting times, including PC 16:0_18:3 and 2-ethyl-3,5-dimethylpyrazine. Notably, a lower specific heat capacity and water activity accelerated heat transfer, promoting the formation and retention of odorants in AF pork.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2025 · IF 8.2

Optimization of deodorization process and flavor mechanism of raw and cooked salted kelp based on microbial fermentation and GC-IMS technology

Fangjie Cao,Xinyi Che,Xingyu Liu,Tingmei Yan,Yutong Li,Shu Liu,Yichao Ma,Dandan Ren,Hui Zhou,Qiukuan Wang,Yunhai He,Han Zhang

The fishy odor of salted kelp, mainly derived from halogenated hydrocarbons, sulfur-containing compounds, and free fatty acids, limits its sensory quality and market value. This study evaluated microbial deodorization using six food-grade strains— Pichia kluyveri, Saccharomyces cerevisiae, Wickerhamomyces anomalus, Lactiplantibacillus plantarum, Limosilactobacillus fermentum and Pediococcus pentosaceus —in single and co-fermentation systems. GC-IMS, relative odor activity values, and sensory evaluation identified 1-octen-3-one as the dominant off-odor compound. Fermentation significantly reduced 1-octen-3-one while increasing aroma-active volatiles such as isovaleraldehyde, isopentanol, and isopropyl propionate, likely through enzymatic degradation and microbial biosynthesis. Sensory analysis confirmed improvements in aroma and overall acceptability with minimal changes in color and texture. These findings clarify microbial modulation mechanisms of kelp flavor and support the development of value-added fermented kelp products.

研究领域: 食品科学与技术 · 微生物发酵 · 风味化学 · 分析化学 · 感官科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Journal of Essential Oil Bearing Plants · 2016 · IF 0.313

GC-MS Analysis of the Essential Oil and Insecticidal Activity of Teucrium quadrifarium Buch.-Ham. (Lamiaceae) Aerial Parts against Liposcelis bostrychophila

Xin Chao Liu,Shao Liang Liu,Zhi Long Liu

In our screening program for new agrochemicals from wild plants and Chinese medicinal herbs, Teucrium quadrifarium aerial parts at flowering stage was found to possess strong insecticidal activity against booklice (Liposcelis bostrychophila). Water-distilled essential oil from T. quadrifarium aerial parts was analyzed by gas chromatography-mass spectrometry (GC-MS). Fourty-seven components comprising 97.2 % of the total oil were identified and the main components of the essential oil were germacrene D (8.8 %), linalool (8.2 %), camphene (7.8 %), β-caryophyllene (7.3 %), β-cadinene (6.8 %), 1,8-cineole (6.5 %), 4-terpineol (5.8 %), and α-terpineol (5.1 %). The essential oil of T. quadrifarium possessed contact toxicity against L. bostrychophila with a LC50 value of 95.1 μg/cm2. The oil also showed fumigant toxicity against L. bostrychophila with a LC50 value of 222.0 μg/l. These findings suggested that the essential oil of T. quadrifarium aerial parts has potential to be developed as new natural insecticides for the control of grain storage insects.

研究领域: 植物化学 · 昆虫学 · 农业科学
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Food Analytical Methods · 2026 ·Vol. 19 ·期 2 ·78 · IF 3

Analysis of the Volatile Flavor Compounds in Extra Virgin Olive Oil from Major Producing Areas in China Using HS-GC-IMS

Zhang Xiaoyun,Xing Wenli,Zhang Wenwen,Bai Wanming,Ma Junyi,Zhang Ji,Kong Weibao

Volatile flavor compounds are key determinants of the sensory quality and consumer preference of olive oil, and their compositional profiles are significantly influenced by geographical origin. To elucidate the regional differences in volatile flavors, this study employed headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) combined with chemometrics to analyze oil samples from three major Chinese producing regions—Gansu, Yunnan, and Sichuan—as well as representative imported origins. A total of 56 volatile compounds were identified, including aldehydes, esters, alcohols, ketones, and terpenes. Fingerprint analysis revealed that terpenes were present at specifically high levels in some samples from Gansu, whereas alcohols and esters were more abundant in specific Sichuan samples and among the imported oils. Principal component analysis (PCA) showed limited overall separation among the regions, whereas partial least squares-discriminant analysis (PLS-DA) effectively discriminated samples from different geographical origins and identified 15 potential marker compounds with variable importance in projection (VIP) scores > 1. This study demonstrates that HS-GC-IMS coupled with chemometrics is an effective approach for screening volatile markers indicative of geographical origin, providing a potential research direction and data support for the traceability of olive oil.

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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES · 2018 · IF 2.441

Quantification of triacontanol and its PEGylated prodrug in rat plasma by GC–MS/MS: Application to a pre-clinical pharmacokinetic study

Xiaoyu Lu,Min Fang,Yu Dai,Yue Yang,Ali Fan,Jiaqiu Xu,Zhiying Qin,Yang Lu,Di Zhao,Xijing Chen,Ning Li

PEGylation techniques have been increasingly employed in drug delivery system and chemical modification of compounds with low aqueous solubility. Triacontanol (TA) is a natural product with several pharmacological activities, but its low aqueous solubility significantly limited its application. PEGylated triacontanol (PEG-TA) was designed as the prodrug to improve the aqueous solubility and pharmacokinetic properties of TA. On the basis of salting-out assisted liquid-liquid extraction (SALLE) and saponification sample preparation procedure, a reliable gas chromatography tandem mass spectrometric (GC–MS/MS) method was developed and validated for the quantification of PEG-TA and its metabolite TA in rat plasma after separation and transformation. Acetonitrile-methanol (9:1, v/v) and ammonium acetate (10 M) were utilized to separate PEG-TA and TA (including conjugated TA with fatty acid). Saponification facilitated the complete conversion of PEG-TA into TA, so PEG-TA could be indirectly quantified. The results revealed that the GC–MS/MS method had excellent selectivity, accuracy and linearity. Calibration curves were linear (R 2 >0.99) within the range of 20.0–1000.0 ng/mL for TA and 100.0–10,000.0 ng/mL for PEG-TA. The intra- and inter-day precision of quality control samples were within 15%, and their accuracy values varied from 93.54% to 113.38%. This analytical method has been successfully applied to pharmacokinetic study of PEG-TA. This study can facilitate the further exploration and quantification of PEGylated prodrugs.

研究领域: 药物化学 · 分析化学 · 药理学
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