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Food Chemistry-X · 2022 · IF 6.443

Assessment of the ‘taro-like’ aroma of pumpkin fruit (Cucurbita moschata D.) via E-nose, GC–MS and GC-O analysis

LI Junxing,Miao Aiqing,ZHAO Gangjun,Liu Xiaoxi,Wu Haibin,Luo Jianning,Gong Hao,Zheng Xiaoming,Deng Liting,Ma Chengying

‘Taro-like’ aroma is a pleasant flavor and value-added trait in pumpkin species imparted by unknown key volatile compounds. In this study, we used the electronic nose (E-nose), gas chromatography-mass spectrometry (GC–MS), and GC-Olfactometry (GC-O) to study the aroma profile, volatile compounds, and key   contributors, respectively. By E-nose and GC–MS, we found significant differences in the aroma profiles and volatile compounds between fruits from five samples with/without ‘taro-like’ aroma. According to the analysis of differential volatile compounds obtained from GC–MS and the GC-O analysis of the sample with ‘taro-like’ aroma, we found that 2-acetyl-1-pyrroline representing the ‘taro’ odor was only identified in the sample with ‘taro-like’ aroma. Therefore, we conclude that 2-acetyl-1-pyrroline is the key contributor to the 'taro-like' aroma. Moreover, the relationship between 2-acetyl-1-pyrroline and ‘taro-like’ aroma was further verified via other pumpkin samples. Our results provide a theoretical basis for understanding the aroma characteristics of pumpkin fruit.

CAS / MDL: 100-51-6 100-52-7
研究领域: 植物学 · 食品科学 · 分析化学
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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
研究领域: 食品科学 · 分析化学 · 植物学
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Biomass Conversion and Biorefinery · 2021 ·Vol. 13 ·期 13 ·11789-11802 · IF 4.987

Research of the two-step pyrolysis of lignocellulosic biomass based on the cross-coupling of components by Py-GC/MS

Zhang Liqiang,Liu Jiaojiao,Zhang Zexia,Yang Zhengda,Wang Xinwei,Li Dawei,Lin Riyi

Two-step pyrolysis (TSP) of cellulose, hemicellulose, and lignin; the three-component cross-coupling samples; and the acid-washed walnut shell (AWS) were carried out by a pyrolysis–gas chromatography/mass spectrometry (Py-GC/MS) to investigate the effects of components and their proportions on the TSP of biomass. The results showed that different components dominated the formation of different products. Cellulose generated more furans and carbohydrates in both the first (S1) and second steps (S2). Hemicellulose achieved higher selectivity of ketones, acids, and alcohols in S1, and higher selectivity of hydrocarbons in S2. Lignin mainly produced phenols in S1, and hydrocarbons and phenols in S2. The increase of holocellulose (hemicellulose and cellulose) improved the contents of aldehydes, ketones, furans, acids, and alcohols but reduced the content of phenols in S1. In S2, more holocellulose increased the contents of aldehydes, ketones, and acids, but decreased the contents of phenols, hydrocarbons, and alcohols. The generation of carbohydrates was strongly inhibited in S1 by hemicellulose and lignin. More cellulose improved the contents of aldehydes, acids, and furans in S1, and increased the content of ketones but reduced the content of acids in S2. Hemicellulose facilitated the generation of hydrocarbons, but inhabited the produce of carbohydrates in S2. The small amount of the low-content components (protein, alkali and alkaline earth metals, etc.) and the connection structure of the components resulted in the significant difference in the pyrolysis reactions and product distribution of AWS and the mixed sample with corresponding component proportion. Therefore, more influence factors, such as the low-content components, the connection structure of the components, and different pyrolysis conditions, should be considered in the near future to investigate the interactions on the two or more components in TSP.

研究领域: 能源与环境科学 · 分析化学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2024 · IF 3.1

A GC×GC-MS method based on solid-state modulator for non-targeted metabolomics: Comparison with traditional GC-MS method

Yueyi Zhang,Haihui Ren,Xiao Tang,Qiaorong Liu,Wen Xiao,Zunjian Zhang,Yuan Tian

The formidable challenge posed by the presence of extremely high amounts of compounds and large differences in concentrations in plasma significantly complicates non-targeted metabolomics analyses. In this study, a comprehensive two-dimensional gas chromatography-quadrupole mass spectrometry (GC×GC-qMS) method with a solid-state modulator (SSM) for non-targeted metabolomics in beagle plasma was first established based on a GC-MS method, and the qualitative and quantitative performance of the two platforms were compared. Identification of detected compounds was accomplished utilizing NIST database match scores, retention indices (RIs) and standards. Semi-quantification involved the calculation of peak area ratios to internal standards. Metabolite identification sheets were generated for plasma samples on both analytical platforms, featuring 22 representative metabolites chosen for validating qualitative accuracy, and for conducting comparisons of linearity, accuracy, precision, and sensitivity. The outcomes revealed a threefold increase in the number of identifiable metabolites on the GC×GC-MS platform, with lower limits of quantitation (LLOQs) reduced to 0.5–0.05 times those achieved on the GC-MS platform. Accuracy in quantification for both GC×GC-MS and GC-MS fell within the range of 85–115%, and the vast majority of intra- and inter-day precisions were within the range of 20%. These findings underscore that relative to the conventional GC-MS method, the GC×GC-MS method developed in this study, combined with SSM, exhibits enhanced qualitative capabilities, heightened sensitivity, and comparable accuracy and precision, rendering it more suitable for non-targeted metabolomics analyses.

CAS / MDL: 75-77-4
研究领域: 分析化学 · 代谢组学 · 药学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Frontiers in Molecular Biosciences · 2024 · IF 3.9

Applying GC-MS based serum metabolomic profiling to characterize two traditional Chinese medicine subtypes of diabetic foot gangrene

Feng Jiawei,Wang Yuqing,Xiang Shengmin,Luo Yun,Xu Yongcheng,Wang Yuzhen,Cao Yemin,Zhou Mingmei,Zhao Cheng

Traditional Chinese medicine (TCM) has a long history and particular advantages in the diagnosis and treatment of diabetic foot gangrene (DFG). Patients with DFG are mainly divided into two subtypes, tendon lesion with edema (GT) and ischemic lesion without edema (GI), which are suitable for different medical strategies. Metabolomics has special significance in unravelling the complexities of multifactorial and multisystemic disorders. This study acquired the serum metabolomic profiles of two traditional Chinese medicine subtypes of DFG to explore potential molecular evidence for subtype characterization, which may contribute to the personalized treatment of DFG. A total of 70 participants were recruited, including 20 with DM and 50 with DFG (20 with GI and 30 with GT). Conventional gas chromatography-mass spectrometry (GC-MS) followed by orthogonal partial least-squares discriminant analysis (OPLS-DA) were used as untargeted metabolomics approaches to explore the serum metabolomic profiles. Kyoto encyclopedia of genes and genomes (KEGG) and MetaboAnalyst were used to identify the related metabolic pathways. Compared with DM patients, the levels of 14 metabolites were altered in the DFG group, which were also belonged to the differential metabolites of GI (13) and GT (7) subtypes, respectively. Among these, urea, α-D-mannose, cadaverine, glutamine, L-asparagine, D-gluconic acid, and indole could be regarded as specific potential metabolic markers for GI, as well as L-leucine for GT. In the GI subtype, D-gluconic acid and L-asparagine are positively correlated with activated partial thromboplastin time (APTT) and fibrinogen (FIB). In the GT subtype, L-leucine is positively correlated with the inflammatory marker C-reactive protein (CRP). Arginine and proline metabolism, glycine, serine and threonine metabolism, phenylalanine, tyrosine and tryptophan biosynthesis are the most important metabolic pathways associated with GI. The main metabolic pathways related to GT include pyrimidine metabolism, glutathione metabolism, biosynthesis of valine, leucine, and isoleucine, as well as valine, serine, and isoleucine with metabolites. The results of this study indicate that patients with different DFG subtypes have distinct metabolic profiles, which reflect the pathological characteristics of each subtype respectively. These findings will help us explore therapeutic targets for DFG and develop precise treatment strategies.

CAS / MDL: 506-12-7
研究领域: 医学 · 代谢组学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Current Pharmaceutical Analysis · 2023 ·Vol. 19 ·期 4 ·330-344 · IF 0.6

Analysis of Organic Components in Various Butyl Rubber Closures and their Compatibility Study with Cefamandole Nafate by HPLC/GC-MS

Xu Bingyong,Gao Jiarui,Tang Kaixian,Zhang Fengmei,Liu Shan,Su Weike,Wang Jian

Background: To control the quality of various butyl rubber closures and assess their applicability to cefamandole nafate, HPLC/ GC-MS methods were developed to qualitatively and quantitatively analyze the organic components in various types of butyl rubber closures and drug powder of cefamandole nafate for injection, and migration of these components from rubber closures to drug also were studied. Materials and Methods: The chemical components in the rubber closures and corresponding drug were identified by GC-MS in full scan mode and NIST mass library. A GC-MS method in SIM mode was established to quantitatively analyze siloxane compounds, aromatic hydrocarbons and saturated chain-hydrocarbons in rubber closures and drugs. An HPLC method was established to quantitatively analyze antioxidants and sulfides from rubber closures and drugs. The turbidity values of powder for injection were measured by a turbidimeter. Further, the correlation between the content of organic components in the drug and the clarity of the solution was analyzed. Results: It was found that the chemical components were released from butyl rubber closures and migrated to the drug, which influenced solution clarity of cefamandole nafate for injection and was the main factor to cause solution turbidity of powder for injection. The gradual migration of components occurred over time with the use of common butyl rubber closures, but the coated butyl rubber closures (rubber plated with membrane) were coated with a polytetrafluoroethylene film to block the contact between rubber closures and the drug, and could effectively prevent the migration of the components from rubber closures to drugs. The organic components in the butyl rubber closures were mainly identified as siloxanes, saturated chain-hydrocarbons, and antioxidants. An unknown ingredient was identified as 1-piperidinecarboxaldehyde, and trace amounts of toxic toluene were also detected within limits. Conclusion: It is suggested that rubber plated with membrane or rubber closures of high quality were applicable to cefamandole nafate for injection and should be used in its production. HPLC/ GC-MS methods can be used as an effective method for quality control of butyl rubber closures and compatibility research with drugs to ensure drug safety for the public.

研究领域: 药学 · 分析化学
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FOOD RESEARCH INTERNATIONAL · 2019 · IF 3.579

SPME-GC-MS & metal oxide E-Nose 18 sensors to validate the possible interactions between bio-active terpenes and egg yolk volatiles

Mostafa Gouda,Meihu Ma,Long Sheng,Xiaole Xiang

This study was focused on the differences between three concentrations of four safe bio-active volatile terpenes and natural compounds (trans-cinnamaldehyde, thymol, menthol, and vanillin) on the egg yolk volatile components. In which, Headspace Solid phase Micro Extraction (HS-SPME) followed by GC/MS were used for volatiles analysis, and electronic nose (E-Nose) with 18 sensors was used for the aroma pattern. In the results, a total of 111 different volatile compounds were identified by using GC/MS. Some ketones, amines, nitro and organic acid compounds such as hexanone were significantly reduced after using these compounds. On the other hand, first principal components (PC1) of trans-cinnamaldehyde (0.1%) was decreased significantly ( p  < .05) to −4.8 ± 0.8, compared to the control with 4.3 ± 2.1. And, it increased benzaldehyde and nonanal peaks area significantly to 46.56 ± 14.46 and 9.22 ± 4.81 MPA. In menthol (0.1%), the content of d-limonene was decreased to 4.65 ± 0.49 MPA, compared to the control with 14.16 ± 4.95 MPA. On the other hand, by E-Nose, vanillin (0.1%) PC1 was decreased significantly to −4.48 ± 0.43. Moreover, thymol (0.1%) decreased hydrocarbon sensation to 0.448 ± 0.005. And, vanillin (0.1%) decreased hydrogen sulfide and ketones sensation to 0.169 ± 0.01 and 0.344 ± 0.01, respectively. In conclusion, this study is providing novel information to understand the effects of bio-active molecules on the biological fatty media volatility. Also, it explains how terpenes can protect egg yolk media from the unacceptable odor formation which results from the degradation of its lipids and proteins.

CAS / MDL: 14371-10-9
研究领域: 食品科学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2023 · IF 6.1

Characterization of volatile metabolites in Pu-erh teas with different storage years by combining GC-E-Nose, GC–MS, and GC-IMS

Yuting Rong,Jialing Xie,Haibo Yuan,Lilei Wang,Fuqiao Liu,Yuliang Deng,Yongwen Jiang,Yanqin Yang

Storage time is one of the important factors affecting the aroma quality of Pu-erh tea. In this study, the dynamic changes of volatile profiles of Pu-erh teas stored for different years were investigated by combining gas chromatography electronic nose (GC-E-Nose), gas chromatography-mass spectrometry (GC–MS), and gas chromatography-ion mobility spectrometry (GC-IMS). GC-E-Nose combined with partial least squares-discriminant analysis (PLS-DA) realized the rapid discrimination of Pu-erh tea with different storage time (R 2 Y = 0.992, Q 2  = 0.968). There were 43 and 91 volatile compounds identified by GC–MS and GC-IMS, respectively. A satisfactory discrimination (R 2 Y = 0.991, and Q 2  = 0.966) was achieved by using PLS-DA based on the volatile fingerprints of GC-IMS. Moreover, according to the multivariate analysis of VIP > 1.2 and univariate analysis of p  < 0.05, 9 volatile components such as linalool and (E)-2-hexenal were selected as key variables to distinguish Pu-erh teas with different storage years. The results provide theoretical support for the quality control of Pu-erh tea.

CAS / MDL: 110-38-3
研究领域: 食品科学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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LEUKEMIA RESEARCH · 2021 · IF 3.156

Serum metabolomic profiling based on GC/MS helped to discriminate Diffuse Large B-cell Lymphoma patients with different prognosis

Mi Mi,Zijian Liu,Xin Zheng,Qiuyue Wen,Fang Zhu,Juan Li,Ishanee Devi Mungur,Liling Zhang

Background The varied clinical outcomes of patients with Diffuse Large B Cell Lymphoma (DLBCL) are attributed to the different genetic and phenotypic subtypes. The purpose of this study was to determine whether metabolic alterations were related to cell-of-origin subtypes of DLBCL and find some metabolites which are associated with the clinical outcomes. Methods Pre-treatment serum samples from eighty (80) newly diagnosed DLBCL patients, including twenty-eight (28) patients with Germinal Center B cell-like (GCB) subtypes and fifty-two (52) patients with non-GCB subtypes, were tested by the Gas Chromatography-Mass Spectrometry (GC–MS) technique. Univariate and multivariate analysis methods, principal component analysis (PCA), and partial least square discriminant analysis (PLS-DA) were conducted to examine the potential differential metabolites. Overall survival (OS) was calculated. Results Overall, 65 out of 1472 entities were identified for subsequent analysis. Unfortunately, the initial PLS-DA analysis failed to discriminate GCB from non-GCB samples. Intriguingly, further PLS-DA analysis identified two subgroups of DLBCL (named as group A and group B) and the metabolic subgroups were significantly associated with overall survival. Valine, hexadecenoic acid, and pyroglutamic acid were identified and verified as the most important altered metabolites and could be candidate biomarkers for the prognosis of DLBCL. Conclusions Our results demonstrated that metabolic alterations in serum could be helpful to predict different clinical outcomes of DLBCL patients. Further studies are warranted to understand whether the altered metabolites might serve as prognostic factors for DLBCL.

CAS / MDL: 593-56-6
研究领域: 肿瘤学 · 代谢组学 · 医学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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EUROPEAN FOOD RESEARCH AND TECHNOLOGY · 2020 ·Vol. 246 ·期 10 ·2065-2077 · IF 2.366

Determination of furan and its derivatives in preserved dried fruits and roasted nuts marketed in China using an optimized HS-SPME GC/MS method

Batool Zahra,Li Lin,Xu Dan,Wu Ming,Weng Longmei,Jiao Wenjuan,Cheng Hao,Roobab Umme,Zhang Xia,Li Xiaoxi,Liang Yi,Li Bing

Furan, which has been identified as possibly carcinogenic for humans, can be induced to different food items by thermal treatment. In accordance with the previous studies and risks associated with prevalence of furan in food, it is necessary to be acknowledged of amounts of furan formed in different thermally processed foods for human awareness. In this study, Headspace Solid-Phase Microextraction Gas Chromatography–Mass Spectrometry (HS-SPME-GC/MS) was optimized for simultaneous determination of furan, furfural, 2-methylfuran and 2-pentylfuran for the first time from different dried fruits and roasted nuts. The method was proved to be valid for determination of all analytes at 50 °C for 25 min, stirring at 700 rpm and 20% NaCl (W/V) using 50/30 μm divinlybenzene/carboxen/polysimethylsiloxane (DVB/CAR/PDMS) fibre. All analytes were baseline-separated at HP 5-MS column in less than 13 min and obtained results have shown prevalence of furan, furfural and 2-pentylfuran in the studied matrices; however, 2-pentylfuran was more prevalent in the roasted nuts than dried fruits and 2-methylfuran has not shown considerable prevalence in both matrices. Moreover, this method was validated in terms of linearity, precision, recovery, specificity, limit of detection and limit of quantification depending on analytes and sample matrices. Hence, the present method was proved to be highly sensitive, specific and robust with good precision and accuracy and suitable for monitoring these furan derivatives in the studied matrices.

研究领域: 食品安全 · 分析化学
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Food Analytical Methods · 2016 ·Vol. 10 ·期 4 ·931-942 · IF 2.167

Reducing the Influence of the Thermally Induced Reactions on the Determination of Aroma-Active Compounds in Soy Sauce Using SDE and GC-MS/O

Feng Yunzi,Cai Yu,Sun-Waterhouse Dongxiao,Fu Xiong,Su Guowan,Zhao Mouming

A method based on simultaneous distillation extraction (SDE) coupled with gas chromatography–mass spectrometry/olfactometry (GC-MS/O) was developed for the analysis of volatile profiles in soy sauce. Its optimum operating conditions were as follows: 100 mL soy sauce plus 100 mL saturated brine; 2 h extraction using 50 mL dichloromethane. Eighty-eight volatile compounds were identified. Of these, 26 aroma-active compounds were detected by GC-O including 3-(methylthio)propanal, 2-methoxy-4-vinylphenol, 2-methoxyphenol, 2-methylbutanoic acid, 2,3-butanedione, phenylacetaldehyde, 2-ethyl-6-methylpyrazine, 3-methylbutanal, 2-methylbutanal, 3-methyl-1-butanol, and 2-methyl-1-butanol (which occurred at a high odor intensity in both high-salt liquid-state fermentation soy sauce (HLFSS) and low-salt solid-state fermentation soy sauce (LSFSS). SDE analysis of the odorless soy sauce indicated 12 volatiles (mainly Strecker aldehydes and α-dicarbonyl compounds). Thus, the proportions of these compounds (1.94–54.07 %) shown in previous GC-MS results could result from thermal degradation of non-volatile compounds in soy sauce. Especially, the contribution of 3-methylbutanal, 2-methylbutanal, phenylacetaldehyde, 3-(methylthio)propanal, and 2,3-butanedione to the aroma of soy sauce could be overestimated by conventional SDE-GC-O. With a full consideration of such limitations, this study will improve the application of SDE on aroma analysis of complex food matrix.

研究领域: 食品科学 · 分析化学
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Bioresources and Bioprocessing · 2025 ·Vol. 12 ·期 1 ·1-16 · IF 5.1

Characterization of Qu-aroma of medium–high temperature Daqu from different production areas using sensory evaluation, E-nose, and GC–MS/O analysis

Deng Jie,Zheng Jia,Li Xing,Huang Dan,Ye Guangbin,Luo Huibo

Qu -aroma is a critical quality indicator for medium–high temperature Daqu (MT- Daqu ). Due to the differences in regional and environmental conditions, these differences are likely to cause variations in the Qu -aroma of MT- Daqu . Despite this, comprehensive research on the variations in Qu -aroma across different regions has been lacking. This study aims to address this gap to analyze the differences in Qu -aroma characteristics of MT- Daqu from seven distinct production areas. Sensory analysis identified seven broad aroma categories and 25 specific aromas characterizing the Qu -aroma of MT- Daqu samples. Chen aroma and roasted aroma were notably more prevalent in MT- Daqu samples from Sichuan compared to those from other regions ( P  <  0.05 ). In total, 123 volatile compounds were detected in MT- Daqu , with 42 classified as aroma-active compounds. Among these, 21 aroma-active compounds were identified as markers distinguishing Sichuan MT- Daqu from those produced in non-Sichuan regions, showing significant differences in their concentrations ( P  <  0.05 ). Additionally, six major aroma-active compounds were found to significantly contribute to the aroma differences between Sichuan and non-Sichuan MT- Daqu . This study delineates the distinct Qu -aroma characteristics of MT- Daqu from various SAB production areas. The insights gained from this research offer valuable guidance for optimizing flavor profiles in MT- Daqu production. Graphical

研究领域: 食品科学 · 微生物学 · 分析化学
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