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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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Food Chemistry-X · 2024 · IF 6.5

Analysis of volatile compounds in Xiangjiao baijiu from different storage containers and years based on HS-GC-IMS and DI-GC–MS

Bing Zhang,Siman Zheng,Mingquan Huang,Qiang Wu,Wei Dong,Jihong Wu,Hongqin Liu,Dongrui Zhao,Yougui Yu,Jinchen Li

The volatile compounds in 16 different storage containers and years of Xiangjiao Baijiu (XJBJ) were compared and analyzed via direct injection (DI) combined with gas chromatography–mass spectrometry (GC–MS) and headspace extraction (HS) coupled with gas chromatography-ion mobility spectrometry (HS-GC-IMS) for the first time. Through HS-GC-IMS analysis, it was found that the succession rules of 14 compounds such as furfural during aging process. A total of 60 compounds were identified using DI-GC–MS. Twenty-five of these compounds were further quantified, and 19 compounds had odor activity values (OAVs) > 1, which were important contributor to aroma of XJBJ. Among them, those with OAVs >1000 included ethyl hexanoate, ethyl octanoate, ethyl butanoate, and ethyl pentanoate. Combining the results of quantitative, OAVs and partial least squares-discriminant analysis (PLS-DA) revealed that 10 compounds such as ethyl octanoate were the important compounds that lead to the differences between different storage types of XJBJ.

CAS / MDL: 71-36-3
研究领域: 食品科学 · 分析化学
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PROPELLANTS EXPLOSIVES PYROTECHNICS · 2022 ·Vol. 48 ·期 2 ·e202200199 · IF 2.134

Indirect GC-MS Method via Alcoholysis Reaction for Rapid Detection of Organoaluminum Compounds and its Impurities: A Case Study of Triethylaluminium

Pengfei Su,Xiu-tian-feng E,Jingna Wang,Yanlong Zhu,Gao Zhang,Hai Chang,Ke Liu,Zihui Meng

Organoaluminum compounds have been employed as catalysts in many reactions. However, due to their high reactivity of the Al−C bond towards water or air, the accurate analysis and detection of organoaluminum compounds are still challenging. Here we demonstrate the possibility of rapidly and precisely detecting the purity and impurities of triethylaluminium (TEAL). An indirect GC-MS method via alcoholysis reaction using a designed alcoholysis reactor was adopted to detect and separate the main components and impurities of the synthesized TEAL. Previously, the nuclear magnetic resonance (NMR) and the inductively coupled plasma-mass spectrometer (ICP-MS) methods were also selected to detect the main compounds in the synthesized TEAL. The impurities in TEAL was identified as n-butyl aluminum, and the purity of synthesized TEAL is 97.47 % with high accuracy (ca. 99 %). This work suggests a new strategy to detect the purity and impurities of some kind of hazardous compounds.

CAS / MDL: 7446-70-0 2386-64-3
研究领域: 分析化学 · 催化化学
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2021 ·Vol. 413 ·期 23 ·5789-5798 · IF 4.157

Behavioral responses of Platycladus orientalis plant volatiles to Phloeosinus aubei by GC-MS and HS-GC-IMS for discrimination of different invasive severity

Zheng Chengyu,Zhou Qinan,Wang Zhenhe,Wang Jun

In recent years, the invasive cypress bark beetle ( Phloeosinus aubei ) has caused extensive damage to Platycladus orientalis plants in China, but its infestation is hard to monitor in the early stages. In this study, gas chromatography-mass spectrometry (GC-MS) was initially employed to investigate the volatile organic compound (VOC) emissions of P. aubei- infested P. orientalis saplings. The emissions of total sesquiterpenes were dominating (84−86% of total VOCs) and increased by 3.09-fold in P. aubei- damaged P. orientalis samples compared to undamaged samples, and the monoterpenes, aromatic compounds, and ketone emissions also had varying degrees of increase between 1.39-fold and 5.65-fold. Based on this variation, gas chromatography-ion mobility spectrometry (GC-IMS) was applied, as an untargeted analytical approach, to discriminate P. orientalis samples with different invasive severity. Two different features derived from GC-IMS data were adopted as the input information for classification and prediction models. Results showed that grid search support vector machine (GS-SVM) combined with multilinear principal component analysis (MPCA) based on spectral fingerprint achieved the best classification performances (> 88.98%), and partial least squares discriminant analysis (PLSR) method can accurately predict the pest numbers ( R 2 > 0.9423 and RMSE < 0.9827). In a word, the VOC profiling-based approach had the potential for evaluating P. aubei invasive severity and pest management.

研究领域: 植物学 · 昆虫学 · 分析化学
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2024 · IF 4

Characterization of key volatile flavor compounds in dried sausages by HS-SPME and SAFE, which combined with GC-MS, GC-O and OAV

Wang He,Zixuan Liu,Haoyue Liu,Jie Sun,Haitao Chen,Baoguo Sun

The flavor of three types dried sausage from Guangdong, Sichuan and Harbin were studied by headspace solid-phase microextraction (HS-SPME) and solvent-assisted flavor evaporation (SAFE) combined with gas chromatography-mass spectrometry (GC-MS), sensory evaluation combined with principal component analysis. The results showed that Harbin dried sausage had more prominent spicy flavor attributes, and the varieties and contents of flavor substances were more abundant. Then Harbin dried sausage was selected for further analysis. The flavor dilution factor of 37 aroma components was obtained by gas chromatography-olfactometry-mass spectrometry and aroma extract dilution analysis. 30 compounds were quantitated, and their odor activity values were calculated. The key aroma components were validated by using recombination and omission experiments. The omission experiment of 27 aroma compounds was carried out, and 10 compounds were finally determined as the key aroma active substance. The key aroma components of Harbin dried sausage included hexanoic acid, acetic acid, isovaleric acid, butyric acid , nonanal, acetoin, hydroxyacetone, ethyl hexanoate, eugenol, and p -cresol.

研究领域: 食品科学 · 分析化学
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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.

研究领域: 医学 · 分析化学 · 肿瘤学
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NEW JOURNAL OF CHEMISTRY · 2019 ·Vol. 43 ·期 9 ·3946-3955 · IF 3.069

Single particle ICP-MS and GC-MS provide a new insight into the formation mechanisms during the green synthesis of AgNPs

Huiling Zhang,Yuxiong Huang,Jianqiang Gu,Arturo Keller,Yuwei Qin,Yue Bian,Kun Tang,Xiaolei Qu,Rong Ji,Lijuan Zhao

Green synthesis of metallic nanoparticles (NPs) using plant extracts has received considerable attention due to its environmentally and economically friendly nature. Various metabolites in plants such as amino acids, organic acids, sugars and phenolic compounds have been speculated to be responsible for the synthesis of metallic NPs in previous studies. However, to date, there has been a lack of direct evidence linking specific metabolites to the reduction of metal ions to form metallic NPs. Here, AgNPs are synthesized using cucumber leaf extract and characterized by UV-visible spectroscopy, dynamic light scattering (DLS) and transmission electron spectroscopy (TEM). Single particle inductively coupled plasma mass spectrometry (sp-ICP-MS) was used to investigate the size of newly synthesized NPs as well as the kinetics of particle formation. Gas chromatography–mass spectrometry (GC-MS) based metabolomics identified and quantified 245 metabolites in cucumber leaf extracts. By comparing the concentrations of metabolites before and after the reaction, the metabolites responsible for the synthesis were screened out. Reducing sugars (cellobiose, ribulose-5-phosphate, melibiose, 2-deoxy-D-glucose, tagatose, fructose, ribose, 3,6-anhydro-D-galactose) were markedly decreased after the reaction, indicating that reducing sugars are involved in the biosynthesis process and possibly function as reducing agents. The key thermodynamic data of the reaction between Ag+ and reducing sugars were obtained by using isothermal titration calorimetry (ITC), which further confirmed the interaction between Ag+ and metabolites. This study provides a deep insight into the reaction process and mechanism of green synthesized AgNPs.

CAS / MDL: 1336-21-6
研究领域: 环境科学 · 纳米生物学
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Food Chemistry-X · 2024 · IF 6.5

The dynamic changes of flavor characteristics of sea cucumber (Apostichopus japonicus) during puffing revealed by GC–MS combined with HS-GC-IMS

Xiaoqing Miao,Shuang Li,Yang Liu,Jing Li,Xiuping Dong,Ming Du,Pengfei Jiang

To improve the ease of eating sea cucumbers, we investigated the impact of puffing temperature (190 °C - 250 °C) and time (1–5 min) on their quality and flavor. As temperature and time increased, sea cucumber puffing significantly enhanced. The microstructure of the puffed sea cucumber exhibited a uniform porous structure at 230 °C for 4 min. However, further puffing treatment caused the void to collapse. A total of 81 volatile organic compounds (VOCs) were identified using HS-GC-IMS, and 18 VOCs with Relative odor activity value (ROAV) ≥1 were identified. The content of fishy compounds, such as dimethyl sulfide, 1-octanal, and 1-nonanal in sea cucumbers gradually decreased with increasing temperature and time. Combined with GC–MS analysis indicating that the flavor of sea cucumbers puffed at 250 °C for 5 min was superior. Our findings suggest new avenues for sea cucumber processing and address the limited research on puffing techniques for protein-based raw materials.

研究领域: 食品科学 · 分析化学 · 海洋生物学
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2025 · IF 3.8

Comprehensive characterization of sulfur compounds in the diesel fraction using methylation/demethylation derived separation and GC × GC–MS/FID analysis

Li Yifei,Su Yanfei,Chen Zhengyu,Wu Jianxun,Zhang Weilai,Xu Chunming,Shi Quan,Zhang Linzhou

Comprehensive characterization of petroleum-derived sulfur compounds is crucial for researching and developing desulfurization catalysts, equipment, and processes. However, the complex composition and low concentration of sulfur compounds in oils make it challenging for molecular-level separation and characterization. In this work, sulfur compounds in the straight-run diesel fraction were selectively separated from the oil by the methylation/demethylation method, effectively yielding high-purity thiophenes and sulfides. Molecular-level compositional and structural characterization of sulfur compounds was accomplished through comprehensive two-dimensional gas chromatography (GC × GC) coupled with time-of-flight mass spectrometry. The separation significantly enhances the detection sensitivity for low-content sulfur compounds, thereby enabling a more comprehensive characterization of their molecular compositions and structures. Sulfur compounds with diverse skeletons and carbon numbers were tentatively characterized, including 1~3 cyclic sulfides, thiophenes, benzothiophenes, dihydrobenzothiophenes, dibenzothiophenes, tetrahydrodibenzothiophenes, phenanthrothiophenes, and benzonaphthothiophenes. Additionally, hundreds of individual sulfur compounds were characterized by mass spectrometry. Quantitative analysis for individual compounds and compound types was conducted using a flame ionization detector. Graphical

研究领域: 化学工程 · 石油化学 · 分析化学
✓ 已验证 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
研究领域: 有机化学 · 分析化学
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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
研究领域: 食品科学 · 植物学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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CyTA-Journal of Food · 2022 · IF 2.478

Profiling of volatile and non-volatile compounds in Dianhong by a combined approach of static headspace GC-MS and UPLC-MS

Yanzhi Sun,Yingjie Fu,Rirong Chen,Yipeng Zhang,Tougen Liao,Hui Xi,Shihao Sun,Zhihong Cheng

The systematic identification of volatile organic compounds (VOCs) and non-VOCs will facilitate understanding the characteristic aroma and bioactive constituents of Dianhong. This article reported for the first time the volatile and non-volatile composition profiles of Dianhong from four main producing areas. A combined total of 42 VOCs were identified from four Dianhong samples by static headspace GC-MS. Thirteen VOCs were found to be important common components contributing to the characteristic aroma of Dianhong. The non-VOCs of Dianhong were evaluated by UPLC-ESI-MS, and Dianhong samples from four producing areas shared almost the same component profiles. Thirty-four components including derivatives of quinic acid, gallic acid, and catechin, flavone C-glycosides, flavonol O-glycosides, and alkaloids were characterized. Finally, catechin, gallic acid, 5-O-galloylquininc acid, and theobromine were characterized as the main non-VOCs in Dianhong. Dianhong samples from four main producing areas showed similar VOCs and non-VOCs profiles under our optimized GC-MS and LC-MS conditions.

研究领域: 食品科学 · 分析化学 · 植物学
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