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Heliyon · 2024 · IF 3.4

Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef

Yimeng Ren,Longzhu Zhou,Yujie Shi,Yanan Yu,Weihai Xing,Qingyu Zhao,Junmin Zhang,Yueyu Bai,Jing Li,Chaohua Tang

Beef flavor profiles are strongly influenced by cooking methods and lipid composition. However, the effect of instant-boiling on the aroma of different beef slices was unclear. This study investigated the lipid profiles and instant-boiling volatile profiles of chuck tender (M. Supraspinatus ), sirloin (M. Longissimus dorsi ) and silverside (M. Biceps femoris ). Quantitative lipidomics identified 336 lipid molecular species, of which 84–112 were quantitatively different among the three beef slices. Sirloin had lower phosphatidylcholine, phosphatidylinositol, phosphatidylglycerol and free fatty acids than chuck tender and silverside. The unsaturated fatty acid acyl chains in phosphatidylethanolamine differed significantly. Solid phase microextraction-gas chromatography-olfactometry-mass spectrometry (SPME-GC-O-MS) identified hexanal, octanal, nonanal, decanal, (E)-2-octenal, (E)-2-nonenal, (E)-2-undecenal, (E,E)-2,4-nonadienal, (E,E)-2,4-decadienal, 1-octen-3-ol, 2-pentylfuran and acetoin as the aroma-active compounds of instant-boiled beef. Unsaturated free fatty acids and phosphatidylglycerols with unsaturated fatty acid residues positively correlated with the aroma-active compounds and might be crucial in flavor differences among the three beef slices. These findings provide greater understanding of the lipid and instant-boiling aroma-active compound profiles in chuck tender, sirloin and silverside, and reflect the suitability of different beef slices for instant-boiling from the aroma perspective.

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PHYTOCHEMICAL ANALYSIS · 2024 · IF 3

A strategy to distinguish similar traditional Chinese medicines by liquid chromatography–mass spectrometry, electronic senses, and gas chromatography–ion mobility spectrometry: Marsdeniae tenacissimae Caulis and Paederiae scandens Caulis as examples

Jia-Wei Wang,Zhi-Dong Pei,Yue-Hua Chen,Si-Yu Li,Tian-Min Wang,Ting-Guo Kang,Na Li,Ya-Mei Song,Hui-Peng Song,Hui Zhang

Introduction Marsdeniae tenacissimae Caulis (MTC), a popular traditional Chinese medicine, has been widely used in the treatment of tumor diseases. Paederiae scandens Caulis (PSC), which is similar in appearance to MTC, is a common counterfeit product. It is difficult for traditional methods to effectively distinguish between MTC and PSC. Therefore, there is an urgent need for a rapid and accurate method to identify MTC and PSC. Objectives The aim is to distinguish between MTC and PSC by analyzing the differences in nonvolatile organic compounds (NVOCs), taste, odor, and volatile organic compounds (VOCs). Methods Liquid chromatography–mass spectrometry (LC-MS) was utilized to analyze the NVOCs of MTC and PSC. Electronic tongue (E-tongue) and electronic nose (E-nose) were used to analyze their taste and odor respectively. Gas chromatography–ion mobility spectrometry (GC-IMS) was applied to analyze VOCs. Finally, multivariate statistical analyses were conducted to further investigate the differences between MTC and PSC, including principal component analysis, orthogonal partial least squares discriminant analysis, discriminant factor analysis, and soft independent modeling of class analysis. Results The results of this study indicate that the integrated strategy of LC-MS, E-tongue, E-nose, GC-IMS, and multivariate statistical analysis can be effectively applied to distinguish between MTC and PSC. Using LC-MS, 25 NVOCs were identified in MTC, while 18 NVOCs were identified in PSC. The major compounds in MTC are steroids, while the major compounds in PSC are iridoid glycosides. Similarly, the distinct taste difference between MTC and PSC was precisely revealed by the E-tongue. Specifically, the pronounced bitterness in PSC was proven to stem from iridoid glycosides, whereas the bitterness evident in MTC was intimately tied to steroids. The E-nose detected eight odor components in MTC and six in PSC, respectively. The subsequent statistical analysis uncovered notable differences in their odor profiles. GC-IMS provided a visual representation of the differences in VOCs between MTC and PSC. The results indicated a relatively high relative content of 82 VOCs in MTC, contrasted with 32 VOCs exhibiting a similarly high relative content in PSC. Conclusion In this study, for the first time, the combined use of LC-MS, E-tongue, E-nose, GC-IMS, and multivariate statistical analysis has proven to be an effective method for distinguishing between MTC and PSC from multiple perspectives. This approach provides a valuable reference for the identification of other visually similar traditional Chinese medicines.

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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2024 · IF 5.7

Antipathogenic Activities of Volatile Organic Compounds Produced by Bacillus velezensis LT1 against Sclerotium rolfsii LC1, the Pathogen of Southern Blight in Coptis chinensis

Tao Tang,Fanfan Wang,Houyun Huang,Nengneng Xie,Jie Guo,Xiaoliang Guo,Yuanyuan Duan,Xiaoyue Wang,Qingfang Wang,Jingmao You

This study explores the antipathogenic properties of volatile organic compounds (VOCs) produced by Bacillus velezensis LT1, isolated from the rhizosphere soil of Coptis chinensis. The impact of these VOCs on the mycelial growth of Sclerotium rolfsii LC1, the causative agent of southern blight in C. chinensis, was evaluated using a double Petri-dish assay. The biocontrol efficacy of these VOCs was further assessed through leaf inoculation and pot experiments. Antifungal VOCs were collected using headspace solid-phase microextraction (SPME), and their components were identified via gas chromatography–mass spectrometry (GC–MS). The results revealed that the VOCs significantly inhibited the mycelial growth and sclerotia germination of S. rolfsii LC1 and disrupted the morphological integrity of fungal mycelia. Under the influence of these VOCs, genes associated with chitin synthesis were upregulated, while those related to cell wall degrading enzymes were downregulated. Notably, 2-dodecanone and 2-undecanone exhibited inhibition rates of 81.67% and 80.08%, respectively. This research provides a novel approach for the prevention and management of southern blight in C. chinensis, highlighting the potential of microbial VOCs in biocontrol strategies.

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FOOD CHEMISTRY · 2025 · IF 9.8

Oxidation of aquatic products from the inside out accelerates their deterioration: A case study of sea bass (Lateolabrax japonicus) during storage

Xinyang Li,Taiyu Li,Jixiang Zhang,Xiaoguo Ying,Shanggui Deng,Gengsheng Xiao,Soottawat Benjakul,Charles Brennan,Lukai Ma

Sea bass ( Lateolabrax japonicus ) is favored by consumers, but the oxidation of visceral lipids during refrigeration has not been studied. This research investigates the effect of visceral lipid oxidation on storage quality. The results show that visceral lipids oxidize first, leading to a 1.72, 2.36, and 2.04-fold increase in malondialdehyde, 4-hydroxy-2-nonenal, and 4-hydroxy-2-hexenal levels, respectively. The total free radicals, alkoxy radicals, and hydrogen radicals increased by 18.13 %, 18.17 %, and 9.87 %, respectively. Visceral lipid oxidation damages myofibrillar proteins, reducing sulfhydryl content by 18.11 %. The viscera also promote protein oxidation, particularly of actin. Volatile component and electronic nose analyses revealed significant odor deterioration due to lipid oxidation and protein degradation. Molecular docking confirms that 4-hydroxy-2-nonenal binds to 15 amino acids in β-actin. Therefore, spoilage occurs from the inside out, and viscera should be removed before freezing.

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PLANT PHYSIOLOGY AND BIOCHEMISTRY · 2024 · IF 6.1

Papiliotrema flavescens, a plant growth-promoting fungus, alters root system architecture and induces systemic resistance through its volatile organic compounds in Arabidopsis

Siyue Liu,Jinge Xie,Wenqi Luan,Chen Liu,Xiwen Chen,Defu Chen

The current trend in agricultural development is the establishment of sustainable agricultural systems. This involves utilizing and implementing eco-friendly biofertilizers and biocontrol agents as alternatives to conventional fertilizers and pesticides. A plant growth-promoting fungal strain, that could alter root system architecture and promote the growth of Arabidopsis seedlings in a non-contact manner by releasing volatile organic compounds (VOCs) was isolated in this study. 26S rDNA sequencing revealed that the strain was a yeast-like fungus, Papiliotrema flavescens . Analysis of plant growth-promoting traits revealed that the fungus could produce indole-3-acetic acid and ammonia and fix nitrogen. Transcriptome analysis in combination with inhibitor experiments revealed that P . flavescens VOCs triggered metabolic alterations, promoted auxin accumulation and distribution in the roots, and coordinated ethylene signaling, thus inhibiting primary root elongation and inducing lateral root formation in Arabidopsis . Additionally, transcriptome analysis and fungal infection experiments confirmed that pretreatment with P . flavescens stimulated the defense response of Arabidopsis to boost its resistance to the pathogenic fungus Botrytis cinerea . Solid-phase microextraction, which was followed by gas chromatography-mass spectrometry analysis, identified three VOCs (acetoin, naphthalene and indole) with significant plant growth-promoting attributes. Their roles were confirmed using further pharmacological experiments and upregulated expression of auxin- and ethylene-related genes. Our study serves as an essential reference for utilizing P . flavescens as a potential biological fertilizer and biocontrol agent.

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POSTHARVEST BIOLOGY AND TECHNOLOGY · 2025 · IF 6.8

Unravelling the inhibition mechanism of 1-octene-3-ol combined with 3-heptene-2-one on Aspergillus flavus and its application in the preservation of wolfberries

Lijun Ling,Rongxiu Mo,Wenyue Zhang,Yijuan Jiang,Fanjin Kong,Lijun Feng,Yao Li,Rui Yue,Yongpeng Zhou

The antifungal activity of six microbial-derived volatile organic compounds (VOCs) [ 3-hepten-2-one (Hep), cis-3-octen-1-ol, 3-methylvalerate, isovalerate, 1-octen-3-ol (Oct), and 2-methylbutyrate] against Aspergillus flavus was investigated by determining the minimum inhibitory concentration (MIC) and the fractional inhibitory concentration index (FICI). The results demonstrated that all 15 binary combinations of the VOCs presented additive effects against A. flavus . Among them, the combination of Hep and Oct, refers to C OH , with concentrations of 2 μL L −1 and 2.5 μL L −1 , respectively, displayed the most potent antifungal effect with the lowest concentration, in contrast to the individual MIC of Hep or Oct, which were reduced to 1/8 and 1/2. C OH can induce membrane lipid peroxidation, enhance cell membrane permeability, and cause leakage of nucleic acids and proteins within the cell, and 1-octen-3-ol might play a leading role. Finally, applying C OH at a concentration of 1/2 MIC Oct + 1/4 MIC Hep could effectively restrain the spread of A. flavus on wolfberries and exhibit excellent preservation effects. This study validates the antifungal effect of C OH and may serve as a natural alternative to antimicrobial agents for post-harvest agricultural products.

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Plants-Basel · 2025 ·Vol. 14 ·期 5 ·708 · IF 4.1

Uncovering the Differences in Flavour Volatiles from Hybrid and Conventional Foxtail Millet Varieties Based on Gas Chromatography–Ion Migration Spectrometry and Chemometrics

Zhongxiao Yue,Ruidong Zhang,Naihong Feng,Xiangyang Yuan

The flavour of foxtail millet (Setaria italica(L.) P. Beauv.) is an important indicator for evaluating the quality of the millet. The volatile components in steamed millet porridge samples were analysed using electronic nose (E-Nose) and gas chromatography–ion mobility spectrometry (GC-IMS) techniques, and characteristic volatile fingerprints were constructed to clarify the differences in the main flavour substances in different foxtail millet varieties (two hybrids and two conventional foxtail millets). After sensory evaluation by judges, Jingu 21 (JG) scored significantly higher than the other varieties, and the others were, in order, Jinmiao K1 (JM), Changzagu 466 (CZ) and Zhangzagu 3 (ZZ). E-Nose analysis showed differences in sulphides and terpenoids, nitrogen oxides, organosulphides and aromatic compounds in different varieties of millet porridge. A total of 59 volatile components were determined by GC-IMS in the four varieties of millet porridge, including 23 aldehydes, 17 alcohols, 9 ketones, 4 esters, 2 acids, 3 furans and 1 pyrazine. Comparative analyses of the volatile components in JG, JM, ZZ and CZ revealed that the contents of octanal, nonanal and 3-methyl-2-butenal were higher in JG; the contents of trans-2-butenal, 2-methyl-1-propanol, trans-2-heptenal and trans-2-pentenal were higher in JM; and the contents of 2-octanone, hexanol, 1-octen-3-ol, 2-pentanone and butyraldehyde were higher in ZZ. The contents of 2-butanol, propionic acid and acetic acid were higher in CZ. A prediction model with good stability was established by orthogonal partial least squares discriminant analysis (OPLS-DA), and 25 potential characteristic markers (VIP > 1) were screened out from 59 volatile organic compounds (VOCs). These volatile components can be used to distinguish the different varieties of millet porridge samples. Moreover, we found conventional foxtail millet contained more aldehydes than the hybridised foxtail millet; especially decanal, 1-nonanal-D, heptanal-D, 1-octanal-M, 1-octanal-D and 1-nonanal-M were significantly higher in JG than in the other varieties. These results indicate that the E-Nose combined with GC-IMS can be used to characterise the flavour volatiles of different foxtail millet, and the results of this study may provide some information for future understanding of the aroma characteristics of foxtail millet and the genetic improvement of hybrid grains.

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MICROCHEMICAL JOURNAL · 2024 · IF 4.9

Volatile fingerprint and multivariate odor evaluation of gasification slag and natural coal resources using gas chromatography–ion mobility spectrometry and gas chromatography–mass spectrometry characterization

Wenhui Lu,Mingshuo Zhu,Chunli Ding,Xuebo Li,Junchao Ma,Yinghua Qi,Mengshuo Guo

Natural coal can be produced via desulfurization, decarbonization, and other processes under appropriate pressure and temperature conditions, enabling it to react with gasification agents and produce gas. Fine slag and coarse slag are both by-products of the entrained-flow gasifier and may contain a large amount of carbonaceous residue. To explore the optimization of the gasification process, coal upgrading, and adulteration identification, qualitative and semi-quantitative characterizations of the volatile organic components in gasification slag and natural coals were carried out using Gas chromatography–ion mobility spectrometry (GC–IMS) and gas chromatography–mass spectrometry (GC–MS). Fingerprint spectra were generated to illustrate the volatile differences and specificities. A total of 51 kinds of volatiles were analyzed using a rapid and non-destructive detection method under ambient conditions by GC–IMS method. GC–MS, acting as a supplementary identification method, detected a total of 40 volatile compounds, among which alkanes were in the majority. Characteristic markers were explored to achieve the accurate differentiation of volatiles from natural coal and gasification slag samples. Multivariate analyses, including heatmap, hierarchical cluster analysis (HCA), principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA), and orthogonal partial least squares discrimination analysis (OPLS-DA), were conducted to discriminate the odor of natural coal and gasification slag samples. This study deepens the understanding of volatile distribution and lays the foundation for the development of gasification technology and adulteration monitoring.

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Analytical Methods · 2025 · IF 2.6

Deciphering the differences in aroma components of tobacco from different origins based on HS-GC-IMS and multivariate statistical analysis

Suxuan Li,Ningyang Mao,Cong Chen,Hui Zhao,Xiaoyu Chen,Liusheng Wang,Fuyun Cui,Wenning Feng,Zhiyong Wu

This study employed headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) technology combined with multivariate statistical analysis methods to analyze the flavor compounds in flue-cured tobacco from five different regions in China: Henan, Hunan, Yunnan, Chongqing, and Fujian. A total of 98 volatile aroma compounds were identified through HS-GC-IMS analysis, including esters, ketones, aldehydes, acids, alcohols, heterocyclic compounds, sulfur-containing compounds, other types of compounds, and 8 uncharacterized compounds. Principal Component Analysis (PCA) and Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA) were utilized to conduct dimensionality reduction and distinguish the samples, effectively recognizing differences in volatile compounds among tobacco leaves from various origins. A Random Forest (RF) classification model was constructed, and its reliability was validated through ROC (Receiver Operating Characteristic) analysis, achieving an AUC (Area Under the Curve) value of 0.980, which demonstrates exceptional predictive performance. PCA revealed distinct separations of tobacco leaf samples from different regions on the PCA score plot, and OPLS-DA analysis further validated these differences and confirmed the model's validity through permutation testing. Twenty key aroma compounds with VIP > 1.0 were screened by integrating OPLS-DA with the Random Forest classification model. These compounds showed significant differences in content among different samples, suggesting their potential as chemical markers for distinguishing the origin of flue-cured tobacco. This study not only provides a new method for identifying volatile compounds in tobacco but also offers novel insights into the geographical identification of flue-cured tobacco.

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Frontiers in Plant Science · 2025 · IF 4.8

Biosynthesis-based metabolomics analysis reveals chemical diversity between two Salvia species

Feiyan Wang,Chenyi Li,Haizheng Yu,Dongfeng Yang,Ji Ye,Lei Zhang

Salvia officinalis is an important dietary supplement that is widely used as a flavor regulator and plays an important role in the prevention and treatment of neurodegenerative diseases. Salvia miltiorrhiza Bunge is a famous Chinese herbal medicine for treating cardiovascular diseases. Secondary metabolites with diverse structures endow the two species with various edible and medicinal values. However, the differences in secondary metabolites between the leaves of S. officinalis and S. miltiorrhiza are still unclear. Herein, FlavourSpec® combined with spatial metabolomics was used to explore the distribution patterns of secondary metabolites including volatile and non-volatile components. The results indicated that the chemical compositions of the two Salvia species were significantly different. Specifically, S. miltiorrhiza Bunge contained high levels of phenolic acid components with a furan ring that can hardly be detected in S. officinalis. The volatile small molecules as well as carnosic acid and its derivatives were found to be major components of S. officinalis leaves. Because of the long-term exposure of leaves to ultraviolet radiation and the same environmental stress, carnosic acid and its derivatives exhibit widespread distribution characteristics in S. officinalis leaves. The work explored the similarities and differences in secondary metabolites of S. officinalis and S. miltiorrhiza Bunge, providing not only the material basis to develop the application value in dietary nutrition, but also a theoretical foundation for the development and utilization of medicinal resources of Salvia.

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Food Chemistry-X · 2025 · IF 8.2

Investigation of rose-honey aroma formation during tea infusion fermentation by Pantoea camelliae Z09 through GC–MS and GC-IMS

Yanxia Xie,Zixi Yang,Yuanmin Zhu,Xuemin Chen,Mengjie Lei,Xiaodi Jin,Wenwen Jin,Chunhua Fu,Longjiang Yu

Tea aroma critically influences consumer preference. Pantoea camelliae Z09, isolated from Yunnan sun-dried green tea, enhances the rose-honey aroma of fermented tea infusion. This study investigated aroma formation during liquid-state fermentation using GC–MS, GC-IMS, and molecular docking. GC–MS and GC-IMS identified 223 and 74 volatile organic compounds (VOCs), respectively, including alcohols, ketones, and esters. Six key aroma-active compounds were identified via relative odor activity value (ROAV), while orthogonal partial least squares discriminant analysis (OPLS-DA) revealed 49 differential VOCs driving aroma evolution. By integrating ROAV, OPLS-DA, abundance analysis, and molecular docking, 29 major VOCs were linked to the rose-honey profile, with phenylethyl alcohol as the dominant contributor. Their binding to olfactory receptors involved noncovalent interaction. A flavor wheel was constructed to visualize the aroma profile. This study is the first to elucidate how bacteria influence the aroma of tea infusion through liquid-state fermentation, offering insights for the development of specialty tea products.

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MICROCHEMICAL JOURNAL · 2025 · IF 5.1

Headspace gas chromatography-ion mobility spectrometry for rapid and accurate authentication of Panax notoginseng powder: Identifying adulteration with wheat flour, corn starch, and yellow dextrin

Jinyi Li,Zhixiong Kang,Zhongbo Li,Guangqing Cui

The global demand for Panax notoginseng powder has surged greatly because of its pharmacological efficacy. However, an escalation in adulteration practices has raised substantial concerns. We aimed to establish a headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) method for detecting adulteration in P. notoginseng . Pure P. notoginseng powder was mixed with wheat flour, corn starch, and yellow dextrin at 10 %, 20 %, 40 %, 60 %, and 80 % ( w/w ). HS-GC-IMS showed minimal visual divergence between P. notoginseng powders adulterated with low levels of wheat flour (10 %, 20 %, and 40 %) and those with different ratios of cornstarch or yellow dextrin. Ninety-five volatile compounds were detected in the 19 samples, including aldehydes, alcohols, ketones, esters, acids, terpenes, heterocycles, nitrides, and sulfides. Principal component analysis based on the signal intensity of the volatile compounds effectively discriminated pure P. notoginseng from adulterated samples ( R 2  > 0.94, Q 2  > 0.91). Propanoic acid, acetic acid, methyl acetate, butyl acetate, ethyl acetate, 1-heptanol, 3-methyl-1-butanol, octanal, (E)-2-heptenal, pentanal, benzaldehyde, furfural, citronellal, 2-propenal, 2-decanone, acetone, 3-hydroxy-2-butanone, and pinene were identified as volatile markers for P. notoginseng authentication. Partial least squares discriminant analysis confirmed the reliability of the results ( R 2 of X-axis > 0.65, R 2 of Y-axis > 0.994, and Q 2  > 0.984). In conclusion, HS-GC-IMS is a valuable tool for the rapid, accurate, and simple determination of P. notoginseng adulteration.

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