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SCIENTIA HORTICULTURAE · 2024 · IF 3.9

Comprehensive assessment of fragrance profiles in peony flowers through HS-GC-IMS and metabolic pathway analysis

Yanhua Pan,Yini Ma,Jiadong He,Lu Zhang,Rong Huang,Ling Tang,Jiaxuan Ren,Weicheng Wang,Muriel Quinet,Yu Meng

This study addresses the identification and comparison of volatile organic compounds (VOCs) in different peony varieties to elucidate their distinct aroma profiles and the common VOCs that constitute the unique fragrance of peony flowers, laying a foundation for breeding high-quality peony varieties and developing related products. Headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) combined with principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA) was employed to analyze and differentiate the VOCs of eight peony varieties: TAOXI, ZIHELIAN, BAITIANE, YAOHUANG, DAFUGUI, DAOJIN, HONGXIUQIU, and MANAOPAN. The study identified 87 VOCs, revealing significant differences in VOC compositions among the samples. Notably, BAITIANE displayed distinct differences in both color and VOC composition compared to the other seven varieties. It exhibited uniquely high levels of butanoic acid-M, butanoic acid-D, hexanal-D, ethanol-D, and ethyl acetate. Twelve key differential VOCs were identified as having significant impacts: ethanol-D, hexanal-D, (e)-2-hexenal-D, (e)-2-hexenal-M, hexanal-M, butanoic acid-M, acetic acid-D, acetic acid-M, butanoic acid-D, ethyl acetate, thiophene, and dimethyl sulfide. KEGG pathway analysis highlighted the roles of xenobiotics biodegradation, terpenoid metabolism, and amino acid metabolism in VOC biosynthesis. The findings are significant for the breeding of fragrant peony varieties and the development of floral-based products. The findings provide theoretical support for breeding new horticultural flower varieties and developing commercial peony products, enhancing the understanding of floral scent chemistry, and offering valuable information for the perfumery, floral food processing, and related industries.

研究领域: 植物学 · 香味化学 · 植物育种 · 香料工业 · 食品加工
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FOOD CHEMISTRY · 2020 · IF 6.306

HPLC-DAD fingerprints combined with chemometric techniques for the authentication of plucking seasons of Laoshan green tea

Tian-Qin Peng,Xiao-Li Yin,Hui-Wen Gu,Weiqing Sun,Baomiao Ding,Xian-Chun Hu,Li-An Ma,Shu-Dong Wei,Zhi Liu,Shi-Yi Ye

Laoshan green teas plucked in summer and autumn were measured by high performance liquid chromatography-diode array detector (HPLC-DAD). After baseline correction, the fingerprints data were resolved by multivariate curve resolution-alternating least squares (MCR-ALS) and a total of 57 components were acquired. Relative concentrations of these components were afterwards applied to distinguish plucking seasons using principal component analysis (PCA), support vector machines (SVM) and partial least squares-discriminant analysis (PLS-DA). For both SVM and PLS-DA models, the total recognition rates of training set, cross-validation and testing set were 100%, 91.3% and 100%, respectively. Besides, three variable selection methods were employed to determine characteristic components for the authentication of summer and autumn teas. Results showed that PLS-DA model based on three characteristic components selected by VIP possesses identical predictive ability as the original model. This study demonstrated that our proposed strategy is competent for the authentication of plucking seasons of Laoshan green tea.

研究领域: 分析化学 · 食品科学 · 化学计量学
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MOLECULES · 2019 ·Vol. 24 ·期 7 ·1440 · IF 3.06

Comparative Analysis of Carbohydrates, Nucleosides and Amino Acids in Different Parts of Trichosanthes kirilowii Maxim. by (Ultra) High-Performance Liquid Chromatography Coupled with Tandem Mass Spectrometry and Evaporative Light Scattering Detector Methods

Huang-qin Zhang,Pei Liu,Jin-ao Duan,Ling Dong,Er-xin Shang,Da-wei Qian,Zhen-hua Zhu,Hui-wei Li,Wei-wen Li

Trichosanthes kirilowiiMaxim. is one of the original plants for traditional Chinese medicines Trichosanthis Fructus, Trichosanthis Semen, Trichosanthis Pericarpium and Trichosanthis Radix. Amino acids, nucleosides and carbohydrates are usually considered to have nutritional value and health-care efficacy. In this study, methods involving high-performance liquid chromatography coupled with evaporative light scattering detector (HPLC-ELSD), UV-visible spectrophotometry and ultra-high-performance liquid chromatography coupled with tandem mass spectrometry (UHPLC-MS/MS) were established for quantifying carbohydrates (fructose, glucose, stachyose, raffinose and polysaccharide), fourteen nucleosides and twenty one amino acids. Moreover, sixty-three samples from nine different parts, including pericarp, seed, fruit pulp, stem, leaf, main root, main root bark, lateral root and lateral root bark ofT. kirilowiifrom different cultivated varieties were examined. The established methods were validated with good linearity, precision, repeatability, stability, and recovery. The results showed that the average content of total amino acids in roots (15.39 mg/g) and root barks (16.38 mg/g) were relatively higher than for others. Contents of nucleosides in all parts ofT. kirilowiiwere below 1.5 mg/g. For carbohydrates, fruit pulp has a higher content than others for glucose (22.91%), fructose (20.63%) and polysaccharides (27.29%). By using partial least-squared discriminate analysis (PLS-DA), Variable importance in the projection (VIP) plots and analysis of variance (ANOVA) analysis, the characteristic components of the different organs (fruit, stems and leaves, roots) were found. This analysis suggested there were potential medicinal and nutritive health care values in various parts of theT. kirilowii, which provided valuable information for the development and utilization ofT. kirilowii.Keywords:Trichosanthes kirilowiiMaxim;different parts;carbohydrate;nucleosides;amino acids;resource utilization

CAS / MDL: 890-38-0
研究领域: 生药学 · 分析化学 · 中药学
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Food Bioscience · 2024 · IF 4.8

Characterizing the key aroma compounds of barley malt from different origins using GC-E-Nose, HS-SPME-GC-MS, and HS-GC-IMS

Mingtao Ma,Ziqiang Chen,Bing Huang,Xingguang Chen,Hua Liu,Zhengcong Peng,Peilin Dong,Jian Lu,Dianhui Wu

The origin of malt is a crucial factor influencing malt flavor. In this study, the volatile compounds of barley malt from four different producing areas were comprehensively characterized by gas chromatography electronic nose (GC-E-Nose), gas chromatography-mass spectrometry (GC-MS), and gas chromatography ion mobility spectrometry (GC-IMS). GC-E-Nose analysis revealed significant differences in volatile flavor compounds among malt samples from different origins. GC-MS identified 71 volatile compounds, with aldehydes being the most abundant in all four samples. GC-IMS identified 50 volatile compounds, and obtained the most abundant aldehydes included butyraldehyde, 3-methyl-2-butyraldehyde. etc not detected by GC-MS. The combination of GC-MS data with odor activity value (OAV) analysis identified 24 flavor compounds as key aroma compounds (OAV ≥1). Partial least squares discriminant analysis (PLS-DA) model combined with one-way analysis of variance (ANOVA) was used to screen out seven volatile markers: 1-penten-3-ol, decanal, ethyl butyrate, ethyl acetate, ethyl isovalerate, isoamyl acetate, and dimethyl sulfide. The integration of these techniques provided a better characterization of flavor compounds and their differences in malt from different origins. The results provided theoretical guidance for the factory to improve malt flavor quality.

CAS / MDL: 123-96-6
研究领域: 食品科学 · 分析化学 · 农学
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FOOD RESEARCH INTERNATIONAL · 2024 · IF 7

Revealing the characteristic aroma and boundary compositions of five pig breeds based on HS-SPME/GC-O-MS, aroma recombination and omission experiments

Xueli Chen,Haoyue Liu,Cong Li,Yujuan Xu,Baocai Xu

To clarify the characteristic aroma compounds and flavor discrepancies of five Chinese typical pig species, headspace-solid phase microextraction gas chromatography–olfactometry-mass spectrometry (HS-SPME/GC-O-MS), electronic nose (E-nose), aroma recombination and omission experiments were used to analyze the characteristic aroma and boundary of five boiled pork. A total of 38 volatile compounds were identified, of which 14 were identified as important odorants with odor-activity values (OAVs) greater than 1. Aroma recombination and omission experiments revealed 8 key characteristic aroma compounds, which significantly contributed to the overall aroma. Sensory evaluation of the recombination model with the 8 aroma compounds scored 3.0 to 4.0 out of 5 points. 12 potential markers were identified to distinguish by principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA), including (E)-2-octenal, 3-ethyl-2-methyl-1,3-hexadiene, (E)-2-heptenal, 2-pentylfuran, cyclooctanol, 1-heptanol, sec -butylamine, D-limonene, N-vinylformamide, 2,3-octanedione, 2-ethylfuran and 3-pentanamine. Alongside benzaldehyde and pentanal, the combinations and fluctuations of these 14 aroma markers were proposed to constitute the aroma boundaries of different pork breeds. The aroma-active substances were able to effectively differentiate different breeds.

研究领域: 食品科学 · 分析化学 · 农学 · 感官科学
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FOOD CONTROL · 2022 · IF 6.652

Identification of sea bass freshness grades using laser-induced breakdown spectroscopy coupled with multivariable analysis

Zilin Yue,Hong Lin,Xiu Fang,Ye Tian,Wenqian Yan,Jiayi Yao,Xiaohui Chen,Kaiqiang Wang

Rapid detection of marine fish freshness is of great importance, as aquatic products are susceptible to spoilage during storage. In this work, for the first time, the laser induced breakdown spectroscopy (LIBS) coupled with multivariable analysis was used for the rapid identification of the freshness of sea bass ( Lateolabrax japonicus ) without using of organic solvents. Results suggested that the principal component analysis (PCA) could accurately differentiate the sea bass samples stored for different days, and the three freshness grades (first-grade, second-grade, and spoilage) of sea bass were separately clustered together. The overall classification accuracy of partial least squares-discriminant analysis (PLS-DA) reached 91.50% ± 1.49% and 97.33% ± 1.90% for differentiating sea bass samples stored for different days, and authenticating different freshness grades, respectively. As storage period increased, the degradation of high-molecular-weight proteins and micromorphology changes were observed in fish muscles using SDS-PAGE and SEM, respectively. In addition, the laser energy absorbed by sea bass increased with the longer storage periods, as shown by the plasma temperature and plasma electron density. The present study demonstrated the capability of LIBS combined with chemometrics for the rapid and eco-friendly identification of marine fish freshness in the food supply chain.

研究领域: 食品科学 · 分析化学 · 光谱学 · 海洋生物学
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FOOD CHEMISTRY · 2021 · IF 7.514

LC-MS/MS-based metabolomics and sensory evaluation characterize metabolites and texture of normal and spoiled dry-cured hams

Renyong Liao,Qiang Xia,Changyu Zhou,Fang Geng,Ying Wang,Yangying Sun,Jun He,Daodong Pan,Jinxuan Cao

The spoiled dry-cured ham commonly shows unpleasant taste and odour. To deepen the understanding in the formation mechanism of unpleasant taste in spoiled ham, sensory attributes, texture parameters, protein degradation, metabolites were investigated between normal and spoiled hams; the relationship between the sensory quality and metabolites of dry-cured ham was further evaluated by partial least square discriminant analysis (PLS-DA). The scores of richness and overall acceptance were significantly lower in spoiled ham, and more than 12.5-fold values in adhesiveness were found in spoiled ham than normal ham. Myofibrillar proteins including actin, troponin-T and myosin light chain showed excessive degradation in spoiled ham. Forty-two kinds of metabolites mainly derived from protein degradation were identified by LC-MS/MS, and amino acid derivatives and oligopeptides were the key components to distinguish spoiled and normal hams demonstrated by PLS-DA. Purine metabolism, pyrimidine metabolism and protein degradation were the main metabolism pathways in spoiled ham.

CAS / MDL: 60-00-4 7558-80-7
研究领域: 食品科学 · 分析化学 · 代谢组学 · 感官科学
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Foods · 2024 ·Vol. 13 ·期 6 ·865 · IF 4.7

Evaluation of Chongqing Tuo Tea at Different Grades: An Integrated Approach by Artificial and Intelligent Sensory, Non-Volatile, and Volatile Compounds Analysis

Yiwen Miao,Lilei Wang,Fei Bai,Shuting Zheng,Jingna Yan,Hao Wei,Qing Meng,Huarong Tong

This study aims to investigate the relationship between the grades of Tuo tea and the quality of compounds. A combination of artificial sensory evaluation, intelligent sensory technologies (electronic nose and electronic tongue), gas chromatography–mass spectrometry (GC-MS), high-performance liquid chromatography (HPLC), chemical–physical analysis, and multivariate statistical analysis were employed to examine the differences among three grades of Tuo tea (SG, 1G, and 2G). The results of artificial sensory evaluation, electronic tongue, and electronic nose revealed that the aroma and taste of different grades of Tuo tea varied greatly. A total of 112 volatile compounds and 44 non-volatile compounds were identified. In order to elucidate the key components that cause differences in the quality of Tuo tea, 2 partial least squares discriminant analysis (PLS-DA) models with excellent parameters (volatile, R2Y = 0.999 and Q2= 0.996; non-volatile, R2Y = 0.992 and Q2= 0.972) were established. A total of 80 key differential volatile compounds were identified with the double selection criterion of variable importance in projection (VIP) greater than 1 andp< 0.05. Among these, 43 compounds with OAV > 1 were further identified as the odor-active compounds in all three grades of Tuo. Moreover, 22 key non-volatile compounds that contribute to the quality differences have been screened out. This investigation implied that the volatile and non-volatile compounds of Tuo tea could serve as indicators of its quality. The results provided a new approach to distinguish the grades of Tuo tea.

CAS / MDL: 64-19-7 110-38-3
研究领域: 食品科学 · 分析化学 · 感官科学 · 农业化学
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