HS-GC-IMS

HS - GC - IMS
  • 文章类型: Journal Article
    全球化和工业化进程导致煤炭和其他相关产品被盗现象上升,从而成为法医学的焦点。这种情况导致了对有效检测和监测技术的需求升级。煤炭痕量证据的精确识别对当前方法提出了挑战,由于它的微小数量,质地细腻,和复杂的组成。在这项研究中,我们将机器学习与挥发物识别相结合,通过应用顶空-气相色谱-离子迁移谱(HS-GC-IMS)来准确区分煤的地理来源。直观地描绘了煤中挥发物的地形分布,以通过光谱和指纹分析阐明细微的区别。此外,开发了四种有监督的机器学习算法,利用HS-GC-IMS数据集定量预测天然煤的地理来源,随后将这些与无监督模型进行比较。通过定量分析和优化随机森林模型,鉴定出显著的挥发性化合物,它提供了快速读数,并在煤炭识别中实现了100%的平均准确性。我们的研究结果表明,HS-GC-IMS和机器学习的集成有望提高煤炭地理可追溯性的效率和准确性。从而为诉讼和审判提供基础。
    The process of globalization and industrialization has resulted in a rise in the theft of coal and other related products, thereby becoming a focal point for forensic science. This situation has engendered an escalated demand for effective detection and monitoring technologies. The precise identification of coal trace evidence presents a challenge with current methods, owing to its minute quantity, fine texture, and intricate composition. In this study, we integrated machine learning with the identification of volatiles to accurately differentiate coal geographical origins through the application of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS). The topographic distribution of volatiles in coals was visually depicted to elucidate the subtle distinctions through spectra and fingerprint analysis. Additionally, four supervised machine learning algorithms were developed to quantitatively predict the geographical origins of natural coals utilizing the HS-GC-IMS dataset, and these were subsequently compared with unsupervised models. Remarkable volatile compounds were identified through the quantitative analysis and optimal Random Forest model, which offered a rapid readout and achieved an average accuracy of 100 % in coal identification. Our findings indicate that the integration of HS-GC-IMS and machine learning is anticipated to enhance the efficiency and accuracy of coal geographical traceability, thereby providing a foundation for litigation and trials.
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  • 文章类型: Journal Article
    为了提高吃海参的便利性,我们研究了膨化温度(190°C-250°C)和时间(1-5分钟)对其质量和风味的影响。随着温度和时间的增加,海参膨化明显增强。膨化海参的微观结构在230°C下保持4分钟表现出均匀的多孔结构。然而,进一步的膨化处理导致空隙塌陷。使用HS-GC-IMS共鉴定出81种挥发性有机化合物(VOCs),鉴定出18种相对气味活性值(ROAV)≥1的挥发性有机化合物。鱼腥味化合物的含量,如二甲基硫醚,1-octanal,随着温度和时间的增加,海参中的1-nonanal逐渐降低。结合GC-MS分析,表明在250°C膨化5分钟的海参风味优良。我们的发现为海参加工提供了新的途径,并解决了对基于蛋白质的原料的膨化技术的有限研究。
    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.
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  • 文章类型: Journal Article
    六种香料的挥发性有机化合物,包括黑胡椒,干姜,肉桂,茴香,丁香,还有花椒,采用气相色谱-离子迁移谱(HS-GC-IMS)结合主成分分析(PCA)和欧氏距离进行分析。在进一步的分析中,在3-硝基苯磺酸诱导的斑马鱼模型中,测定了六种香料中挥发油对溃疡性结肠炎的影响。共检测出120种挥发性有机物,鉴定出80种,其中包括10种常见成分和3至24种属于不同香料的特征成分。6种香料中挥发性有机化合物主要为萜烯类,含量为45.02%,56.87%,36.68%,58.19%,68.68%,和30.62%,分别。同时,茴香的挥发性成分,干姜,黑胡椒,和肉桂非常相似,但不同于丁香和花椒。六种香料中的挥发油具有改善溃疡性结肠炎的有效活性,可以减少中性粒细胞的数量,恢复肠上皮的结构和上皮细胞的形态。我们的研究对六种香料中的挥发性有机化合物和香料进行了快速分析,并进一步揭示了其挥发油对溃疡性结肠炎的潜在健康益处。尤其是丁香和花椒.本研究有望为六种香料的质量评价及其在功能性食品中的潜在应用提供一定的数据支持。
    The volatile organic compounds of six spices, including black pepper, dried ginger, cinnamon, fennel, clove, and zanthoxylum, were analyzed by gas chromatography-ion mobility spectrometry (HS-GC-IMS) combined with principal component analysis (PCA) and Euclidean distance. In further analyses, the effects of volatile oils in six spices on ulcerative colitis were assayed in a zebrafish model induced by 3-nitrobenzenesulfonic acid. A total of 120 kinds of volatile organic compounds were detected and 80 among them were identified, which included 10 common components and 3 to 24 characteristic components belonging to different spices. The major VOCs in six spices were estimated to be terpenes with the contents of 45.02%, 56.87%, 36.68%, 58.19%, 68.68%, and 30.62%, respectively. Meanwhile, the volatile components of fennel, dried ginger, black pepper, and cinnamon are quite similar, but differ from clove and zanthoxylum. The volatile oils in six spices presented efficient activity to improve ulcerative colitis which can decrease the number of neutrophils, restore the structure of intestinal epithelial and the morphology of the epithelial cells. Our study achieved rapid analysis of the volatile organic compounds and flavors in six spices and further revealed the potential health benefits of their volatile oils on ulcerative colitis, especially for clove and zanthoxylum. This study is expected to provide certain data support for the quality evaluation and the potential use in functional foods of six spices.
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  • 文章类型: Journal Article
    本研究使用顶空气相色谱-离子迁移谱(HS-GC-IMS)结合气相色谱-嗅觉测定-四极杆飞行时间质谱(GC-O-QTOF/MS),全面表征了来自不同来源的不同品种豆瓣之间的风味差异。使用HS-GC-IMS共鉴定出91种挥发性有机化合物(VOCs),使用GC-O-QTOF/MS鉴定出70种VOCs,主要包括酸,醛类,酯和醇。此外,使用相对气味活性值(ROAV)在五种douchi物种中筛选了23种关键的香气呈现化合物,并且在五种douchi物种中对香气贡献最大的香气化合物各不相同。GC-IMS和GC-O-QTOF/MS结果的比较分析产生13种通过两种技术检测的VOC。非肛门,己醛,桉树脑,1-octen-3-ol,乙酸异戊酯,使用这两种方法,2-戊基呋喃被确定为douchi物种中的关键VOCs。这些发现将为探索不同地理来源的douchi的风味差异提供更深入的见解。
    The present study comprehensively characterized the flavor differences between different varieties of douchis from different origins using headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) coupled with gas chromatography-olfactometry-quadrupole time-of-flight mass spectrometry (GC-O-QTOF/MS). A total of 91 volatile organic compounds (VOCs) were identified using HS-GC-IMS and 70 VOCs were identified using GC-O-QTOF/MS, mainly including acids, aldehydes, esters and alcohols. Additionally, 23 key aroma-presenting compounds were screened in five douchi species using relative odor activity value (ROAV) and the aroma compounds that contributed the most to the aroma varied among the five douchi species. Comparative analysis of the GC-IMS and GC-O-QTOF/ MS results yielded 13 VOCs that were detected by both techniques. Nonanal, hexanal, eucalyptol, 1-octen-3-ol, isoamyl acetate, and 2-pentylfuran were identified as key VOCs in the douchi species using both methods. These findings will provide deeper insights for exploring flavor differences in douchi from different geographic sources.
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  • 文章类型: Journal Article
    本研究调查了微波再加热(MR)的影响,沸腾再加热(BR),和蒸汽再加热(SR)对陶瓷锅密封肉(CPSM)风味特征的影响。电子鼻和舌头显示,与其他方法相比,微波炉在保留CPSM的原始嗅觉和味觉特征方面具有优势。Headspace-气相色谱-离子迁移谱(HS-GC-IMS)检测48种化合物,包括15种酒精,11醛,9酮,7酯,2烯烃,还有2个,1酸。光谱和聚类分析显示,沸腾再加热后,升温风味化合物的含量显着上升,最终导致明显的风味扭曲和感官评分下降。相对气味活性值(ROAV)和化学计量学确定了9种物质是导致风味扭曲的主要风味化合物。总之,所有再加热方法都会引起CPSM原始风味特征曲线的变化。然而,微波加热提供卓越的CPSM的风味特性保存。
    This study investigated the impacts of microwave reheating (MR), boil reheating (BR), and steam reheating (SR) on the flavor profile of Ceramic-Pot Sealed Meat (CPSM). Electronic nose and tongue revealed that the microwaving was superior in preserving the original olfactory and gustatory profiles of CPSM compared to the other methods. Headspace- Gas chromatography- ion mobility spectrometry (HS-GC-IMS) detected 48 compounds, encompassing 15 alcohols, 11 aldehydes, 9 ketones, 7 esters, 2 alkenes, and 2 others, 1 acid. Spectral and clustering analysis revealed a significant rise in the content of Warmed-over flavor compounds after boil reheating, culminating in pronounced flavor distortion and a decline in sensory scores. Relative odor activity value (ROAV) and chemometrics identified nine substances as the principal flavor compounds responsible to flavor distortion. In conclusion, all reheating methods induce changes in the original flavor characteristics profiles of CPSM. However, microwave reheating offers superior preservation of the flavor characteristics of CPSM.
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  • 文章类型: Journal Article
    啤酒鱼的特点是其独特的辛辣风味和浓郁的啤酒香气。目前,缺乏全面的研究分析啤酒鱼加工过程中味道和挥发性化合物的变化。因此,本研究使用HS-GC-IMS,电子舌,和电子鼻研究啤酒鱼各加工阶段风味成分的变化。随后使用多变量统计分析分析获得的结果。结果表明,最终啤酒鱼产品(SF)的游离氨基酸含量最多(888.28mg/100g),丙氨酸,谷氨酸,和甘氨酸有助于SF的味道。啤酒鱼肉的肌苷单磷酸(IMP)含量明显取决于加工阶段,油炸鱼(FF)的IMP含量最高(61.93mg/100g),然后是最终产品(SF)和超声波腌鱼(UF)。GC-IMS共检测出67种挥发物,主要由醛组成,酮,和酒精,其中醛占37%以上,这对啤酒鱼的挥发性风味有很大影响。根据加工阶段的不同,风味成分的组成明显不同。PLS-DA模型筛选出35种挥发性风味成分(VIP>1)作为标志;差异最显著的是1-丙硫醇,异戊醇,乙醇,还有桉树精.超声波处理,油炸,和浸泡酱可以显著提高风味化合物的形成,导致最终啤酒鱼的鲜味和整体风味质量显着提高。
    Beer fish is characterized by its distinctive spicy flavor and strong beer aroma. Currently, there is a lack of comprehensive research analyzing the changes in taste and volatile compounds that occur during the processing of beer fish. Thus, this study used HS-GC-IMS, electronic tongue, and electronic nose to investigate the changes in flavor components during various processing stages of beer fish. The obtained results were subsequently analyzed using multivariate statistical analysis. The results showed that the final beer fish product (SF) had the greatest amount of free amino acids (888.28 mg/100 g), with alanine, glutamic acid, and glycine contributing to the taste of SF. The inosine monophosphate (IMP) content of beer fish meat varied noticeably depending on processing stages, with deep-fried fish (FF) having the greatest IMP content (61.93 mg/100 g), followed by the final product (SF) and ultrasonic-cured fish (UF). A total of 67 volatiles were detected by GC-IMS, mainly consisting of aldehydes, ketones, and alcohols, of which aldehydes accounted for >37%, which had a great influence on the volatile flavor of beer fish. The flavor components\' composition varied noticeably depending on the stage of processing. PLS-DA model screened 35 volatile flavor components (VIP > 1) as markers; the most significant differences were 1-propanethiol, isoamyl alcohol, ethanol, and eucalyptol. Ultrasonic processing, frying, and soaking sauce can significantly improve the formation of flavor compounds, resulting in a notable enhancement of the final beer fish\'s umami taste and overall flavor quality.
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  • 文章类型: Journal Article
    罗非鱼具有良好的风味和加工适应性,适合于工业焙烧生产。在这项研究中,通过焙烧条件的优化,确定了焙烧罗非鱼感官形成的关键理化性质和挥发性成分。在215°C时获得最高的感官评分,45分钟,4%的石油。在烘烤过程中,a*,b*,硬度,耐嚼,蛋白质和脂质的氧化显著增加,水分含量下降,扫描电镜观察肌原纤维蛋白聚集。通过顶空-气相色谱-离子迁移光谱法鉴定和定量后,选择10种气味活性值≥1的化合物作为特征风味化合物。相关网络表明,感官形成主要来自美拉德反应,肌原纤维蛋白聚集,以及由蛋白质和脂质的氧化和水分流失引起的令人愉快的挥发性风味化合物的改善。本研究为烤制罗非鱼生产提供了重要的理论依据和技术支持。
    Tilapia is suitable for industrial roasting production because of its good flavor and processing adaptability. In this study, the key physicochemical properties and volatile compounds for sensory formation of roasted tilapia were identified after roasting condition optimization. The highest sensory score was obtained at 215 °C, 45 min, and 4% oil. During roasting, the a*, b*, hardness, chewiness, and oxidation of proteins and lipids significantly increased, the moisture content decreased, and the myofibrillar protein aggregation was observed by scanning electron microscope. After identification and quantification by headspace-gas chromatography-ion mobility spectrometry, 10 compounds with odor active value ≥1 were selected as characteristic flavor compounds. The correlation network indicated that the sensory formation mainly resulted from Maillard reaction, myofibrillar protein aggregation, and improvement of pleasant volatile flavor compounds induced by oxidation of proteins and lipids and water loss. This study provides an important theoretical basis and technical support for roasted tilapia production.
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  • 文章类型: Journal Article
    建立了不同生产工艺条件下蛋粉(EP)中挥发性物质(VOCs)的指纹图谱,分析了其吸附规律,包括蛋清粉(EWP),通过HS-GC-IMS测定蛋黄粉(EYP)和全蛋粉(WEP)。鉴定出的29种挥发性有机化合物主要为酮类和醛类。通过差异比较澄清了导致风味差异的特征VOCs,聚类和PCA分析。此外,通过显微镜成像,脂质和蛋白质的变化是EP中VOCs差异的主要原因,红外和荧光光谱。EWP的拉伸结构有利于鱼腥味的VOCs吸附,但由于强疏水相互作用而限制了总醛的结合。EYP较高的β-折叠率和较少的氢键位点削弱了其醇VOCs结合能力。EP中酮VOC的丰度与其位阻低有关。因此,本研究阐明了EWP之间风味差异的原因,EYP和WEP,为EP在食品工业中的应用奠定基础。
    The study constructed fingerprints and analyzed adsorption rules of volatile compounds (VOCs) in egg powder (EP) under different production processes, including egg white powder (EWP), egg yolk powder (EYP) and whole egg powder (WEP) by HS-GC-IMS. The 29 VOCs identified were primarily ketones and aldehydes. Characteristic VOCs responsible for flavor differences were clarified by difference comparison, clustering and PCA analysis. Additionally, variations in lipid and protein were the primary causes of the VOCs differences in EP through microscopy imaging, infrared and fluorescence spectroscopy. EWP\'s stretched structure favored fishy-smelling VOCs adsorption but limited total aldehyde binding due to strong hydrophobic interaction. EYP\'s higher β-sheet ratio and fewer hydrogen bond sites weakened its alcohol VOCs binding capacity. The abundance of ketone VOCs in EP was linked to their low steric hindrance. Therefore, this study elucidated the flavor differences reasons among EWP, EYP and WEP, laying foundation for EP applications in food industry.
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  • 文章类型: Journal Article
    为了了解鸽子胸肉(PBM)在保存过程中香气和细菌变化之间的关系,使用高通量测序和气相色谱-离子迁移谱分析了PBM中的细菌群落和挥发性化合物.对细菌总数的分析表明,改良的大气包装(MAP)和电子束辐照(EBI)可将PBM的保质期延长至10d和15d,分别。此外,乳球菌属。和嗜冷杆菌属.是MAP和EBI组的优势细菌属,分别。研究结果显示91种挥发性有机化合物,其中之一,丁醛,是最强烈的挥发性有机化合物,同时是物理保存技术之间香气差异的重要来源。α-terpinolene,乙二酮-M,γ-丁内酯,1-己醇-M,和2,6-二甲基-4-庚酮可能是PBM腐败的标志物。保存期间,MA组(用50%CO2+50%N2处理)表现出更大的PBM香气稳定性。Spearman相关分析表明乳球菌属。,嗜冷杆菌属.,和假单胞菌属。是保存过程中PBM的优势细菌属,与苯甲醚强度的增加密切相关,2-甲基-3-呋喃硫醇,和5-甲基-2-呋喃甲醇,分别。乳球菌属。和嗜冷杆菌属.在PBM的感官降解中起着至关重要的作用。在这项研究中,我们分析了不同物理保存技术下PBM的细菌属和挥发性有机化合物的变化,以确定合适的保存方法并评估其新鲜度。
    To understand the relationship between changes in aroma and bacteria in pigeon breast meat (PBM) during preservation, bacterial communities and volatile compounds in PBM were analyzed using high-throughput sequencing and gas chromatography-ion mobility spectrometry. Analyses of total viable bacteria counts revealed that modified atmospheric packaging (MAP) and electron beam irradiation (EBI) could be used to extend the shelf-life of PBM to 10 d and 15 d, respectively. Furthermore, Lactococcus spp. and Psychrobacter spp. were the dominant bacterial genera of the MAP and EBI groups, respectively. The results of the study revealed 91 volatile organic compounds, one of which, butanal, was the most intense volatile organic compound while being an important source of aroma differences between the physical preservation techniques. Alpha-terpinolene, acetoin-M, gamma-butyrolactone, 1-hexanol-M, and 2,6-dimethyl-4-heptanone may be markers of PBM spoilage. During preservation, the MA group (treatment with 50 % CO2 + 50 % N2) demonstrated greater stabilization of PBM aroma. A Spearman correlation analysis showed that Lactococcus spp., Psychrobacter spp., and Pseudomonas spp. were the dominant bacterial genera of PBM during preservation and were closely related to an increase in the intensity of anisole, 2-methyl-3-furanthiol, and 5-methyl-2-furanmethanol, respectively. Lactococcus spp. and Psychrobacter spp. play crucial roles in the sensory degradation of PBM. In this study, we analyzed the changes in bacterial genera and volatile organic compounds of PBM under different physical preservation techniques to identify a suitable method for preserving PBM and evaluating its freshness.
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  • 文章类型: Journal Article
    在这项研究中,电子鼻,HS-GC-IMS,和HS-SPME-GC-MS技术用于评估八种来源的牛肝菌菌丝和柄的风味特征。确定了23种气味活性值(OAV)>1的关键挥发性有机化合物(VOCs),同时在牛肝菌中鉴定出19种香气类型。蔬菜和泥土被定义为所有菌毛和菌柄样品的主要香气类型。香脂和霉味是接头鱼的主要和特征香气类型。菌丝和菌柄中挥发性有机化合物浓度最高的来源是楚雄州和阿坝州,分别。19和16个关键挥发性有机化合物被检测到楚雄菌丝和阿坝菌丝,分别,Metional是影响蔬菜香气类型的决定性化合物。本研究结果有助于牛肝菌菌丝和菌柄的风味鉴定和应用。
    In this study, E-nose, HS-GC-IMS, and HS-SPME-GC-MS technologies were used to evaluate the flavor characteristics of the pileus and stipe of Boletus edulis from eight origins. 23 key Volatile organic compounds (VOCs) with odor activity values (OAVs) > 1 were identified, and 19 aroma types have been identified in Boletus edulis at the same time. Vegetable and earthy were defined as the dominant aroma types for all pileus and stipe samples. Balsamic and musty were the main and characteristic aroma types for the pileus. The highest concentrations of VOCs in the pileus and stipe were originated from Chuxiong Prefecture and Aba Prefecture, respectively. 19 and 16 key VOCs were detected Chuxiong pileus and Aba stipe, respectively, and Methional was the decisive compound that influenced the vegetable aroma type. The results of this study could be helpful for flavor identification and application of pileus and stipe from Boletus edulis.
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