Gas chromatography–mass spectrometry

气相色谱 - 质谱法
  • 文章类型: Journal Article
    对非动物蛋白替代来源的不断增长的需求刺激了该领域的研究。蘑菇在植物性食品的创新中显示出潜力。在这项研究中,目的是从平菇蘑菇中应用酶处理(β-葡聚糖酶和转谷氨酰胺酶-TG)开发原型鱼片类似物。Plackett-Burman20实验设计用于优化40个变量。燕麦粉(OF)对硬度和胶质构参数产生积极影响,但对粘结性和回弹性产生负面影响。大豆分离蛋白(SPI)对弹性有积极作用,胶质和耐嚼,虽然阿拉伯胶对弹性有负面影响,凝聚力和韧性。感官分析后,用1%木薯淀粉进行测定,5%的,5%SPI,0.1%转谷氨酰胺酶(240分钟/5°C),1%椰子油,1%大豆油,0.2%三磷酸钠,发现0.6%的β-葡聚糖酶(80°C/10分钟)和没有β-葡聚糖酶失活的情况下与鱼片表现出更大的相似性。碳氢化合物类,在通过色谱法和电子鼻进行的芳烃谱分析中,醇和醛是主要的。结论是,可以使用TG进行酶促处理来制备基于蘑菇的鱼片类似物。
    The growing demand for alternative sources of non-animal proteins has stimulated research in this area. Mushrooms show potential in the innovation of plant-based food products. In this study, the aim was to develop prototype fish fillets analogues from Pleurotus ostreatus mushrooms applying enzymatic treatment (β-glucanase and transglutaminase-TG). A Plackett-Burman 20 experimental design was used to optimize forty variables. Oat flour (OF) exerted a positive effect on the hardness and gumminess texture parameters but a negative effect on cohesiveness and resilience. Soy protein isolate (SPI) exhibited a positive effect on elasticity, gumminess and chewiness, while acacia gum had a negative effect on elasticity, cohesiveness and resilience. After sensory analysis the assay with 1% cassava starch, 5% OF, 5% SPI, 0.1% transglutaminase (240 min/5 °C), 1% coconut oil, 1% soybean oil, 0.2% sodium tripolyphosphate, 0.6% β-glucanase (80 °C/10 min) and without β-glucanase inactivation was found to exhibit greater similarity to fish fillet. The classes hydrocarbons, alcohols and aldehydes are the predominant ones in aromatic profile analysis by chromatography and electronic nose. It is concluded that a mushroom-based analogue of fish fillet can be prepared using enzymatic treatment with TG.
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  • 文章类型: Journal Article
    宫颈癌(CC)仍然是全球主要的健康问题,其中首当其冲的是低收入和中等收入国家,这些国家在细胞学和DNA基因分型方面对人乳头瘤病毒(hr-HPV)高危致癌亚型的筛查要么不充分,要么执行得相当晚.在这项研究中,我们旨在通过基于非靶向气相色谱-质谱的代谢组学,确定能够诊断健康患者和CC患者的宫颈癌前病变(CIN)阶段的生物标志物或一组生物标志物.进行各种交叉比较,从中鉴定差异代谢物。从各种交叉比较中确定的基于差异代谢物的基本代谢途径主要与氨基酸的生物合成和代谢以及类固醇激素的生物合成有关。从所有交叉比较来看,两种常见的代谢物,即,2-甲基-1-丙胺(也称为异丁胺)和雌酮被发现具有优异的诊断能力,特别是在区分CIN的早期阶段(CINI,CINII)来自健康女性和CC患者。这些发现具有临床意义,一旦验证,2-生物标志物组可以在临床实践中用于CIN和浸润性癌的早期诊断。因此,这将告知由临床医生开始的治疗的选择。
    Cervical cancer (CC) remains a major health concern globally, much of the brunt of which is experienced by the low- and middle-income countries where screening in terms of cytology and DNA genotyping for the high-risk oncogenic subtypes of the human papilloma virus (hr-HPV) is either inadequate or performed rather late. In this study, we aimed to determine biomarkers or panels of biomarkers that are capable of diagnosing the precancerous cervical intraepithelial neoplasia (CIN) stages from healthy and CC patients via untargeted gas chromatography-mass spectrometry-based metabolomics. Various cross-comparisons were conducted from which differential metabolites were identified. The underlying metabolic pathways based on the differential metabolites identified from the various cross-comparisons mainly related to amino acids biosynthesis and metabolism and steroid hormone biosynthesis. From all cross-comparisons, two common metabolites namely, 2-methyl-1-propylamine (also known as isobutylamine) and estrone were found to possess excellent to good diagnostic abilities, especially in distinguishing the early stages of CIN (CIN I, CIN II) from healthy women and CC patients. These findings have clinical significance in the sense that, once validated the 2-biomarker panel could be adopted in clinical practice for early diagnosis of CIN and invasive carcinoma. This would therefore inform the choice of treatment to be initiated by the clinician.
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  • 文章类型: Journal Article
    安氏单胞菌属于锥虫科,只感染昆虫的寄生虫家族。它以互惠的关系拥有细菌内共生体,构成了研究细胞器起源和细胞进化的极好模型。脂质组学方法,它可以全面分析生物系统中的所有脂质(脂质),是用于识别和测量脂质类别的不同表达模式的有用工具。本研究应用GC-MS和NMR技术,结合主成分分析(PCA),为了对在存在或不存在FBS的情况下生长的野生和非生动物A.deanei进行比较脂质组学研究。在A.deanei培养物中鉴定出支链异C17:0和C19:0-顺式-9,10和-11,12脂肪酸的含量异常,有趣的是,它们的含量在对数阶段文化中略有下降,表明在后期生长阶段,细胞必须促进脂质合成的重塑,以维持膜的流动性。这项工作中使用的分析技术的组合允许在各种A.deanei生长条件下检测和表征脂质和相关贡献者。
    Angomonas deanei belongs to Trypanosomatidae family, a family of parasites that only infect insects. It hosts a bacterial endosymbiont in a mutualistic relationship, constituting an excellent model for studying organelle origin and cellular evolution. A lipidomic approach, which allows for a comprehensive analysis of all lipids in a biological system (lipidome), is a useful tool for identifying and measuring different expression patterns of lipid classes. The present study applied GC-MS and NMR techniques, coupled with principal component analysis (PCA), in order to perform a comparative lipidomic study of wild and aposymbiotic A. deanei grown in the presence or absence of FBS. Unusual contents of branched-chain iso C17:0 and C19:0-cis-9,10 and-11,12 fatty acids were identified in A. deanei cultures, and it was interesting to note that their content slightly decreased at the log phase culture, indicating that in the latter growth stages the cell must promote the remodeling of lipid synthesis in order to maintain the fluidity of the membrane. The combination of analytical techniques used in this work allowed for the detection and characterization of lipids and relevant contributors in a variety of A. deanei growth conditions.
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  • 文章类型: Journal Article
    虽然男性对女性体味的吸引力被认为在排卵周期内有所不同,在肥沃的窗户周围达到顶峰,我们仍然缺乏方法上有力的证据来证实这种影响。Further,男性偏爱排卵女性气味的化学基础仍然未知。这里,我们结合了知觉和化学分析来调查10天以上自然骑自行车的女性的腋下气味,涵盖整个排卵周期中生育能力的逐渐变化,重点是肥沃的日子。通过尿排卵测试以及唾液雌二醇和孕酮水平证实了可育状态。男人评价陌生女人的气味,就像第一次相遇。我们使用多变量分析将气味等级和化学成分的变化与女性受孕概率联系起来,时间距离排卵和卵巢激素水平。我们的结果没有证据表明男性更喜欢有生育能力的女性的气味。此外,挥发性分析表明腋臭成分与当前生育状况之间没有联系.一起,我们的结果显示,在女性腋窝气味中没有令人信服的化学生育线索支持,质疑是否存在嗅觉生育信息,这些信息在现代人的第一次接触中可以识别。
    Although men\'s attraction to women\'s body odour has been suggested to vary over the ovulatory cycle, peaking around the fertile window, we still lack methodologically robust evidence corroborating this effect. Further, the chemical underpinnings of male preference for the odour of ovulating women remain unknown. Here, we combined perceptual and chemical analyses to investigate the axillary odour of naturally cycling women over 10 days, covering the gradual change in fertility across the ovulatory cycle with a focus on fertile days. The fertile state was confirmed by urinary ovulation tests as well as salivary oestradiol and progesterone levels. Men rated the scent of unfamiliar women, resembling a first encounter. We used multivariate analyses to relate variation in both odour ratings and chemical composition to female conception probability, temporal distance to ovulation and ovarian hormone levels. Our results provide no evidence that males prefer the odour of fertile women. Furthermore, the volatile analysis indicated no link between axillary odour composition and current fertility status. Together, our results showed no convincing support for a chemical fertility cue in women\'s axillary odour, questioning the presence of olfactory fertility information that is recognizable during first encounters in modern humans.
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  • 文章类型: Journal Article
    本研究旨在分析两种不同的非酵母菌种对从cv制成的红葡萄酒的芳香谱的影响。Babić(VitisviniferaL.)红葡萄品种。葡萄是从达尔马提亚中部和南部的两个位置获得的。这项研究将对照处理与酿酒酵母(Sc)菌株进行了比较,作为用Lachancea耐热Lachancea(LtxSc)和Torulasporadelbrueckii(TdxSc)进行的顺序接种处理。重点是使用SPME-Arrow-GC/MS方法确定的基本葡萄酒参数和挥发性芳香族化合物浓度。结果表明,顺式芳樟醇氧化物存在显着差异,香叶醇,nericacid,还有nerol,这有助于感官轮廓与花香和玫瑰一样的香气;一些乙酯,如糠酸乙酯,己酸乙酯,乳酸乙酯,2-羟基-3-甲基丁酸乙酯,3-羟基丁酸乙酯,戊二酸二乙酯,和琥珀酸二乙酯,以果味贡献芳香的轮廓,黄油,过熟,或老化的香气。对葡萄酒的感官评估证实,TdxSc处理表现出特别积极的芳香特性以及更强烈的丰满度,和谐,回味,整体印象。
    This research aimed to analyze the impact of two different non-Saccharomyces yeast species on the aromatic profile of red wines made from the cv. Babić (Vitis vinifera L.) red grape variety. The grapes were obtained from two positions in the Middle and South of Dalmatia. This study compared a control treatment with the Saccharomyces cerevisiae (Sc) strain as a type of sequential inoculation treatment with Lachancea thermotolerans (Lt x Sc) and Torulaspora delbrueckii (Td x Sc). The focus was on the basic wine parameters and volatile aromatic compound concentrations determined using the SPME-Arrow-GC/MS method. The results revealed significant differences in cis-linalool oxide, geraniol, neric acid, and nerol, which contribute to the sensory profile with floral and rose-like aromas; some ethyl esters, such as ethyl furoate, ethyl hexanoate, ethyl lactate, ethyl 2-hydroxy-3-methylbutanoate, ethyl 3-hydroxy butanoate, diethyl glutarate, and diethyl succinate, contribute to the aromatic profile with fruity, buttery, overripe, or aging aromas. A sensory evaluation of wines confirmed that Td x Sc treatments exhibited particularly positive aromatic properties together with a more intense fullness, harmony, aftertaste, and overall impression.
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  • 文章类型: Journal Article
    背景:在已确诊的炎症性肠病(IBD)患者中,粪便挥发性有机化合物(VOCs)因疾病亚型和活动而异。
    目的:根据疾病亚型描述新出现的IBD儿童的粪便VOCs模式,严重程度,以及对治疗的反应。
    方法:从英国三家医院招募疑似IBD患儿。诊断为IBD的儿童与非IBD儿童的年龄相匹配,性别,招聘网站。在IBD患儿出现时和3个月后,通过气相色谱-质谱法对粪便VOCs进行了表征。
    结果:在132个病例/对照对中,IBD的中位(四分位数间)年龄为13.3岁(10.2~14.7岁),38.6%为女性.与对照组相比,在克罗恩病(CD)中,27/62(43.6%)粪便VOCs的平均丰度显着降低,溃疡性结肠炎(UC)或两者,尤其是酮/二酮,脂肪酸,和醇(p<0.05)。短链,中链,和支链脂肪酸在严重结肠炎中显著降低(p<0.05)。尽管许多IBD患儿的临床改善,治疗后几乎所有挥发性有机化合物的数量和丰度都没有增加,表明持续的生态失调。与对照组相比,Oct-1-en-3-ol在CD(p=0.001)和UC(p=0.012)中增加,在UC中治疗后降低(p=0.01)。在CD中,丙-1-醇显著高于对照组(p<0.001)和广泛性结肠炎(p=0.001),且随治疗而下降(p=0.05).CD中的苯酚显著增加(p<0.001),并且在CD(p=0.02)和UC(p=0.01)中随着处理而下降。
    结论:在IBD患儿的初始队列中,粪便VOCs的特征揭示了与诊断相关的模式,疾病活动,和程度。进一步的工作应研究IBD中VOCs与微生物组之间的关系及其在诊断和疾病监测中的作用。
    BACKGROUND: Faecal volatile organic compounds (VOCs) differ with disease sub-type and activity in adults with established inflammatory bowel disease (IBD) taking therapy.
    OBJECTIVE: To describe patterns of faecal VOCs in children newly presented with IBD according to disease sub-type, severity, and response to treatment.
    METHODS: Children presenting with suspected IBD were recruited from three UK hospitals. Children in whom IBD was diagnosed were matched with a non-IBD child for age, sex, and recruitment site. Faecal VOCs were characterised by gas chromatography-mass spectrometry at presentation and 3 months later in children with IBD.
    RESULTS: In 132 case/control pairs, median (inter-quartile range) age in IBD was 13.3 years (10.2-14.7) and 38.6% were female. Compared with controls, the mean abundance of 27/62 (43.6%) faecal VOCs was statistically significantly decreased in Crohn\'s disease (CD), ulcerative colitis (UC) or both especially amongst ketones/diketones, fatty acids, and alcohols (p < 0.05). Short-chain, medium chain, and branched chain fatty acids were markedly reduced in severe colitis (p < 0.05). Despite clinical improvement in many children with IBD, the number and abundance of almost all VOCs did not increase following treatment, suggesting persistent dysbiosis. Oct-1-en-3-ol was increased in CD (p = 0.001) and UC (p = 0.012) compared with controls and decreased following treatment in UC (p = 0.01). In CD, propan-1-ol was significantly greater than controls (p < 0.001) and extensive colitis (p = 0.001) and fell with treatment (p = 0.05). Phenol was significantly greater in CD (p < 0.001) and fell with treatment in both CD (p = 0.02) and UC (p = 0.01).
    CONCLUSIONS: Characterisation of faecal VOCs in an inception cohort of children with IBD reveals patterns associated with diagnosis, disease activity, and extent. Further work should investigate the relationship between VOCs and the microbiome in IBD and their role in diagnosis and disease monitoring.
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  • 文章类型: Journal Article
    大麻色素(CBC)是大麻植物中鉴定出的120多种大麻素阵列中的次要大麻素。虽然CBC不包括整个植物材料的很大一部分,它以纯化和高度浓缩的形式提供给公众。随着次要大麻素由于其潜在的治疗特性而变得越来越受欢迎,阐明它们在人类中的新陈代谢变得至关重要。因此,本研究的目的是鉴定与人肝微粒体孵育后体外产生的主要CBCI相氧化代谢物.使用气相色谱-质谱法和核磁共振波谱法将新的代谢物结构鉴定为2'-羟基大麻素。在识别之后,进行了计算机分子建模实验,并预测2'-羟基大麻素符合CB1和CB2受体的正构位点。当使用竞争性结合测定法进行体外测试时,代谢产物未显示与CB1或CB2受体的显著结合.进一步的工作需要确定其他非大麻素受体中CBC和此处鉴定的I相代谢物的潜在活性。
    Cannabichromene (CBC) is a minor cannabinoid within the array of over 120 cannabinoids identified in the Cannabis sativa plant. While CBC does not comprise a significant portion of whole plant material, it is available to the public in a purified and highly concentrated form. As minor cannabinoids become more popular due to their potential therapeutic properties, it becomes crucial to elucidate their metabolism in humans. Therefore, the goal of this was study to identify the major CBC phase I-oxidized metabolite generated in vitro following incubation with human liver microsomes. The novel metabolite structure was identified as 2\'-hydroxycannabicitran using gas chromatography-mass spectrometry and nuclear magnetic resonance spectroscopy. Following the identification, in silico molecular modeling experiments were conducted and predicted 2\'-hydroxycannabicitran to fit in the orthosteric site of both the CB1 and CB2 receptors. When tested in vitro utilizing a competitive binding assay, the metabolite did not show significant binding to either the CB1 or CB2 receptors. Further work necessitates the determination of potential activity of CBC and the here-identified phase I metabolite in other non-cannabinoid receptors.
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  • 文章类型: Journal Article
    角质层蜡对保护植物免受各种环境压力至关重要。葱是研究表皮蜡合成的调节机制的出色模型,具有显着的表皮蜡特征。使用气相色谱-质谱(GC-MS)代谢物分析和转录组学相结合的方法来研究野生型(WT)和有光泽突变型(gl2)之间代谢物和基因表达模式的变化。WT表面有大量的针状和层状蜡状晶体,而gl2的叶表面基本上没有蜡状晶体。结果表明,16-hentriacontanone的含量显着降低,角质层蜡的主要成分,在gl2突变体中。转录组分析揭示了WT和gl2之间的3084个差异表达基因(DEGs)。此外,我们确定了12个与脂肪酸或蜡合成相关的基因。其中,10个DEGs与蜡合成的正向调节有关,而2个基因表现出负调节功能。此外,其中两个基因通过加权基因共表达网络分析确定为关键调节因子.值得注意的是,AsificC5G01838(AfCER1-LIKE1)的启动子区在gl2的编码区上游插入258bp,并降低了AfCER1-LIKE1基因的转录.这项研究提供了对控制a.fistulosum角质层蜡合成的分子机制的见解,为今后的育种策略奠定基础。
    Cuticular waxes are essential for protecting plants from various environmental stresses. Allium fistulosum serves as an excellent model for investigating the regulatory mechanisms underlying cuticular wax synthesis with notable epidermal wax characteristics. A combination of gas chromatography-mass spectrometry (GC-MS) metabolite analysis and transcriptomics was used to investigate variations in metabolites and gene expression patterns between the wild type (WT) and glossy mutant type (gl2) of A. fistulosum. The WT surface had a large number of acicular and lamellar waxy crystals, whereas the leaf surface of gl2 was essentially devoid of waxy crystals. And the results revealed a significant decrease in the content of 16-hentriacontanone, the principal component of cuticular wax, in the gl2 mutant. Transcriptomic analysis revealed 3084 differentially expressed genes (DEGs) between WT and gl2. Moreover, we identified 12 genes related to fatty acid or wax synthesis. Among these, 10 DEGs were associated with positive regulation of wax synthesis, whereas 2 genes exhibited negative regulatory functions. Furthermore, two of these genes were identified as key regulators through weighted gene co-expression network analysis. Notably, the promoter region of AfisC5G01838 (AfCER1-LIKE1) exhibited a 258-bp insertion upstream of the coding region in gl2 and decreased the transcription of the AfCER1-LIKE1 gene. This study provided insights into the molecular mechanisms governing cuticular wax synthesis in A. fistulosum, laying the foundation for future breeding strategies.
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  • 文章类型: Journal Article
    农药是用于杀死或控制各种类型害虫的化学物质,这对农作物和动物是有害的。在将农药施用于农作物后,农药可能会残留在食品上或食品中。食品中的农药残留一直是全球关注的主要问题,因为经常食用含有农药残留的食品会对健康造成直接和间接的危害。毒死蜱是最常用的农药之一,由于其对健康的有害影响,在全球范围内受到了广泛关注。粮食作物中毒死蜱残留的存在会对消费者健康产生长期和短期影响。孟加拉国是一个农业国家,每年使用大量农药,包括毒死蜱。本试验旨在分析本地种植的花椰菜中毒死蜱农药残留,卷心菜,卷心菜和茄子样品通过气相色谱-质谱(GC-MS)技术,然后进行合适的提取工艺。市售花椰菜,卷心菜,卷心菜收集茄子样品以及以推荐的农药剂量种植的样品进行定性和定量分析。收集没有毒死蜱培养的样品作为验证研究的对照样品。该方法在准确性方面进行了验证,recovery,再现性,线性度检测限,和定量的极限。该方法具有0.011mg/kg的检测限(LOD)和0.034mg/kg的定量限(LOQ)。将实验结果与最大残留水平(MRL)进行比较,以评估对人类健康的影响。44%的花椰菜样品中发现了毒死蜱残留,其中91%的样品比MRL高。在68%的白菜样品中发现了残留物,其中53%的样品高于MRL。对于茄子,在80%的样品中发现了残留物,其中65%的样品高于MRL。根据本研究中发现的残留水平进行的风险评估表明,在当地种植的蔬菜中存在高浓度的毒死rif残留存在潜在的健康危害。
    Pesticides are chemical substances used to kill or control various types of pests, which are hazardous for crops and animals. Pesticides may remain on or in foods after these are applied to crops. Pesticide residue in food has been a major global concern since there are direct and indirect health hazards associated with the regular consumption of foods with pesticide residues. Chlorpyrifos is one of the most used pesticides that has received much attention worldwide due to its detrimental health impact. The presence of chlorpyrifos residue in food crops can have both long-term and short-term effects on consumer health. Bangladesh is an agricultural country that uses a high volume of pesticides every year including chlorpyrifos. This experimental study aimed to analyze chlorpyrifos pesticide residue in locally grown cauliflower, cabbage, and eggplant samples by gas chromatography-mass spectrometry (GC-MS) technique followed by a suitable extraction process. Commercially available cauliflower, cabbage, and eggplant samples along with samples cultivated with the recommended pesticide dose were collected for qualitative and quantitative analysis. Samples cultivated without chlorpyrifos were collected as control samples for the validation study. The method was validated with respect to accuracy, recovery, reproducibility, linearity, limit of detection, and limit of quantification. The method has a limit of detection (LOD) of 0.011 mg/kg and a limit of quantification (LOQ) of 0.034 mg/kg. The experimental results were compared to the maximum residue level (MRL) to assess the human health impact. Chlorpyrifos residue was found in 44% of cauliflower samples with 91% of samples higher than MRL. The residue was found in 68% of cabbage samples with 53% of samples higher than MRL. For eggplant, the residue was found in 80% of the samples with 65% of samples higher than MRL. The risk assessment based on the residue level found in this study shows a potential health hazard of having a high concentration of chlorpyrifos residue in locally grown vegetables.
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  • 文章类型: Journal Article
    消费者依靠风味特征来区分不同类型的清克白酒(QKBJ)。明确QKBJ的性状可增强其认可度和长期生长。因此,这项研究分析了来自西藏不同地区的8个QKBJ样品(拉萨,Sannan,日喀则,和Qamdo)使用GC-MS,电子鼻和电子舌。电子舌和电子鼻的雷达图显示了所有八个样本的高度相似的轮廓。在所有样本中发现了15种常见化合物,主要的醇化合物是3-甲基-1-丁醇,1-己醇,异丁醇,1-丁醇,1-壬醇,和苯乙醇,赋予果味,花卉,和草药的香气。然而,Sannan样品的总醇含量高于总酯含量,强调苦涩。Lhasa1表现出最突出的甜味,Lhasa2最明显的酸味,和Qamdo最明显的鲜味。Lhasa3和Lhasa4的总酸含量仅次于总酯含量。Tyd有最高的烷烃,而拉萨的样品中醛类最多。
    Consumers rely on flavor characteristics to distinguish different types of Qingke Baijiu (QKBJ). Clarifying QKBJ\'s traits enhances its recognition and long-term growth. Thus, this study analyzed eight QKBJ samples from different regions of Tibet (Lhasa, Sannan, Shigatse, and Qamdo) using GC-MS, electronic nose and electronic tongue. The radar charts of the electronic tongue and electronic nose revealed highly similar profiles for all eight samples. Fifteen common compounds were found in all samples, with the main alcohol compounds being 3-Methyl-1-butanol, 1-hexanol, isobutanol, 1-butanol, 1-nonanol, and phenylethyl alcohol, imparting fruity, floral, and herbal aromas. However, the Sannan samples had higher total alcohol content than total ester content, emphasizing bitterness. Lhasa1 exhibited the most prominent sweetness, Lhasa2 the most noticeable sourness, and Qamdo the most pronounced umami. Lhasa3 and Lhasa4 had total acid content second only to total ester content. Tyd had the highest alkanes, while Lhasa had most aldehydes among samples.
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