volatile organic compounds

挥发性有机化合物
  • 文章类型: Journal Article
    茶饮料在储存过程中的风味稳定性一直是人们关注的问题。本研究旨在通过加速热处理试验探索龙井绿茶饮料的风味稳定性,解决长期储存试验的短缺问题。感官评估显示苦涩的变化,umami,全面协调,收敛性,和成熟度随着治疗持续时间的增加。伴随着L值的下降,ΔE以及a和b值的增加。通过代谢组学鉴定了17种非挥发性代谢物和3种挥发性代谢物在样品之间的差异,随后的相关分析表明感官属性和特定代谢物之间的关联。Umami与表没食子儿茶素3,5-digalate和α-D-吡喃葡萄糖有关,收敛性与鞣花酸和1-乙基-1H-吡咯相关。成熟度显示与鞣花酸有关,6,7-二羟基香豆素,庚醛,和苯甲醛,总体协调与6,7-二羟基香豆素有关,β-月桂烯,α-松油醇,和七头蛇。一系列验证试验证实了加速热处理试验替代传统储存试验的可行性。这些结果为揭示绿茶饮料的感官和化学特征之间的复杂关系提供了有价值的见解。
    The flavor stability of tea beverages during storage has long been a concern. The study aimed to explore the flavor stability of Longjing green tea beverage using accelerated heat treatment trials, addressing the shortage of lengthy storage trials. Sensory evaluations revealed changes in bitterness, umami, overall harmonization, astringency, and ripeness as treatment duration increased. Accompanied by a decrease in L-values, ΔE and an increase in a and b-values. Seventeen non-volatile metabolites and three volatile metabolites were identified differential among samples by metabolomics, with subsequent correlation analysis indicating associations between sensory attributes and specific metabolites. Umami was linked to epigallocatechin 3,5-digallate and alpha-D-glucopyranose, astringency was correlated with ellagic acid and 1-ethyl-1H-pyrrole. Ripeness showed associations with ellagic acid, 6,7-dihydroxycoumarin, heptanal, and benzaldehyde, and overall harmonization was linked to 6,7-dihydroxycoumarin, β-myrcene, α-terpineol, and heptanal. A series of verification tests confirmed the feasibility of accelerated heat treatment trials to replace traditional storage trials. These results offer valuable insights into unraveling the complex relationship between sensory and chemical profiles of green tea beverages.
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  • 文章类型: Journal Article
    江湘兴白酒(JB)的机械化生产是当今白酒行业的重要趋势。这项研究,采用高通量测序和顶空固相微萃取气相色谱-质谱(HS-SPME-GC-MS)技术,全面分析了微生态,物理化学因素,坑发酵过程中的挥发性成分,比较了传统发酵Zaopei(TZP)和机械化发酵Zaopei(MZP)。根据研究结果,ZP发酵过程中的优势微生物包括乳酸菌,红曲霉,Issatchenkia,和酵母菌。此外,像酵母菌这样的功能性微生物,红曲霉,Issatchenkia,Leothecium,念珠菌,Pichia,其他人在第0天和整个发酵过程中表现出差异。这些差异归因于不同的发酵环境和物理化学因素的影响。此外,综合分析检测到TZP和MZP中的87种挥发性化合物,56个显示出显著差异,主要包括酒精,醛类,酮,酸,酯类,和芳烃。此外,根据乙醇和挥发性化合物的产生,发酵可分为两个阶段:初始阶段(0-12天,P1)主要专注于酒精生产,而后续阶段(12-30天,P2)专注于挥发性化合物的产生。随后的相关性分析表明,挥发性化合物的变化主要来自微生物组成的变化,在真菌中观察到显著差异,特别是红曲霉,酵母菌,还有Issatchenkia,这推动了挥发性化合物的差异。该研究为实现JB的机械化高质量生产提供了重要的理论依据和实践指导。
    Mechanized production of Jiangxiangxing Baijiu (JB) stands as a pivotal trend in today\'s Baijiu industry. This study, employing high-throughput sequencing and headspace solid phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) technology, comprehensively analyzed the micro ecology, physicochemical factors, and volatile components during pit fermentation, comparing traditional fermentation Zaopei (TZP) and mechanized fermentation Zaopei (MZP). According to the research findings, the dominant microorganisms in the fermentation process of ZP comprise Lactobacillus, Monascus, Issatchenkia, and Zygosaccharomyces. In addition, functional microorganisms like Zygosaccharomyces, Monascus, Issatchenkia, Leiothecium, Candida, Pichia, and others exhibited differences on day 0 and throughout the fermentation process. These differences are attributed to the effects of distinct fermentation environment and physicochemical factors. Furthermore, comprehensive analysis detected 87 volatile compounds in TZP and MZP, with 56 showing significant differences, primarily including alcohols, aldehydes, ketones, acids, esters, and aromatics. Additionally, fermentation can be classified into two phases based on ethanol and volatile compounds production: the initial phase (0-12 days, P1) primarily focuses on alcohols production, while the subsequent phase (12-30 days, P2) concentrates on volatile compounds generation. The subsequent correlation analysis indicates that variations in volatile compounds primarily arise from shifts in microbial composition, with notable differences observed in fungi, specifically Monascus, Zygosaccharomyces, and Issatchenkia, which drive the disparities in volatile compounds. This study provides an important theoretical basis and practical guidance for the realization of mechanized high-quality production of JB.
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  • 文章类型: Journal Article
    这项研究旨在评估氨基酸作为脂质抗氧化剂在减少煎炸油中挥发性醛形成方面的作用。蛋氨酸,组氨酸,将浓度为2.5、5和10mM的甘氨酸添加到高油酸葵花籽油(HOSO)中,以研究它们对饱和葵花籽油的分布和形成的影响,单不饱和,和多不饱和挥发性醛。结果表明,饱和挥发性醛的比例大于不饱和挥发性醛的比例;蛋氨酸的抑制作用最好,油炸12小时后,10mM蛋氨酸使饱和挥发性醛的含量降低24.21%,单不饱和52.4%,与对照相比,多不饱和脂肪酸降低了54.73%。蛋氨酸的含硫侧链也被证明具有很强的抗氧化活性。结合本研究的结果,这也可以为使用氨基酸作为脂质抗氧化剂提供见解。
    This research aims to assess the effect of amino acids as lipid antioxidants in reducing the formation of volatile aldehydes in frying oil. Methionine, histidine, and glycine at concentrations of 2.5, 5, and 10 mM were added to high oleic sunflower oil (HOSO) to investigate their effects on the distribution and formation of saturated, monounsaturated, and polyunsaturated volatile aldehydes. The results showed that the proportion of saturated volatile aldehydes was greater than that of unsaturated ones; Methionine exhibited the best inhibitory effect, after 12 h of frying, 10 mM methionine reduced the content of saturated volatile aldehydes by 24.21 %, monounsaturated by 52.4 %, and polyunsaturated by 54.73 % compared to the control. Methionine\'s sulfur-containing side chain was also proven to have strong antioxidant activity. Combined with the results of this study, this can also provide insights for using amino acids as lipid antioxidants.
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  • 文章类型: Journal Article
    传统上,甘露糖蛋白被认为是有效的葡萄酒感官调节剂,然而,对它们的感官功能和生理化学特性之间的关系的模糊理解通常会导致在酿酒中的不当应用。为了揭示甘露糖蛋白在调节葡萄酒颜色和香气特性中的可能作用,制备了三种具有不同理化特性的水溶性甘露糖蛋白(MP1、MP2、MP3),加速红酒的陈酿,malvidin色素形成实验,在这项研究中,已经设计了加速香气释放实验来观察它们的感官调节功能。结果表明,红葡萄酒的酚类/色度稳定性可以通过MP3增强,可能是由于其低的空间位阻潜力,高反应性,和良好的水醇稳定性赋予其高甘露聚糖/葡聚糖比(8.68),丰富的疏水性/亲水性氨基酸(占总蛋白的65.29%),和低/中等分子量水平(30.71-57.77kDa),分别,保护酚类化合物并促进吡喃花色苷的形成。甘露糖蛋白可以通过排出或保留作用来调节芳香化合物的挥发性,这取决于甘露糖蛋白应用的持续时间(首先观察到的排出效应可能是由于MPs对游离H2O的显着吸附)和甘露糖蛋白的类型。MP1和MP2容易保留和排出芳香化合物,分别,可能是由于它们的中/高分子量水平(60.48-135.39kDa)赋予了丰富的相互作用位点,MP1中疏水和亲水成分比例高(总甘露糖蛋白的97.71%多糖,总蛋白的34.58%疏水氨基酸)和MP2(总甘露糖蛋白的97.96%多糖,总蛋白质的28.36%疏水性氨基酸)保证了与芳香化合物和游离H2O分子的相对较高的相互作用频率,分别。
    Mannoproteins have traditionally been recognized as effective wine organoleptic modulators, however, ambiguous understanding of the relationship between their organoleptic functions and physiochemical characteristics often lead to inappropriate application in winemaking. To reveal the possible role the physiochemical characteristics of mannoproteins play in modulating wine color and aroma properties, three water-soluble mannoproteins (MP1, MP2, MP3) with different physiochemical characteristics have been prepared, and accelerated red wine aging, malvidin pigments formation experiments, accelerated aroma release experiments have been designed to observe their organoleptic modulating functions in this research. Results suggest that the phenolic/chromatic stability of red wines could be enhanced by MP3, probably due to its low steric hindrance potential, high reactivity, and good hydro-alcoholic stability conferred by its high Mannan/Glucan ratio (8.68), abundant hydrophobic/hydrophilic amino acids (65.29 % of total protein), and low/medium molecular weight level (30.71-57.77 kDa), respectively, which protected the phenolic compounds and promoted the formation of pyranoanthocyanins. Mannoproteins could modulate the volatility of aroma compounds by expelling or retention effects, which depended on the duration of mannoprotein application (the expelling effect was firstly observed possibly because of the significant adsorption of free H2O by MPs) and the types of mannoproteins. MP1 and MP2 were prone to retain and expel aroma compounds, respectively, probably due to their medium/high molecular weight levels (60.48-135.39 kDa) that conferred abundant interacting sites, and the high proportion of hydrophobic and hydrophilic components in MP1 (97.71 % polysaccharides of total mannoprotein, 34.58 % hydrophobic amino acids of total protein) and MP2 (97.96 % polysaccharides of total mannoprotein, 28.36 % hydrophobic amino acids of total protein) guaranteed a relatively higher interacting frequency with aroma compounds and free H2O molecules, respectively.
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  • 文章类型: Journal Article
    枯萎是影响茶叶品质的第一个也是关键的过程,光质量是一个关键的调节因素。然而,枯萎光质(WLQ)对茶叶香气和挥发性代谢产物(VMs)转化和形成途径的影响尚不清楚。在本研究中,建立了四个WLQ来研究它们对茶香气和VM的影响。结果表明,蓝光和红光降低了草香气,改善了茶的花香和果香。基于GC-MS/MS,检测到83个VM。通过VIP,显著差异,和OAV分析,筛选了13个关键差异VM,以表征WLQ对茶叶香气的差异影响。进一步的进化和代谢途径分析表明,糖苷代谢是通过WLQ调节茶香的关键途径。蓝光枯萎显着增强糖苷水解和氨基酸脱氨,这有利于丰富花香和果味的虚拟机,如香叶醇,柠檬醛,水杨酸甲酯,2-甲基-丁醛,和苯乙醛,以及草地虚拟机的改造,例如octanal,萘,和顺式-3-己烯基异戊酸酯,从而形成茶叶花香和果香。研究结果为优质茶叶的针对性加工提供了理论依据和技术支持。
    Withering is the first and key process that influences tea quality, with light quality being a key regulatory factor. However, effects of withering light quality (WLQ) on transformation and formation pathways of tea aroma and volatile metabolites (VMs) remain unclear. In the present study, four WLQs were set up to investigate their effects on tea aroma and VMs. The results showed that blue and red light reduced the grassy aroma and improved the floral and fruity aroma of tea. Based on GC-MS/MS, 83 VMs were detected. Through VIP, significant differences, and OAV analysis, 13 key differential VMs were screened to characterize the differential impacts of WLQ on tea aroma. Further analysis of the evolution and metabolic pathways revealed that glycoside metabolism was the key pathway regulating tea aroma through WLQ. Blue light withering significantly enhanced glycosides hydrolysis and amino acids deamination, which was beneficial for the enrichment of floral and fruity VMs, such as geraniol, citral, methyl salicylate, 2-methyl-butanal, and benzeneacetaldehyde, as well as the transformation of grassy VMs, such as octanal, naphthalene, and cis-3-hexenyl isovalerate, resulting in the formation of tea floral and fruity aroma. The results provide theoretical basis and technical support for the targeted processing of high-quality tea.
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  • 文章类型: Journal Article
    在这项研究中,分析了不同发酵时间(2、4、6、8、12个月)的中国传统发酵鱼露(Yu-lu)的风味特征和动态变化。电子鼻分析证实了来自不同阶段的鱼露样品的显着风味变化。在12个月的发酵过程中,鱼露中的总挥发性化合物从3.9mg/L增加到13.53mg/L。酸,醛类,酯和酚是主要的香气物质,其含量在发酵过程中逐渐增加。GC-MS和GC-IMS的主成分分析表明,不同发酵时期的鱼露样品可以很好地区分。GC-MS共鉴定出110种挥发性化合物,GC-IMS检测到102种挥发性化合物。其中,通过GC-MS和GC-IMS鉴定了13种化合物。发酵8个月后出现的挥发物品种最多(49)。气味活性值(OAV)分析表明,10种挥发性化合物被认为是传统鱼露的特征风味。通过GC-MS和GC-IMS构建的PLS-DA模型中的变量对预测(VIPs)的影响确定了5种和10种挥发性化合物作为生物标志物,分别。我们的结果揭示了GC-MS和GC-IMS相结合的鱼露特征风味的动态变化。为鱼露的生产和风味调控提供了理论依据。
    In this study, flavor characteristics and dynamic change of Chinese traditional fermented fish sauce (Yu-lu) with different fermentation time (2, 4, 6, 8, and 12 months) were analyzed. The electronic nose analyses confirmed a notable flavor change in fish sauce samples from different stages. During the 12-months fermentation, the total volatile compounds in fish sauce increased from 3.9 mg/L to 13.53 mg/L. Acids, aldehydes, esters and phenols were the main aroma substances and their contents gradually increased during the fermentation process. The PCA of GC-MS and GC-IMS showed that fish sauce samples from different fermentation periods can be well distinguished. A total of 110 volatile compounds identified by GC-MS, and 102 volatile compounds were detected by GC-IMS. Among them, 13 compounds were identified by both GC-MS and GC-IMS. The most varieties (49) of volatiles appeared after 8 months of fermentation. The odor activity value (OAV) analysis showed that 10 volatile compounds were considered as characteristic flavor in traditional fish sauce. The variable influence on projections (VIPs) in PLS-DA models constructed by GC-MS and GC-IMS identified 5 and 10 volatile compounds as biomarkers, respectively. Our results revealed the dynamic changes of characteristic flavor in fish sauce in combination of GC-MS and GC-IMS, which provides theoretical basis for the production and flavor regulation of fish sauce.
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  • 文章类型: Journal Article
    这项研究采用了主成分分析(PCA)和气相色谱-离子迁移谱(GC-IMS)的组合,以检查在不同温度下发酵的辣白菜(CSC)产生的独特味道混合物。随着发酵的进行,发酵11天后,pH值逐渐降低并稳定,有机酸和短链脂肪酸的总含量增加。在CSC发酵和储存21天期间检测到总共49种挥发性混合物。其中包括7种醛,6醇,7酯,6酮,5吡嗪类,4种硫化物,4酚,2个醚,2烯烃,1酸。随着时间的推移,大多数挥发性风味物质的含量下降。样品中挥发性化学物质的信号强度的PCA表明,在不同温度下发酵的CSC的风味存在显着差异;因此,在不同温度下发酵的样品在CSC相对独立的区域得到了有效的分离。因此,低温发酵和4°C储存更适合CSC。根据确定的挥发性化学物质,HS-GC-IMS和PCA可以有效构建CSC样品的风味指纹图谱。本研究为提高CSC发酵品质提供了理论依据。
    This study employed a combination of principal component analysis (PCA) and gas chromatography-ion mobility spectrometry (GC-IMS) to examine the distinctive taste mixtures produced by Chinese spicy cabbage (CSC) fermented at varying temperatures. As the fermentation progressed, the pH gradually decreased and stabilized after the 11 days of fermentation, and the total content of organic acids and short-chain fatty acids increased. A total of 49 volatile mixtures were detected during CSC fermentation and storage for 21 days. These included 7 aldehydes, 6 alcohols, 7 esters, 6 ketones, 5 pyrazines, 4 sulfides, 4 phenols, 2 ethers, 2 olefins, and 1 acid. With time, the content of most volatile flavor substances decreased. PCA of the signal intensities of the volatile chemicals in the samples showed significant differences in the flavor of CSC fermented at different temperatures; consequently, the samples fermented at different temperatures were effectively separated in relatively independent regions of CSC. Therefore, low-temperature fermentation and storage at 4 °C were more suitable for CSC. Based on the identified volatile chemicals, HS-GC-IMS and PCA could effectively construct the flavour fingerprints of CSC samples. This study provided a theoretical basis for improving the fermentation quality of CSC.
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  • 文章类型: Journal Article
    背景:在这项研究中,呼出气测试被认为是检测和监测乳腺癌(BC)的一种有前途的方法。
    方法:使用高压光子电离飞行时间质谱(HPPI-TOFMS)平台检测呼吸样品中的挥发性有机化合物(VOC)。然后,在VOCs上构建机器学习(ML)模型,用于BC的诊断及其进展监测。最终,1981年有可用呼吸样本的女性被纳入研究,其中937(47.3%)被诊断为BC。VOC面板用于ML模型构建,用于BC检测和进展监测。
    结果:在盲测试队列中,这种基于VOC的模型成功区分了有和无BC的患者,具有敏感性,特异性,受试者特征曲线下面积(AUC)值为85.9%,90.4%,0.946区分有和没有淋巴结转移(LNM)的患者或患有肿瘤淋巴结转移(TNM)0/I/II或III/IV期疾病的患者时,相应的AUC值分别为0.840和0.708。尽管开发的基于VOC的模型在尝试根据病理模式(导管原位癌(DCIS)与侵袭性BC(IBC))或分子亚型(管腔与人类表皮生长因子受体2(HER2)与三阴性BC(TNBC))区分患者时表现不佳。
    结论:总的来说,基于HPPI-TOFMS的呼吸组学方法可能为BC的检测和进展监测提供价值.需要进一步的研究来探索已识别的VOCs的基本机制。
    BACKGROUND: In this study, exhaled breath testing has been considered a promising method for the detection and monitoring of breast cancer (BC).
    METHODS: A high-pressure photon ionization time-of-flight mass spectrometry (HPPI-TOFMS) platform was used to detect volatile organic compounds (VOCs) in breath samples. Then, machine learning (ML) models were constructed on VOCs for the diagnosis of BC and its progression monitoring. Ultimately, 1981 women with useable breath samples were included in the study, of whom 937 (47.3 %) had been diagnosed with BC. VOC panels were used for ML model construction for BC detection and progression monitoring.
    RESULTS: On the blinded testing cohort, this VOC-based model successfully differentiated patients with and without BC with sensitivity, specificity, and area under receiver operator characteristic curve (AUC) values of 85.9 %, 90.4 %, and 0.946. The corresponding AUC values when differentiating between patients with and without lymph node metastasis (LNM) or between patients with tumor-node-metastasis (TNM) stage 0/I/II or III/IV disease were 0.840 and 0.708, respectively. While developed VOC-based models exhibited poor performance when attempting to differentiate between patients based on pathological patterns (Ductal carcinoma in situ (DCIS) vs Invasive BC (IBC)) or molecular subtypes (Luminal vs Human epidermal growth factor receptor 2 (HER2+) vs Triple-negative BC (TNBC)) of BC.
    CONCLUSIONS: Collectively, the HPPI-TOFMS-based breathomics approaches may offer value for the detection and progression monitoring of BC. Additional research is necessary to explore the fundamental mechanisms of the identified VOCs.
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  • 文章类型: Journal Article
    基于吸附的大气集水(SAWH)是一种有前途的解决方案,用于局部高品质的水生产。SAWH在室内的应用提供了现场产水和湿度控制的双重好处。这项研究评估了SAWH在住宅或办公楼中的水生产中的使用,采用便携式沸石基SAWH装置。在美国西南部干旱的12个月的测试期间,该装置的平均产水量为3.6L/天,其成本比美国销售的瓶装水低30%。建立了一个数学模型来预测不同温度和相对湿度(RH)条件下的产水量.日产水量与改进的Langmuir模型很好地拟合,绝对湿度作为唯一的预测变量。从通风良好的办公楼中提取的水通常符合USEPA设定的饮用水标准。然而,从住宅收集的样品中检测到溶解有机碳(DOC)水平升高(中位数=32.6mg/L),强调人类活动的影响(例如,烹饪)关于空气中挥发性和半挥发性有机化合物的排放,因此,它们存在于收获的水中。醛和挥发性脂肪酸(甲酸,醋酸盐)约占AWE水中DOC的50%。碳纤维过滤器不能有效去除这些物质,强调在安全使用AWE水之前,需要进一步研究DOC管理的有效处理方法。总的来说,这项研究为室内SAWH作为分散的优质水源的实际应用提供了重要见解,并强调需要识别和管理DOC以确保其安全使用。
    Sorption-based atmospheric water harvesting (SAWH) is a promising solution for localized high-quality water production. Application of SAWH indoors offers dual benefits of on-site water generation and humidity control. This study evaluated the use of SAWH for water production in residential or office buildings, employing a portable zeolite-based SAWH device. Over the twelve-month testing period in the arid southwestern USA, the device achieved a median water yield of 3.6 L/day at a cost 30 % less than bottled water sold in the U.S. A mathematical model was developed for predicting water yield under different temperature and relative humidity (RH) conditions. Daily water yields were well fitted with the modified Langmuir model, with absolute humidity serving as the only prediction variable. Water extracted from a well-ventilated office building generally met the drinking water standards set by USEPA. However, elevated levels of dissolved organic carbon (DOC) were detected in the samples collected from the residential house (median = 32.6 mg/L), emphasizing the influence of human activities (e.g., cooking) on the emission of volatile and semi-volatile organic compounds in the air, which consequently reside in harvested water. Aldehydes and volatile fatty acids (formate, acetate) comprised roughly 50 % of the DOC found in the AWE water. A carbon fiber filter was not effective at removing these substances, highlighting the need for further research into effective treatment methods for DOC management before the safe use of AWE water. Overall, this study provides critical insights for the practical application of indoor SAWH as a decentralized source of high-quality water and emphasizes the need to identify and manage DOC for its safe use.
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  • 文章类型: Journal Article
    甲基化代表了一类关键的修饰,它协调了植物中的一系列调节作用,影响观赏特性,增长,发展,以及对非生物胁迫的反应。甲基化的建立和维持涉及多个调控因子的协同作用。甲基转移酶通过特异性识别和甲基化靶向位点发挥关键作用,诱导染色质结构和基因表达的改变,随后影响挥发性芳香物质的释放和植物花瓣中色素的积累。在本文中,我们综述了甲基化修饰反应的调控机制及其对植物花瓣中芳香物质和色素变化的影响。我们还探索了甲基化修饰的潜力,以揭示植物花瓣中香气和颜色的调节机制。这旨在进一步阐明合成,新陈代谢,以及与植物花瓣中的香气和颜色物质有关的各种甲基化修饰的调节机制,从而为改善植物花瓣的香气和色泽提供理论参考。
    Methylation represents a crucial class of modification that orchestrates a spectrum of regulatory roles in plants, impacting ornamental characteristics, growth, development, and responses to abiotic stress. The establishment and maintenance of methylation involve the coordinated actions of multiple regulatory factors. Methyltransferases play a pivotal role by specifically recognizing and methylating targeted sites, which induces alterations in chromatin structure and gene expression, subsequently influencing the release of volatile aromatic substances and the accumulation of pigments in plant petals. In this paper, we review the regulatory mechanisms of methylation modification reactions and their effects on the changes in aromatic substances and pigments in plant petals. We also explore the potential of methylation modifications to unravel the regulatory mechanisms underlying aroma and color in plant petals. This aims to further elucidate the synthesis, metabolism, and regulatory mechanisms of various methylation modifications related to the aroma and color substances in plant petals, thereby providing a theoretical reference for improving the aroma and color of plant petals.
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