GC-MS Analysis of Chemical Constituents of Volatile Oil from Euonymus fortune Produced in Different Areas of Guangxi

The chemical constituents of the essential oil of Euonymus fortune from different areas were compared and analyzed by GC-MS.The results showed that 25 chromatographic peaks were separated and 13 chemical constituents were identified in Binyang County,Nanning City,accounting for 97.25%of the total volatile oil.Twenty nine chromatographic peaks were separated from Rong’an County,Liuzhou City,and 14 chemical constituents were identified,accounting for 89.91%of the total volatile oil.Thirty two chromatographic peaks were separated from Mengshan County,Wuzhou City,and 12 chemical constituents were identified,accounting for 92.16%of the total volatile oil.Twenty eight chromatographic peaks were separated from Rong County,Yulin City,and 11 chemical constituents were identified,accounting for 84.79%of the total volatile oil.Five of the chemical constituents of the volatile oil from the three places of origin are common to the four.They are phytol,palmitic acid,n-nonane,cumene,hexahydrofarnesyl acetone.It can be seen that the main components of volatile oil from different producing areas are different.

GC-MS Analysis and Antibacterial Activity Study of Volatile Oil from 11 Kinds of Aurantii Fructus Immaturus Processed Products

[Objectives]To study the volatile components and antibacterial effects of 11 kinds of Aurantii Fructus Immaturus processed products.[Methods]11 kinds of Aurantii Fructus Immaturus processed products were obtained according to the traditional processing method,the volatile oil was extracted by steam distillation,and the composition of volatile oil in the 11 kinds of processed products was analyzed by gas chromatography-mass spectrometry(GC-MS).the relative percentage content of each component in these 11 kinds of processed products was determined using the peak area normalization.The drug sensitivity activity of the volatile oil of these 11 kinds of processed products was tested using the K-B paper diffusion method and the minimum inhibition volume fraction of volatile oil of these 11 kinds of processed products was tested using the microdilution method.[Results]The highest yield of volatile oil of 11 kinds of these processed products was baking(5.193%),and the lowest was stir-bake to scorch(1.998%).A total of 36 chemical components were identified from the volatile oils of these 11 kinds of processed products.The components with the most volatile oil were stir-bake to scorch(24 kinds),and the components with the least volatile oil were the method of processing with rice-washed water(15 kinds).They contain 8 kinds of common chemical components,such as limonene,linalool,myrcene,α-pinene.The highest content of limonene came from processing with honey(60.93%),the lowest came from processing with rice-washed water(55.25%);the highest content of linalool came from processing with rice-washed water(7.139%),the lowest came from processing with honey(5.436%);the highest content of myrcene came from processing with honey(1.899%),the lowest came from stir-bake to scorch(1.632%);the highest content ofα-pinene came from raw Aurantii Fructus Immaturus(2.355%),and the lowest came from stir-bake to scorch(1.618%).The volatile oil of these 11 kinds of Aurantii Fructus Immaturus processed products has good antibacterial effect on Escherichia coli and Staphylococcus aureus.[Conclusions]The oil yields of volatile oils of 11 kinds of Aurantii Fructus Immaturus processed products are different,the content of limonene is significantly different,and the changes of other chemical components and their contents are not significantly different.The volatile oil of 11 kinds of Aurantii Fructus Immaturus processed products has certain antibacterial effect.

GC-MS Analysis of Chemical Constituents of Volatile Oils of the Yao Medicine Thunbergia grandiflora from Different Habitats in Guangxi

[Objectives]This study was conducted to compare and analyze the chemical constituents of the volatile oils of the Yao medicine Thunbergia grandiflora from different habitats.[Methods]A quartz capillary column DB-1MS,an EI ion source and a quadrupole mass analyzer were used for analysis.The chromatographic and mass spectrum information obtained was automatically retrieved and analyzed by data processing system and its memory spectrum library(Nist.08).The relative content of each chemical component in the volatile oil was determined by the peak area normalization method.[Results]Forty nine chromatographic peaks were isolated from the sample produced in Shitun,Bailongtan Town,Mashan County,and 24 chemical constituents were identified,accounting for 88.78% of the total volatile oil.Forty nine chromatographic peaks were isolated from the sample produced in Hongdu Village,Chengjiang Town,Duan County,and 30 chemical constituents were identified,accounting for 88.38% of the total volatile oil.Forty eight chromatographic peaks were isolated from the sample produced in Longwan Township,Du'an County,and 25 chemical constituents were identified,accounting for 80.01% of the total volatile oil.Nine chemical constituents were common to the volatile oils of the samples from the three habitats.[Conclusions]It could be seen that the main components of volatile oils from T.grandiflora produced in different areas are different.

GC-MS Analysis of Chemical Components of Volatile Oil in Different Parts of Fennel( Foenicuzu vulgare Mill. )

[Objectives] This study was conducted to analyze the composition of volatile oil in different parts of fennel(Foenicuzu vulgare Mill.) and to compare the differences in the composition of volatile oil in different parts of fennel.[Methods]The steam distillation method was applied to extract volatile oil from different parts of fennel,and the components of volatile oil from different parts of fennel were separated and identified by GC-MS.The relative content of each component was determined by the peak area normalization method.[Results]37,33,18,and 44 chemical components were separated from the volatile oil of fennel roots,stems,young leaves and fruit,respectively,accounting for 98.64%,99.34%,99.59% and 95.99% of the total volatile oil of corresponding parts.A total of 77 chemical components were identified in the four parts,of which 5 were common components.The main component of the volatile oil in the stems and young leaves was trans-anethole.The main components of the volatile oil in fruit were estragole and trans-anethole.And the main component of the volatile oil in the roots was dill apiol.The components in the volatile oil of fennel roots,stems,young leaves and fruit were different in type and content.[Conclusions]This study provides a theoretical reference for the further effective development and utilization of fennel resources.

GC-MS Analysis of Volatile Oils in Mango Leaves from Different Producing Areas

[Objectives]To analyze the composition of volatile oils from mango leaves from different producing areas.[Methods]The volatile oils in mango leaves from different areas was extracted by steam distillation,and the GC-MS method combined with retention index and peak area normalization method was used for qualitative and quantitative analysis.[Results]The volatile oils of mango leaves in southern provinces contained high content of terpenes,such asα-gurjunene(18.39%-34.13%),(+)-viridiflorene(8.95%-16.30%)and(E)-β-ocimene(3.49%-7.63%).The volatile oils components of mango leaves were significantly different in different provinces,for example,mango leaves produced in Hainan Province contained a large amount ofβ-selinene(23.00%),but not in other provinces.[Conclusions]The origin had a great influence on the composition and contents of volatile oils in mango leaves.

Chemical component analysis of volatile oil in drug pair Herba Ephedrae-Ramulus Cinnamomi by GC-MS and CRM

Active volatile components in drug pair(DP)Herba Ephedrae-Ramulus Cinnamomi(HE-RC),single drug HE and RC were analyzed by gas chromatography/mass spectrometry(GC/MS),chemometric resolution method(CRM)and overall volume integration.By means of CRM,the two-dimensional data obtained from GC-MS instruments were resolved into a pure chromatogram and a mass spectrum of each chemical compound.In total,97,62,and 78 volatile chemical components in volatile oil of HE,RC,and DP HE-RC,were respectively determined qualitatively and quantitatively,accounting for 90.08%,91.62%,and 89.76% total contents of volatile oil of HE,RC,and DP HE-RC respectively.It is further demonstrated that the numbers of volatile components of DP HE-RC are almost the sum of those of two single drugs,but some relative contents of them are changed.Some new components,such as 1,6-dimethylhepta-1,3,5-triene,tetracyclo[4.2.1.1(2,5).0(9,10)]deca-3,7-diene,globulol and(E,E)-6,10,14-trimethyl-5,9,13-pentadecatrien-2-one are found in DP HE-RC because of chemical reactions and physical changes during decoction.

Exploration of the efficacy and mechanism of treating head wind disease with the combination change of ginger volatile oil and gingerol by using content-weighted network pharmacology technology

Background:Exploring the efficacy,potential components,and mechanism of the combination of ginger essential oil and gingerols in the treatment of head wind disease based on network pharmacology technology with content weight.Methods:The experimental groups were divided into:0:10,1:4,1:2,1:1,2:1,4:1,10:0.The relative content(Ri)of the chemical constituents of ginger's volatile oil was determined using gas chromatography-mass spectrometry(GC-MS).Additionally,the physicochemical and biological property parameters(LogP,MDCK,PPB,MW)of the components were considered.To assess the quantitative effect of the components,a grading score was performed,and the quantitative effect index(Ki)was calculated.Subsequently,the target effect index(Ti)was calculated by combining the component-target matching score(Fit score).Using these calculations,the target effect score A was determined under the influence of multiple components targeting different targets.Key targets with A≥1000 were identified.To predict the targets related to head wind disease,the Comparative Toxicogenomics Database(https://ctdbase.org/),Gene Cards(https://www.genecards.org/),and Disgenet database(https://www.disgenet.org/)were utilized.The key targets,obtained from different proportions of ginger's volatile oil and gingerol,were intersected with the predicted targets.This facilitated network pharmacological analysis and verification of the efficacy.Results:The content of volatile oil in ginger demonstrated an impact on key targets associated with the volatile oil group.Each specific combination of volatile oil consistently activated distinct pathways,with variations stemming from changes in content.Experimental testing revealed that different combinations of ginger's volatile oil and gingerol effectively alleviated migraine symptoms in rats.Conclusion:Through the application of content-weighted network pharmacology technology and pharmacodynamic verification,it was determined that altering the ratio between ginger's volatile oil and gingerol leads to variations in potential targets and pathways,consequently impacting its efficacy.

闽南产罗勒不同部位挥发油的GC-MS成分分析及其抑菌活性比较

目的对闽南产罗勒不同部位挥发油的成分进行分析及抑菌活性比较。方法通过水蒸气蒸馏法提取闽南产罗勒不同部位(种子、叶、根、茎)的挥发油,采用气相色谱-质谱(GC-MS)联用技术,鉴定其化学成分组成;并以金黄色葡萄球菌和大肠杆菌作为鉴定菌,采用滤纸片扩散法比较罗勒四个部位挥发油的体外抗菌活性。结果从闽南产罗勒种子、叶、根、茎分别鉴定出30、26、16和26种挥发性化合物;种子和叶片的抑菌活力显著,根部和茎部的抑菌活性弱。结论罗勒种子和叶子在化学成分种类和主成分含量上相近,并表现出对金黄色葡萄球菌和大肠杆菌相当的抑菌活性;根、茎部挥发油的抑菌力弱。

托里阿魏挥发油的GC-MS指纹图谱及抗宫颈癌作用研究

目的建立托里阿魏挥发油的气相色谱-质谱(GC-MS)指纹图谱,并考察托里阿魏挥发油的抗宫颈癌作用。方法采用有机溶剂提取法提取托里阿魏根的挥发油,并通过GC-MS鉴定所含成分。通过MTT比色法考察不同浓度托里阿魏挥发油对人宫颈癌Hela细胞增殖的抑制作用。采用Transwell法检测托里阿魏挥发油对人宫颈癌Hela细胞迁移、侵袭能力的影响。应用流式细胞术检测托里阿魏挥发油作用下的细胞凋亡率。结果托里阿魏挥发油中鉴别出58种化学成分,含量最多的是孕酮。托里阿魏挥发油对人宫颈癌Hela细胞的增殖有一定的抑制作用,IC50为55.21μg/ml。托里阿魏高、低剂量组与对照组相比,迁移和侵袭细胞数量显著减少(P<0.01)。结论托里阿魏挥发油中含量最高的是酮类化合物。托里阿魏提取物有一定的抗肿瘤作用。

基于GC-MS和生物信息学研究丁香挥发油“启郁开闭”防治银屑病的成分及机制

[目的]通过气相色谱-质谱联用仪(GC-MS)鉴定丁香挥发油的成分,生物信息学预测其可能作用机制。[方法]GC-MS分析成分后,使用SwissADME平台对活性成分进行筛选,通过Swiss和GeneCards数据库获取这些活性成分与疾病相关的靶点,再通过Cytoscape软件构建化合物-靶点网络,采用String平台、Cytoscape软件构建靶点蛋白互作(PPI)网络,筛选关键靶点,将核心靶点导入DAVID数据库完成功能富集(GO)和京都基因和基因组百科全书(KEGG)分析,采用GEO芯片进行核心靶点的外部验证和ROC分析,最后利用AutoDock软件进行分子对接验证。[结果]从丁香挥发油中共鉴定出10个主要成分,且均满足“类药五原则”。预测到丝氨酸/苏氨酸蛋白激酶1(AKT1)、肿瘤坏死因子(TNF)、丝裂原活化蛋白激酶3(MAPK3)、血管内皮生长因子A(VEGFA)、酪氨酸蛋白激酶(SRC)、胱天蛋白酶3(CASP3)等关键靶点,外部验证结果显示6个关键靶点表达均具有差异,TNF具有诊断价值。富集分析得到了117个生物过程和114条信号通路。分子对接实验显示,大多数活性成分与其关键靶点具有良好的结合能力。[结论]丁香挥发油可能通过其中的活性成分如丁香酚等以及关键靶点如AKT1等来调控信号传导、蛋白质磷酸化与细胞分化等多个生物学过程,从而协同发挥防治银屑病的作用。

蔓马缨丹挥发油GC-MS分析及其生物活性

蔓马缨丹是我国华南地区常见的园林绿化灌木。本文采用水蒸气蒸馏法从蔓马缨丹枝叶中提取挥发油,通过GC-MS分析其化学组成,并分别测定其抗细菌和抗线虫活性。结果表明:蔓马缨丹枝叶挥发油的得率为0.075%(以鲜重为基础),通过气相色谱与质谱联用技术共分析并鉴定出39种化学成分。其中,含量较高的成分为β-cubebene和β-elemene,相对含量分别达到19.94%、19.61%。抗细菌活性结果表明,蔓马缨丹挥发油对青枯病菌、番茄疮痂病菌以及黄瓜细菌性角斑病菌均表现出一定程度的抑制活性,其中对番茄疮痂病菌的生长抑制效果相对最好,抑菌圈直径达到(30.40±2.78)mm。另外,蔓马缨丹挥发油对南方根结线虫表现出了一定的致死活性,在24 h内致死中浓度为(33.07±2.12)mg/mL。本研究结果可为蔓马缨丹资源的综合开发与利用提供思路,为植物源农药的开发奠定理论基础。

Detection of Volatile Components in Leaves and Bark of Picrasma quassioides by GC-MS

[Objectives]This study aimed to analyze the volatile oil components of the leaves and bark of Picrasma quassioides.[Methods]The volatile oils in the leaves and bark of P.quassioides were extracted using steam distillation(SD)method and identified with gas chromatography-mass spectrometry(GC-MS).Based on the mass spectrum database(NiST08),combined with artificial spectrum analysis,referring to relevant literature,the base peak and relative abundance were compared to identify the volatile components of the leaves and bark.The relative content of each component was determined by peak area normalization method.[Results]A total of 24 and 23 chemical components were identified in the leaves and bark of P.quassioides,respectively,including 11 common components.[Conclusions]Leaf and bark are different tissues.They contain different volatile chemical components,of which the contents vary greatly.They should be treated differently in the further research and development of P.quassioides resources.

超声辅助-GC-MS联用分析斯里兰卡桂叶油挥发性成分

采用超声辅助萃取结合气相色谱-质谱联用法(Gas chromatography-mass spectrometry,GC-MS)分析斯里兰卡桂叶油中挥发性成分。结果表明,①斯里兰卡桂叶油中共检测出32种挥发性成分,包含烯烃类、酚类、酯类、醇类、醛酮类、杂环类化合物;②其中酚类化合物总含量最高,为23.05 mg/g,占总挥发性物质的81.10%;③斯里兰卡桂叶油中含量较高的物质为丁香酚(23.05 mg/g)、苯甲酸苄酯(1.04 mg/g)、芳樟醇(0.53 mg/g)、氧化石竹烯(0.43 mg/g)、反式肉桂醛(0.15 mg/g)。

SPME-GC-MS分析黄绿蜜环菌挥发油成分

利用顶空固相微萃取-气相色谱-串联质谱方法(SPME-GC-MS)分析黄绿蜜环菌的挥发油成分,构建快速鉴定黄绿蜜环菌挥发油成分分析方法。从黄绿蜜环菌挥发油中鉴定出烷、酯、酮、酸、醛等52个成分,占色谱峰总数的65%,占总峰面积的98.63%。其中主要成分有11种,为丁基二乙基硼烷(4.26%)、2-甲基十二烷(4.87%)、环戊烷十一酸甲酯(3.24%)、棕榈酸(7.87%)、正十六烷(6.74%)、己基环戊烷(5.43%)、正十七烷(6.24%)、2,9-二甲基癸烷(8.42%)、亚油酸甲酯(10.94%)、2-甲基二十烷(12.23%)、7-己基二十烷(10.57%)等。为黄绿蜜环菌的进一步研究及开发利用提供了理论依据。

Application of Fluid Phase Recovery Method in the Early Development of BZ26-6 Volatile Oil Field in Bohai Sea

BZ26-6 Oilfield is a kind of deep metamorphic rock buried-hill volatile oilfield in Bohai Sea, China. Its early development plan is restricted due to the simultaneous production of oil and gas in large sections of reservoirs, unclear understanding of formation fluid properties and uncertainty of gas-oil interface. Through theoretical research on phase recovery and experimental analysis of crude oil phase characteristics in the original formation, characteristic parameters of the equilibrium condensate gas fluid are restored and calculated. Through the superimposed phase diagram of volatile oil and condensate gas, BZ26-6 Oilfield is determined to be a volatile oil reservoir with a condensate gas cap, with formation pressure and saturation pressure of 36.1 MPa, respectively. Based on the research results of oil-gas phase behavior characteristics, the thermodynamic equations and equation of state are jointly used to solve the problem, and the content change curves of each component at different depths are drawn. Combined with the sensitivity analysis of numerical simulation, the gas-oil interface is determined to be -3726 m above sea level. The fluid phase analysis software, Fluidmodeler, is used to simulate volatile oil degassing and condensate gas separation experiments. In combination with oil and gas production data obtained through the production test, the specific oil recovery index and the specific gas recovery index are determined to be 0.408 m3/(MPa·d·m) and 1195 m3/(MPa·d·m), respectively. And the reasonable production capacity prediction is conducted on the early development of BZ26-6 Oilfield. The research results can provide a theoretical basis for the efficient development of similar complex oil and gas reservoirs.

闪式提取法辅助肉豆蔻挥发油提取工艺研究及GC-MS成分分析

目的建立闪式提取法提取肉豆蔻挥发油的工艺,并与水蒸气蒸馏法提取的挥发油进行化学成分的对比。方法通过正交试验确定闪式提取法提取挥发油的最佳工艺,并通过肉豆蔻挥发油提取率和气相色谱-质谱联用(GC-MS)分析,来确定闪式提取法的可行性。结果闪式提取法最佳提取工艺为闪式电压105 V,闪式预处理60 s,液料比10∶1,蒸馏4 h,挥发油提取率为6.23%;闪式提取法和水蒸气蒸馏法均能分离出52个峰,水蒸气蒸馏法可鉴别出42种成分,闪式提取法可鉴别出41种成分,闪式提取法比水蒸气蒸馏法提取增加6种成分,未检测出7种成分,二者共有成分35种。结论闪式提取法操作简单,工艺可行,重复性好,可以作为提取肉豆蔻挥发油的一种方法。

基于GC-MS和化学计量学的怀菊不同部位挥发性成分差异分析

目的 通过对怀菊不同部位(花、茎、叶)挥发性成分进行分析鉴定,为怀菊资源综合利用奠定理论基础。方法 采用水蒸气蒸馏法分别提取不同批次怀菊不同部位中的挥发油,运用气相色谱-质谱联用技术(GC-MS)对其组成成分进行分析,通过谱库检索、文献查询等方式鉴定分析化合物,采用面积归一化法得到各化合物的相对百分含量,采用韦恩图、主成分分析和聚类热图分析其成分的差异。结果 从怀菊不同部位共鉴定出62个挥发性成分,主要是单萜和倍半萜及其衍生物,以及少量脂肪族化合物。花、茎和叶中分别鉴定出32、42和40个挥发性成分,共有成分17个,特有成分分别为5、6和16个。化学计量学方法分析结果表明,主成分分析和聚类热图分析均能将怀菊花、茎和叶分开,其挥发性成分具有差异性。结论 怀菊花、茎和叶中挥发性成分的种类和含量有一定的差异性,这为怀菊不同部位进一步药用或工业开发提供科学依据。

Analysis of Volatile Compounds and Identification of Characteristic Aroma Components of <i>Toona sinensis</i>(A. Juss.) Roem. Using GC-MS and GC-O

In this study, volatile compounds present in Toona sinensis (A. Juss.) Roem (TS) were investigated and their characteristic aromatic components were identified using Headspace Solid-phase Microextraction (HS-SPME) followed by Gas Chromatography-Mass Spectrometry (GC-MS) and Gas Chromatography-Olfactometry (GC-O). The optimum conditions for extracting the volatiles from TS were achieved with the experimental parameters including the use of a 65 μm polydimethylsiloxane/divinyl benzene (PDMS/DVB) fibre, an extraction temperature of 40℃ and an extraction time of 30 min. Under these conditions, 56 volatile compounds were separated and 53 were identified by GC-MS. Among them, 21 sulfide compounds (42.146%) and 27 terpenes(55.984%) were found to be the major components. The sample was analyzed by GC-O and 26 elutes were sniffed and their sensory descriptions evaluated by an odor panelists. Analysis of the data indicated, two compounds cis and trans isomers of 2-Mercapto-3,4-dimethyl-2,3-dihydrothiophene were major contributors to the characteristic aroma of TS.

基于电子鼻、HS-SPME-GC-MS和HS-GC-IMS评价不同制油工艺对大豆油品质及风味的影响

为探究不同制油工艺(冷榨法、浸出法、冷榨-浸出法)对三级大豆油品质及风味的影响,测定了大豆油的理化性质及脂肪酸组成,分别采用电子鼻、顶空-固相微萃取-气相色谱-质谱(headspace-solid phase microextraction-gaschromatography-massspectrometry,HS-SPME-GC-MS)法和顶空-气相色谱-离子迁移谱(headspace-gas chromatography-ion mobility spectroscopy,HS-GC-IMS)法鉴定3种豆油中挥发性化合物,并借助聚类热图、主成分分析(principal component analysis,PCA)和正交偏最小二乘判别分析(orthogonal partial least squares-discriminant analysis,OPLS-DA)对3种豆油的挥发性化合物数据进行差异分析。结果表明,冷榨型豆油的水分含量最低,浸出型豆油过氧化值显著偏高且油脂色泽最深;浓香型豆油中亚油酸含量最多,营养价值更高;被检出的挥发性组分中,醇类、醛类以及吡嗪类化合物为豆油风味的形成做出主要贡献,明晰了部分风味化合物形成的原因。最终通过OPLS-DA筛选出45种贡献较大的挥发性化合物,同时构建可靠的用以鉴别浓香型豆油的模型。此外,发现豆油的品质与风味之间存在一定的相关性。

GC-MS Analysis of Volatile Components in ‘Changping 8’ Apple Fruit

Solid-phase and micro-extraction combined with GC/MS(SPME-GC-MS) were employed to detect main aroma components in ‘Changping 8’ apple fruit. The results showed that, 29 kinds of compounds were identified from the aroma components in ‘Changping 8’ apple fruit, and they were aldehydes, alcohols, esters, ketones, etc. The main aroma components of apple fruits were acetic acid, hexyl ester, acetic acid, butyl ester,(E)-2-hexenal, 1-butanol, hexanal, and 1-hexanol.