As a new technology of analyzing crude oils,comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry(GC×GCTOFMS) has received much research attention.Here we present a case s...As a new technology of analyzing crude oils,comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry(GC×GCTOFMS) has received much research attention.Here we present a case study in the Junggar Basin of NW China.Results show that the hydrocarbons,including saturates and aromatics,were all well-separated without large coelution,which cannot be realized by conventional one-dimensional GC-MS.The GC×GC technique is especially effective for analyzing aromatics and low-to-middlemolecular-weight hydrocarbons,such as diamondoids.The geochemical characteristics of crude oils in the study area were investigated through geochemical parameters extracted by GC×GC-TOFMS,improving upon the understanding obtained by GC-MS.Thus,the work here represents a new successful application of GC×GCTOFMS,showing its broad usefulness in petroleum geochemistry.展开更多
Quality control of ginseng currently is mainly based on ginsenoside analysis,but rarely focuses on the volatile organic components.In the current work,an untargeted metabolomics approach,by headspace solid-phase micro...Quality control of ginseng currently is mainly based on ginsenoside analysis,but rarely focuses on the volatile organic components.In the current work,an untargeted metabolomics approach,by headspace solid-phase micro-extraction gas chromatography/mass spectrometry(HS-SPME-GC/MS),was elaborated and further employed to holistically compare the compositional difference of the volatile components simultaneously from 12 Panax herbal medicines,which included P.ginseng(PG),P.quinquefolius(PQ),P.notoginseng(PN),red ginseng(PGR),P.ginseng leaf(PGL),P.quinquefolius leaf(PQL),P.notoginseng leaf(PNL),P.ginseng flower(PGF),P.quinquefolius flower(PQF),P.notoginseng flower(PNF),P.japonicus(PJ),and P.japonicus var.major(PJvm).Chromatographic separation was performed on an HP-5MS elastic quartz capillary column using helium as the carrier gas,enabling good resolution within 1 h.We were able to characterize totally 259 volatile compounds,including 82 terpenes(T),46 alcohols(Alc),29 ketones(K),25 aldehydes(Ald),21 esters(E),and the others.By analyzing 90 batches of ginseng samples based on the untargeted metabolomics workflows,236 differential ions were unveiled,and accordingly 36 differential volatile components were discovered.It is the first report that simultaneously compares the compositional difference of volatile components among 12 Panax herbal medicines,and useful information is provided for the quality control of ginseng aside from the well-known ginsenosides.展开更多
采用感官定量描述分析法(SQDA)对A(JA1~JA3)、B(JB1~JB3)、C(JC1~JC3)三组复合香型白酒9个样品的风味结构进行分析,结果表明:三组复合香型白酒在香气评分上差异不显著,粮香、焦香、麦芽香突出,在口感评分上差异显著,A组白酒各维度口感...采用感官定量描述分析法(SQDA)对A(JA1~JA3)、B(JB1~JB3)、C(JC1~JC3)三组复合香型白酒9个样品的风味结构进行分析,结果表明:三组复合香型白酒在香气评分上差异不显著,粮香、焦香、麦芽香突出,在口感评分上差异显著,A组白酒各维度口感评分高于其他两组。采用顶空-气相色谱质谱联用技术(HS-GC-MS)对3种白酒挥发性化合物组成进行检测分析,共检测到148种挥发性物质。相关性分析结果显示,异丁醛、3-甲基呋喃、二甲基二硫醚、巴豆酸、环氧丙烷、丙烯醛和草酸只在A组白酒中被检测出来,丁酸乙酯在B组白酒中含量最高,JA3中含量偏低,表明3组白酒样品间存在明显的风味物质种类和含量差异。同步结合特征差异代谢物分析挖掘出74个VIP>1的潜在差异代谢物,A vs B组、A vs C组、B vs C组分别有14种、7种、4种化合物呈现极显著性差异(p<0.01),这些含量具有显著差异性的化合物可能与复合香型白酒风味特征的差异具有重要联系。综上所述,本研究采用两种技术协同分析,获得了3种白酒更全面的挥发性风味信息,解析了三组复合香型白酒的风味结构特征及差异,为深入研究复合香型白酒风味形成的机理奠定了基础。展开更多
基金funded by the Major State Basic Research Development Program of China(973 project,Grant No.2012CB214803)National Science and Technology Major Project of China(Grant No. 2016ZX05003-005)National Natural Science Foundation of China(Grant Nos.41322017 and 41472100)
文摘As a new technology of analyzing crude oils,comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry(GC×GCTOFMS) has received much research attention.Here we present a case study in the Junggar Basin of NW China.Results show that the hydrocarbons,including saturates and aromatics,were all well-separated without large coelution,which cannot be realized by conventional one-dimensional GC-MS.The GC×GC technique is especially effective for analyzing aromatics and low-to-middlemolecular-weight hydrocarbons,such as diamondoids.The geochemical characteristics of crude oils in the study area were investigated through geochemical parameters extracted by GC×GC-TOFMS,improving upon the understanding obtained by GC-MS.Thus,the work here represents a new successful application of GC×GCTOFMS,showing its broad usefulness in petroleum geochemistry.
基金National Natural Science Foundation of China(Grant No.81872996)Natural Science Foundation of Tianjin of China(Grant No.20JCYBJC00060).
文摘Quality control of ginseng currently is mainly based on ginsenoside analysis,but rarely focuses on the volatile organic components.In the current work,an untargeted metabolomics approach,by headspace solid-phase micro-extraction gas chromatography/mass spectrometry(HS-SPME-GC/MS),was elaborated and further employed to holistically compare the compositional difference of the volatile components simultaneously from 12 Panax herbal medicines,which included P.ginseng(PG),P.quinquefolius(PQ),P.notoginseng(PN),red ginseng(PGR),P.ginseng leaf(PGL),P.quinquefolius leaf(PQL),P.notoginseng leaf(PNL),P.ginseng flower(PGF),P.quinquefolius flower(PQF),P.notoginseng flower(PNF),P.japonicus(PJ),and P.japonicus var.major(PJvm).Chromatographic separation was performed on an HP-5MS elastic quartz capillary column using helium as the carrier gas,enabling good resolution within 1 h.We were able to characterize totally 259 volatile compounds,including 82 terpenes(T),46 alcohols(Alc),29 ketones(K),25 aldehydes(Ald),21 esters(E),and the others.By analyzing 90 batches of ginseng samples based on the untargeted metabolomics workflows,236 differential ions were unveiled,and accordingly 36 differential volatile components were discovered.It is the first report that simultaneously compares the compositional difference of volatile components among 12 Panax herbal medicines,and useful information is provided for the quality control of ginseng aside from the well-known ginsenosides.
文摘采用感官定量描述分析法(SQDA)对A(JA1~JA3)、B(JB1~JB3)、C(JC1~JC3)三组复合香型白酒9个样品的风味结构进行分析,结果表明:三组复合香型白酒在香气评分上差异不显著,粮香、焦香、麦芽香突出,在口感评分上差异显著,A组白酒各维度口感评分高于其他两组。采用顶空-气相色谱质谱联用技术(HS-GC-MS)对3种白酒挥发性化合物组成进行检测分析,共检测到148种挥发性物质。相关性分析结果显示,异丁醛、3-甲基呋喃、二甲基二硫醚、巴豆酸、环氧丙烷、丙烯醛和草酸只在A组白酒中被检测出来,丁酸乙酯在B组白酒中含量最高,JA3中含量偏低,表明3组白酒样品间存在明显的风味物质种类和含量差异。同步结合特征差异代谢物分析挖掘出74个VIP>1的潜在差异代谢物,A vs B组、A vs C组、B vs C组分别有14种、7种、4种化合物呈现极显著性差异(p<0.01),这些含量具有显著差异性的化合物可能与复合香型白酒风味特征的差异具有重要联系。综上所述,本研究采用两种技术协同分析,获得了3种白酒更全面的挥发性风味信息,解析了三组复合香型白酒的风味结构特征及差异,为深入研究复合香型白酒风味形成的机理奠定了基础。