Volatilomics is essential for understanding the biological functions and fragrance contributions of plant volatiles.However,the annotation coverage achieved using current untargeted and widely targeted volatomics(WTV)...Volatilomics is essential for understanding the biological functions and fragrance contributions of plant volatiles.However,the annotation coverage achieved using current untargeted and widely targeted volatomics(WTV)methods has been limited by low sensitivity and/or low acquisition coverage.Here,we introduce WTV 2.0,which enabled the construction of a high-coverage library containing 2111 plant volatiles,and report the development of a comprehensive selective ion monitoring(cSIM)acquisition method,including the selection of characteristic qualitative ions with the minimal ion number for each compound and an optimized segmentation method,that can acquire the smallest but sufficient number of ions for most plant volatiles,as well as the automatic qualitative and semi-quantitative analysis of cSIM data.Importantly,the library and acquisition method we developed can be self-expanded by incorporating compounds not present in the library,utilizing the obtained cSIM data.We showed that WTV 2.0 increases the median signal-to-noise ratio by 7.6-fold compared with the untargeted method,doubled the annotation coverage compared with the untargeted and WTV 1.0 methods in tomato fruit,and led to the discovery of menthofuran as a novel flavor compound in passion fruit.WTV 2.0 is a Python library with a user-friendly interface and is applicable to profiling of volatiles and primary metabolites in any species.展开更多
为了探究山苍子精油中主要成分的绝对含量,建立了一种气相色谱-质谱/选择离子扫描(gas chromatography mass spectrometry/selective ion monitoring,GC-MS/SIM)方法,对其中主要成分(α-蒎烯、β-蒎烯、D-柠檬烯、1,8-桉叶素、芳樟醇、...为了探究山苍子精油中主要成分的绝对含量,建立了一种气相色谱-质谱/选择离子扫描(gas chromatography mass spectrometry/selective ion monitoring,GC-MS/SIM)方法,对其中主要成分(α-蒎烯、β-蒎烯、D-柠檬烯、1,8-桉叶素、芳樟醇、香茅醛、柠檬醛)进行了定性和定量分析。该方法简便、高效,在25 min内山苍子精油中各成分分离良好。各成分在一定范围内均线性关系良好(R2>0.999),精密度、稳定性及重复性均符合要求,平均加标回收率为93.40%~107.35%。结果表明:该方法符合方法学验证要求,可用于山苍子精油的多成分含量测定,并为其质量评价提供依据。展开更多
在解析特殊挥发性物质的质谱裂解行为的基础上,建立气相色谱-质谱联用单离子监测(gas chromatography-mass spectrometry with selected ion monitoring,GC-MS SIM)稳定同位素内标法,对不同品种葡萄果实中的58种挥发性物质进行精准的定...在解析特殊挥发性物质的质谱裂解行为的基础上,建立气相色谱-质谱联用单离子监测(gas chromatography-mass spectrometry with selected ion monitoring,GC-MS SIM)稳定同位素内标法,对不同品种葡萄果实中的58种挥发性物质进行精准的定性与定量分析,并探讨不同品种中挥发性物质的含量差异。葡萄果实样品破碎均质后,采用固相微萃取的方法进行高效富集萃取,再进行GC-MS SIM分析。结果表明,在特定的质量浓度范围内该方法线性关系良好,其线性相关系数在0.995 0(除异丙醇为0.967 1)以上;绝大多数目标物的检出限低于1.56μg/kg;除个别挥发性物质的加标回收率较低,不同加标水平目标物样品回收率在60.64%~129.63%范围内,其回收率结果的相对标准偏差均低于19.56%。该方法具有灵敏度高、准确可靠的优点,适用于葡萄等水果蔬菜中挥发性物质的准确定性与定量研究。此外,本实验通过对12个不同品种的葡萄果实样品中挥发性物质的差异分析,探明葡萄果实中的关键性挥发性物质,并挖掘出不同品种葡萄的特色挥发性物质。展开更多
A novel preparation method of phosphorus pentafluoride（PF5） is introduced in details in the article. Phosphorus pentafluoride is mainly used to synthesize lithium ion battery electrolyte salt. In the experiment mesn...A novel preparation method of phosphorus pentafluoride（PF5） is introduced in details in the article. Phosphorus pentafluoride is mainly used to synthesize lithium ion battery electrolyte salt. In the experiment mesneproduct- hexafluorophosphoric acid（HPF6） was firstly prepared-from phosphorus pentoxide（P2O5） and anhydrous hydrogen fluoride（HF）, according to the chemical stoichiometrics, the optimum amount of excess HF used was about 60% and the optimum reaction time was 4 h; then HPF6 was dehydrated by oleum with an excess amount of 35%-- 40% which was heated for 40--50 min at 150 ℃; thus HPF6 was decomposed to a mixture of gases containing PF5; impurity gases were removed through condensation in the presence of cooling water at 0 ℃, then PF5 of high purity was eventually prepared. The production was characterized by inffared（IR） spectrometry and gas chromatography-mass spectroscopy-selected ion monitoring（GC-MS-SIM）. Eventual results indicate that PF5 prepared by the novel method has a high target purity and a low amount of impurity and water.展开更多
基金supported by key project of regional joint fund of National Natural Science FoundationNational Natural Science Foundation of China(U22A20476)Hainan international science and technology cooperation research and development project(GHYF2023005)+3 种基金Sanya Yazhou Sci-Tech City(SYND-2022-02).)Hainan Yazhou Bay Seed Lab(Nono.B21HJ0903)“111”Project111 Project(Nono.D20024).)Hainan Provincial Natural Science Foundation of China Hainan Provincial Natural Science Foundation of China(320MS011).)‘PhD Scientific Research and Innovation Foundation of Sanya Yazhou Bay Science and Technology City(HSPHDSRF-2023-12-001).)’Basic Research Project in 2023 of Yazhouwan National Laboratory.
文摘Volatilomics is essential for understanding the biological functions and fragrance contributions of plant volatiles.However,the annotation coverage achieved using current untargeted and widely targeted volatomics(WTV)methods has been limited by low sensitivity and/or low acquisition coverage.Here,we introduce WTV 2.0,which enabled the construction of a high-coverage library containing 2111 plant volatiles,and report the development of a comprehensive selective ion monitoring(cSIM)acquisition method,including the selection of characteristic qualitative ions with the minimal ion number for each compound and an optimized segmentation method,that can acquire the smallest but sufficient number of ions for most plant volatiles,as well as the automatic qualitative and semi-quantitative analysis of cSIM data.Importantly,the library and acquisition method we developed can be self-expanded by incorporating compounds not present in the library,utilizing the obtained cSIM data.We showed that WTV 2.0 increases the median signal-to-noise ratio by 7.6-fold compared with the untargeted method,doubled the annotation coverage compared with the untargeted and WTV 1.0 methods in tomato fruit,and led to the discovery of menthofuran as a novel flavor compound in passion fruit.WTV 2.0 is a Python library with a user-friendly interface and is applicable to profiling of volatiles and primary metabolites in any species.
文摘为了探究山苍子精油中主要成分的绝对含量,建立了一种气相色谱-质谱/选择离子扫描(gas chromatography mass spectrometry/selective ion monitoring,GC-MS/SIM)方法,对其中主要成分(α-蒎烯、β-蒎烯、D-柠檬烯、1,8-桉叶素、芳樟醇、香茅醛、柠檬醛)进行了定性和定量分析。该方法简便、高效,在25 min内山苍子精油中各成分分离良好。各成分在一定范围内均线性关系良好(R2>0.999),精密度、稳定性及重复性均符合要求,平均加标回收率为93.40%~107.35%。结果表明:该方法符合方法学验证要求,可用于山苍子精油的多成分含量测定,并为其质量评价提供依据。
基金Supported by the National Basic Research Program of China(No.2007CB613607)
文摘A novel preparation method of phosphorus pentafluoride（PF5） is introduced in details in the article. Phosphorus pentafluoride is mainly used to synthesize lithium ion battery electrolyte salt. In the experiment mesneproduct- hexafluorophosphoric acid（HPF6） was firstly prepared-from phosphorus pentoxide（P2O5） and anhydrous hydrogen fluoride（HF）, according to the chemical stoichiometrics, the optimum amount of excess HF used was about 60% and the optimum reaction time was 4 h; then HPF6 was dehydrated by oleum with an excess amount of 35%-- 40% which was heated for 40--50 min at 150 ℃; thus HPF6 was decomposed to a mixture of gases containing PF5; impurity gases were removed through condensation in the presence of cooling water at 0 ℃, then PF5 of high purity was eventually prepared. The production was characterized by inffared（IR） spectrometry and gas chromatography-mass spectroscopy-selected ion monitoring（GC-MS-SIM）. Eventual results indicate that PF5 prepared by the novel method has a high target purity and a low amount of impurity and water.
