The combination of pyrolysis high resolution gas chromatography and pat- tern recognition techniques is a powerful tool for the classification of traditional Chinese drug.A study has been completed on 55 Beimu samples...The combination of pyrolysis high resolution gas chromatography and pat- tern recognition techniques is a powerful tool for the classification of traditional Chinese drug.A study has been completed on 55 Beimu samples of five different geographic origins: Eastern China.Central China.South-western China,North-western China and North-eastern China.Principal component analysis and SIMCA are applied to effectively classifying the samples according to the origin of the plants.The chemical information contained in the high resolution gas chromatographic data is sufficient to characterize the geographic origin of sam- pies.展开更多
Nowadays,natural rubber(NR)is an indispensable material for industrial production and peoples’daily utilization.The root of Taraxacum kok-saghyz(TKS)contains a large amount of NR,which is potentially to be an alterna...Nowadays,natural rubber(NR)is an indispensable material for industrial production and peoples’daily utilization.The root of Taraxacum kok-saghyz(TKS)contains a large amount of NR,which is potentially to be an alternative rubber source of conventional Hevea brasiliensis(HB).In order to find a convenient,fast and green method for qualitative and quantitative analysis of NR in TKS,a pyrolysis gas chromatography-mass spectrometric(Py-GCMS)method was developed accordingly.The results indicated that the main products of TKS rubber after pyrolysis were isoprene and limonene,respectively,and the limit of detection(LOD)of TKS rubber was 2.603 mg/g.The ratios of NR mass fractions in TKSs by Py-GC-MS ranged from 1.20%±0.20%to 8.61%±0.28%.The developed method has been used for determination of actual TKS samples and can be further applied to the field test for rapid breeding and large-scale cultivation of TKS thereof.展开更多
A chemometric method to determine selective ion by using non-negative immune algorithm （NNIA） was proposed. In the method, the mutual projections of the chromatographic profiles at different m/z channel are calculat...A chemometric method to determine selective ion by using non-negative immune algorithm （NNIA） was proposed. In the method, the mutual projections of the chromatographic profiles at different m/z channel are calculated using NNIA. Suppose a GC-MS data with m retention time points and n mass channels, the projections of the GC-MS data onto a chromatographic profile at a mass channel will form a mass spectrum of ln vector. If the chromatographic profile at a selective mass channel is used, the extracted mass spectrum will be a correct one. Therefore, by comparing the extracted mass spectrum with a reference spectrum, the selective ion can be identified, and the corresponding chromatographic profile can be obtained at the same time. GC-MS data of 40-pesticide mixture was investigated by the method. The results show that both the mass spectral and the chromatographic information of the interested components can be extracted from the overlapping signals, except for the special cases of isomeric components with very similar mass spectra.展开更多
Labeled polychlorinated dibenzo-p-dioxins and dibenzofurans(PCDD/Fs)were extracted by three different methods,i.e.,soxhlet extraction,hot extraction and accelerated solvent extraction(ASE).The PCDD/Fs were detected by...Labeled polychlorinated dibenzo-p-dioxins and dibenzofurans(PCDD/Fs)were extracted by three different methods,i.e.,soxhlet extraction,hot extraction and accelerated solvent extraction(ASE).The PCDD/Fs were detected by high resolution gas chromatography-high resolution mass spectrometry.Comparisons of the three methods were carried out by recovery of PCDD/Fs,solvent consumption and extraction time.The results showed that all of the method could extract labeled PCDD/Fs efficiently.ASE was a time saving procedure with lowest consumption of solvents compared with the other two methods.展开更多
A rapid pretreatment method of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in soil and analysis by high resolution gas chromatograph-high resolution mass spectrometry was present.The extraction and a...A rapid pretreatment method of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in soil and analysis by high resolution gas chromatograph-high resolution mass spectrometry was present.The extraction and alumina clean up of PCDD/Fs in soil was achieved by accelerated solvent extractor.Then the multi-layer silica-gel column was used for further clean up.The whole method has been evaluated on certified reference soil and farm soil.Accuracy and precision of this method was tested with satisfactory results.展开更多
The thermal decomposition behaviors of four chemically modified polyethylene were investigated by high resolution pyrolysis gas chromatography\|mass spectrometry (HR PyGC-MS).The results revealed that substituents att...The thermal decomposition behaviors of four chemically modified polyethylene were investigated by high resolution pyrolysis gas chromatography\|mass spectrometry (HR PyGC-MS).The results revealed that substituents attached to maleated polyethylene as amides formed from secondary amines are significantly less stable than imides formed from primary amines.N-methylaniline amide-derivatives of maleated polyethylene undergo significant decomposition at 160℃ and substantial decomposition at 200℃.In contrast,the imides (except aniline imide) derivatives of maleated polyethylene are stable for long periods of time at 160℃,and the decomposition of phenethylamine imide-,9-aminomethylphenanthrene imide-derivatives is initiated slowly at 255℃ and 280℃,respectively.The effect of different modified groups on thermal stability of the polymers was discussed based on the qualitative and quantitative determination of the products.The thermal degradation pathways for the above chemically modified polyethylene were suggested.展开更多
The jet fuel sample passed through a column packed with neutral alumina powder adsorbent,then the gum adsorbed on the adsorbent was washed out with acetic acid.The gum samples were detected by gas chromatography-mass ...The jet fuel sample passed through a column packed with neutral alumina powder adsorbent,then the gum adsorbed on the adsorbent was washed out with acetic acid.The gum samples were detected by gas chromatography-mass spectrometry with capillary column and pyrolysis chromatography-mass spectrometry.The predominant components in gum are alkyl phenols and aryl esters.展开更多
Analysis of volatile components in herbal pair (HP) herba schizonepetae-ramulus cinnamomi (HS-RC), single herb HS and RC was carried out by gas chromatography-mass spectrometry (GC-MS) data and chemometric resolution ...Analysis of volatile components in herbal pair (HP) herba schizonepetae-ramulus cinnamomi (HS-RC), single herb HS and RC was carried out by gas chromatography-mass spectrometry (GC-MS) data and chemometric resolution method (CRM). The two-dimensional data obtained from GC-MS instruments were resolved into a pure chromatogram and a mass spectrum of each chemical compound by CRM. In total, 47, 61 and 51 chemical components in volatile oil of HS, RC, and HP HS-RC were respectively determined qualitatively and quantitatively, accounting for 90.52%, 88.37%, and 88.72% total contents of volatile oil of HS, RC, and HP HS-RC, respectively. The number of the volatile components of HP HS-RC is almost the addition of that of two single herbs, but their relative contents are changed.展开更多
Background:Over the years,there has been research on the anti-obesity effect of the Allium cepa bulb,but a dearth of research was carried out on the leaves,which is consumed as vegetable salad and soup,hence this stud...Background:Over the years,there has been research on the anti-obesity effect of the Allium cepa bulb,but a dearth of research was carried out on the leaves,which is consumed as vegetable salad and soup,hence this study was proposed.Objective:This study aims at investigating the effect of A.cepa leaves on high fat diet(HFD)induced obesity in male Wistar rats.Methods:Twenty-eight male Wistar rats were divided into four groups with seven rats each.Apart from Group 1(normal control which received normal pelleted diet),obesity was induced in 21 rats of Group 2 to 4 with HFD.Group 2,the obese control was administered with 100%HFD,while the diet for group 3 and 4 was supplemented with 10%and 20%A.cepa powdered leaves,respectively,for 28 days.Results:In the rats treated with 10%and 20%A.cepa,body weight,fat mass,blood glucose,total cholesterol,triglycerides,aspartate amino transferase,alanine amino transferase,creatinine and urea levels were reduced significantly(P<0.05)in comparison with the obese control group.The liver of the rats treated with 10%and 20%A.cepa leaves revealed small and few amounts of fat deposits in comparison with the obese control group,which revealed numerous and large deposits of fat.The kidney of the rats treated with 10%and 20%A.cepa leaves showed moderate and mild inflammation,respectively,in comparison with the obese control group which showed acute inflammation.The leaves of A.cepa had antioxidant properties and the presence of volatile compounds with anti-obesity properties in A.cepa were identified using gas chromatography-mass spectrometry(GC-MS).Conclusion:A.cepa leaves had weight-loss effect in that it decreased body weight,fat mass,glucose and lipid levels including fat deposits in the liver.展开更多
The humic acid（HA） sample obtained from the alluvial soil was characterized by elemental composition, pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） and solid-state 13C nuclear magnetic resonance （13C ...The humic acid（HA） sample obtained from the alluvial soil was characterized by elemental composition, pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） and solid-state 13C nuclear magnetic resonance （13C NMR） spectroscopy. There is high fat content and a few nitrogen-containing functional groups in HA. Py-GC-MS demonstrates the characterization and structural identification of HA. One long list of identified pyrolysis products was proposed for the construction of conceptual model of HA. Solid-state 13C NMR data indicate there are higher values of alkyl-C, O-alkyl-C and aryl-C in HA. The elemental composition, structural carbon distribution and L3C NMR spectroscopy of simulated HA are consistent with those of experimental HA. HyperChem was used to simulate the three-dimensional molecular structure of the monomer, which was optimized by the molecular mechanics of the optimized potential for liquid simulations（OPLS） force field and molecular dynamics simulation to get the stable and balanced conformation. The deprotonation process study depicts that the degree of ionization of HA gets deeper, while the electronegativity of HA and the energy of van der Waals（vdW） increase. Moreover, the 3D structure of humic acid with -4 charges is the most stable. The deprotonation process is an endothermic process.展开更多
The thermal degradation behavior of two organo-soluble polyimides was investigated by high resolution pyrolysis-gas chromatography/mass spectrometry. The pyrolyzates of the polymers at various temperatures were identi...The thermal degradation behavior of two organo-soluble polyimides was investigated by high resolution pyrolysis-gas chromatography/mass spectrometry. The pyrolyzates of the polymers at various temperatures were identified and characterized quantitatively. The relationship between the polymer structure and pyrolyzate distribution was discussed. The kinetic parameters of the thermal degradation were calculated based on thermogravimetric measurements. Finally, the thermal degradation mechanism for the polymers was suggested.展开更多
文摘The combination of pyrolysis high resolution gas chromatography and pat- tern recognition techniques is a powerful tool for the classification of traditional Chinese drug.A study has been completed on 55 Beimu samples of five different geographic origins: Eastern China.Central China.South-western China,North-western China and North-eastern China.Principal component analysis and SIMCA are applied to effectively classifying the samples according to the origin of the plants.The chemical information contained in the high resolution gas chromatographic data is sufficient to characterize the geographic origin of sam- pies.
基金This work was supported by the National Natural Science Foundation of China(No.51673012)National Key Research and Development Plan Fund(No.2017YFB0306901,2016YFF0203703-03)the Beijing Technology and Business University Youth Scholar Funds(No.PXM2019_014213_000007).
文摘Nowadays,natural rubber(NR)is an indispensable material for industrial production and peoples’daily utilization.The root of Taraxacum kok-saghyz(TKS)contains a large amount of NR,which is potentially to be an alternative rubber source of conventional Hevea brasiliensis(HB).In order to find a convenient,fast and green method for qualitative and quantitative analysis of NR in TKS,a pyrolysis gas chromatography-mass spectrometric(Py-GCMS)method was developed accordingly.The results indicated that the main products of TKS rubber after pyrolysis were isoprene and limonene,respectively,and the limit of detection(LOD)of TKS rubber was 2.603 mg/g.The ratios of NR mass fractions in TKSs by Py-GC-MS ranged from 1.20%±0.20%to 8.61%±0.28%.The developed method has been used for determination of actual TKS samples and can be further applied to the field test for rapid breeding and large-scale cultivation of TKS thereof.
基金financially supported by the National Natural Science Foundation of China (21175074)
文摘A chemometric method to determine selective ion by using non-negative immune algorithm （NNIA） was proposed. In the method, the mutual projections of the chromatographic profiles at different m/z channel are calculated using NNIA. Suppose a GC-MS data with m retention time points and n mass channels, the projections of the GC-MS data onto a chromatographic profile at a mass channel will form a mass spectrum of ln vector. If the chromatographic profile at a selective mass channel is used, the extracted mass spectrum will be a correct one. Therefore, by comparing the extracted mass spectrum with a reference spectrum, the selective ion can be identified, and the corresponding chromatographic profile can be obtained at the same time. GC-MS data of 40-pesticide mixture was investigated by the method. The results show that both the mass spectral and the chromatographic information of the interested components can be extracted from the overlapping signals, except for the special cases of isomeric components with very similar mass spectra.
文摘Labeled polychlorinated dibenzo-p-dioxins and dibenzofurans(PCDD/Fs)were extracted by three different methods,i.e.,soxhlet extraction,hot extraction and accelerated solvent extraction(ASE).The PCDD/Fs were detected by high resolution gas chromatography-high resolution mass spectrometry.Comparisons of the three methods were carried out by recovery of PCDD/Fs,solvent consumption and extraction time.The results showed that all of the method could extract labeled PCDD/Fs efficiently.ASE was a time saving procedure with lowest consumption of solvents compared with the other two methods.
文摘A rapid pretreatment method of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in soil and analysis by high resolution gas chromatograph-high resolution mass spectrometry was present.The extraction and alumina clean up of PCDD/Fs in soil was achieved by accelerated solvent extractor.Then the multi-layer silica-gel column was used for further clean up.The whole method has been evaluated on certified reference soil and farm soil.Accuracy and precision of this method was tested with satisfactory results.
文摘The thermal decomposition behaviors of four chemically modified polyethylene were investigated by high resolution pyrolysis gas chromatography\|mass spectrometry (HR PyGC-MS).The results revealed that substituents attached to maleated polyethylene as amides formed from secondary amines are significantly less stable than imides formed from primary amines.N-methylaniline amide-derivatives of maleated polyethylene undergo significant decomposition at 160℃ and substantial decomposition at 200℃.In contrast,the imides (except aniline imide) derivatives of maleated polyethylene are stable for long periods of time at 160℃,and the decomposition of phenethylamine imide-,9-aminomethylphenanthrene imide-derivatives is initiated slowly at 255℃ and 280℃,respectively.The effect of different modified groups on thermal stability of the polymers was discussed based on the qualitative and quantitative determination of the products.The thermal degradation pathways for the above chemically modified polyethylene were suggested.
文摘The jet fuel sample passed through a column packed with neutral alumina powder adsorbent,then the gum adsorbed on the adsorbent was washed out with acetic acid.The gum samples were detected by gas chromatography-mass spectrometry with capillary column and pyrolysis chromatography-mass spectrometry.The predominant components in gum are alkyl phenols and aryl esters.
基金Project(20235020) supported by the National Natural Science Foundation of China
文摘Analysis of volatile components in herbal pair (HP) herba schizonepetae-ramulus cinnamomi (HS-RC), single herb HS and RC was carried out by gas chromatography-mass spectrometry (GC-MS) data and chemometric resolution method (CRM). The two-dimensional data obtained from GC-MS instruments were resolved into a pure chromatogram and a mass spectrum of each chemical compound by CRM. In total, 47, 61 and 51 chemical components in volatile oil of HS, RC, and HP HS-RC were respectively determined qualitatively and quantitatively, accounting for 90.52%, 88.37%, and 88.72% total contents of volatile oil of HS, RC, and HP HS-RC, respectively. The number of the volatile components of HP HS-RC is almost the addition of that of two single herbs, but their relative contents are changed.
文摘Background:Over the years,there has been research on the anti-obesity effect of the Allium cepa bulb,but a dearth of research was carried out on the leaves,which is consumed as vegetable salad and soup,hence this study was proposed.Objective:This study aims at investigating the effect of A.cepa leaves on high fat diet(HFD)induced obesity in male Wistar rats.Methods:Twenty-eight male Wistar rats were divided into four groups with seven rats each.Apart from Group 1(normal control which received normal pelleted diet),obesity was induced in 21 rats of Group 2 to 4 with HFD.Group 2,the obese control was administered with 100%HFD,while the diet for group 3 and 4 was supplemented with 10%and 20%A.cepa powdered leaves,respectively,for 28 days.Results:In the rats treated with 10%and 20%A.cepa,body weight,fat mass,blood glucose,total cholesterol,triglycerides,aspartate amino transferase,alanine amino transferase,creatinine and urea levels were reduced significantly(P<0.05)in comparison with the obese control group.The liver of the rats treated with 10%and 20%A.cepa leaves revealed small and few amounts of fat deposits in comparison with the obese control group,which revealed numerous and large deposits of fat.The kidney of the rats treated with 10%and 20%A.cepa leaves showed moderate and mild inflammation,respectively,in comparison with the obese control group which showed acute inflammation.The leaves of A.cepa had antioxidant properties and the presence of volatile compounds with anti-obesity properties in A.cepa were identified using gas chromatography-mass spectrometry(GC-MS).Conclusion:A.cepa leaves had weight-loss effect in that it decreased body weight,fat mass,glucose and lipid levels including fat deposits in the liver.
基金the National Natural Science Foundation of China
文摘The humic acid（HA） sample obtained from the alluvial soil was characterized by elemental composition, pyrolysis gas chromatography-mass spectrometry（Py-GC-MS） and solid-state 13C nuclear magnetic resonance （13C NMR） spectroscopy. There is high fat content and a few nitrogen-containing functional groups in HA. Py-GC-MS demonstrates the characterization and structural identification of HA. One long list of identified pyrolysis products was proposed for the construction of conceptual model of HA. Solid-state 13C NMR data indicate there are higher values of alkyl-C, O-alkyl-C and aryl-C in HA. The elemental composition, structural carbon distribution and L3C NMR spectroscopy of simulated HA are consistent with those of experimental HA. HyperChem was used to simulate the three-dimensional molecular structure of the monomer, which was optimized by the molecular mechanics of the optimized potential for liquid simulations（OPLS） force field and molecular dynamics simulation to get the stable and balanced conformation. The deprotonation process study depicts that the degree of ionization of HA gets deeper, while the electronegativity of HA and the energy of van der Waals（vdW） increase. Moreover, the 3D structure of humic acid with -4 charges is the most stable. The deprotonation process is an endothermic process.
基金Project supported by the Polymer Physics Laboratory, Chinese Academy of Sciences
文摘The thermal degradation behavior of two organo-soluble polyimides was investigated by high resolution pyrolysis-gas chromatography/mass spectrometry. The pyrolyzates of the polymers at various temperatures were identified and characterized quantitatively. The relationship between the polymer structure and pyrolyzate distribution was discussed. The kinetic parameters of the thermal degradation were calculated based on thermogravimetric measurements. Finally, the thermal degradation mechanism for the polymers was suggested.
