Rechargeable aqueous zinc-ion batteries(AZIBs)have their unique advantages of cost efficiency,high safety,and environmental friendliness.However,challenges facing the cathode materials include whether they can remain ...Rechargeable aqueous zinc-ion batteries(AZIBs)have their unique advantages of cost efficiency,high safety,and environmental friendliness.However,challenges facing the cathode materials include whether they can remain chemically stable in aqueous electrolyte and provide a robust structure for the storage of Zn2+.Here,we report on H11Al2V6O23.2@graphene(HAVO@G)with exceptionally large layer spacing of(001)plane(13.36?).The graphene-wrapped structure can keep the structure stable during discharge/charge process,thereby promoting the inhibition of the dissolution of elements in the aqueous electrolyte.While used as cathode for AZIBs,HAVO@G electrode delivers ideal rate performance(reversible capacity of 305.4,276.6,230.0,201.7,180.6 mAh g?1 at current densities between 1 and 10 A g?1).Remarkably,the electrode exhibits excellent and stable cycling stability even at a high loading mass of^15.7 mg cm?2,with an ideal reversible capacity of 131.7 mAh g?1 after 400 cycles at 2 A g?1.展开更多
ccording to the chemical bond theory we designed geometric structures ofcluster ions Nb_nS generated by laser ablation and calculated their electronic struc-tures using DV-X_a method of quantum chemistry. The results...ccording to the chemical bond theory we designed geometric structures ofcluster ions Nb_nS generated by laser ablation and calculated their electronic struc-tures using DV-X_a method of quantum chemistry. The results show that with theincrease of the cluster size the structures of the cluster ions change from a single-chain to a double-chain, then to a planar-net, and linking up to a net at Nb_3. Thenegative cluster ions tend to form a divergent configuration due to the extra chargeson it.展开更多
The kinetics of ion exchange between Ca2+, Mg2+, Co(Ⅱ), Cu(Ⅱ),Ni(Ⅱ), Fe(Ⅲ), y3+ or Sm3+ , respectively, in 0.50 mol/L HC1 and H+ on macrorecticular sulfonic ion exchange resin and the kinetics of the same reaction...The kinetics of ion exchange between Ca2+, Mg2+, Co(Ⅱ), Cu(Ⅱ),Ni(Ⅱ), Fe(Ⅲ), y3+ or Sm3+ , respectively, in 0.50 mol/L HC1 and H+ on macrorecticular sulfonic ion exchange resin and the kinetics of the same reactions (M -H exchange) when Mn(Ⅱ) coexisted in resin phase as accelerating ion were studied. The accelerating effect manifested and its rule are consistent with the accelerating effect theory based on the concept concerned with adsorption electrical double layer which has been suggested in a previous paper published.展开更多
The analysis of hexavalent chromium, Cr(VI), in soil and sediment samples has been predominantly carried out in materials containing elevated levels. Reliable analysis of trace-level of Cr(VI) in sediment samples rema...The analysis of hexavalent chromium, Cr(VI), in soil and sediment samples has been predominantly carried out in materials containing elevated levels. Reliable analysis of trace-level of Cr(VI) in sediment samples remains challenging. Cr(VI) analyses with multipoint calibration and speciated isotope dilution (SID) adapted from U.S. EPA method 6800 were used to measure lower-level Cr(VI) on an ion chromatograph coupled with a tandem mass spectrometer (IC-MS/MS). Lake sediment samples were collected from various locations in Northern Ontario and Cr(VI) was extracted using both alkaline digestion and ethylene diaminetetraacetic acid (EDTA) extraction. Certified reference materials were extracted and analyzed by IC-MS/MS and UV-VIS detection. The SID-MS approach allowed for the quantification of Cr(VI) in samples with concentration levels below 0.5 μg.g-1 wet weight.展开更多
The present study employed an imaging mass spectrometry (IMS) method to evaluate the effect of dietary n – 3 fatty acids on the fatty acid composition in rat brain. Rats were divided into two groups and fed either an...The present study employed an imaging mass spectrometry (IMS) method to evaluate the effect of dietary n – 3 fatty acids on the fatty acid composition in rat brain. Rats were divided into two groups and fed either an n – 3 fatty acid-deficient or adequate diet. We determined the decreased n – 3 fatty acids in the hippocampus of rats fed an n – 3 fatty acid-deficient diet compared to the control. IMS visualization was achieved at a resolution of 100 m in rat brain, and showed decreased docosahexaenoic acid (DHA)-containing phosphatidyl choline (PC) or phosphatidyl ethanolamine (PE) in the hippocampus of rats fed an n – 3 fatty acid-deficient diet.展开更多
Mass spectrometry is an essential part of ion implantation. Therefore, in order to guarantee beam purity avoiding contamination of the implanted samples, a system was developed for the high current implanter at the La...Mass spectrometry is an essential part of ion implantation. Therefore, in order to guarantee beam purity avoiding contamination of the implanted samples, a system was developed for the high current implanter at the Laboratory of Accelerators and Radiation Technologies (LATR) at the Instituto Superior Técnico. The system presented and discussed in this paper was developed using a LabVIEW code and uses a PC to control and display the mass spectrum. It also permits to save all data acquired for posterior analysis. In order to show some capabilities of this system, some experimental results are presented.展开更多
A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory,and veri...A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory,and verified in the NaCl-KCl-H2O ternary system at 298.15 K. To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions,the mass action concentrations of components in the NaCl-H2O binary strong electrolyte aqueous solution were also computed at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activity because they were obtained at different standard states and concentration units. The results show that the transformation coefficients between calculated mass action concentrations and reported activities of the same components change in a very narrow range. The calculated mass action concentrations of components in the NaCl-H2O and NaCl-KCl-H2O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions,and the mass action concentration also strictly follows the mass action law.展开更多
Tartaric acid, oxalic acid, glucose, and fructose are highly important compounds. A comprehensive study of these substances is fascinating from a scientific perspective. They are key components found in wine, vegetabl...Tartaric acid, oxalic acid, glucose, and fructose are highly important compounds. A comprehensive study of these substances is fascinating from a scientific perspective. They are key components found in wine, vegetables, and fruits. Understanding the isotopic compositions in organic compounds is crucial for comprehending various biochemical processes and the nature of substances present in different natural products. Tartaric acid, oxalic acid, glucose, and fructose are widely distributed compounds, including in vegetables and fruits. Tartaric acid plays a significant role in determining the quality and taste properties of wine, while oxalic acid is also prevalent but holds great interest for further research, especially in terms of carbon isotopic composition. We can unveil the mechanisms of processes that were previously impossible to study. Glucose and fructose are the most common monosaccharides in the hexose group, and both are found in fruits, with sweeter fruits containing higher amounts of these substances. In addition to fruits, wheat, barley, rye, onions, garlic, lentils, peppers, dried fruits, beans, broccoli, cabbage, tomatoes, and other foods are also rich sources of fructose and glucose. To determine the mass fraction of the carbon-13 isotope in these compounds, it is important to study their changes during natural synthesis. These compounds can be modified with a carbon center. According to the existing isotopic analysis method, these compounds are converted into carbon oxide or dioxide [1]. At this point, the average carbon content in the given compound is determined, but information about isotope-modified centers is lost. Dilution may occur through the transfer of other carbon-containing organic compounds in the sample or by dilution with natural carbon or carbon dioxide during the transfer process. This article discusses the possibility of carbon-13 isotope propagation directly in these compounds, both completely modified and modified with individual carbon centers. The literature provides information on determining carbon-13 substance in organic compounds, both with a general approach and for individual compounds [2] [3].展开更多
The positive and negative ESI-MS/MS spectra of N-ethoxy(phenyl) phosphoryl amino acids(EPP-AA) were investigated by electrospray ionization(ESI) ion trap mass spectrometry. The fragmentation pathways of [ M + N...The positive and negative ESI-MS/MS spectra of N-ethoxy(phenyl) phosphoryl amino acids(EPP-AA) were investigated by electrospray ionization(ESI) ion trap mass spectrometry. The fragmentation pathways of [ M + Na]^+ and [ M - H]^- ions are proposed and rationalized. The observation may have some potential applications in the interpretation of the MS/MS spectra of novel N-phosphoryl compounds. The complexity of MS/MS spectra of EPP-AA [ M + Na]^+ ions is decreased compared with that of N-dialkyloxyphosphoryl amino acid. Therefore, the new phosphonamidate method may be considered one of the superior methods that can be used in sequencing peptides and proteins extensively.展开更多
The mass dependence of critical parameters for the liquid-gas phase transition and multiplicity of intermediate mass fragment in the heavy ion reaction is qualitatively explored under the framework of lattice gas mode...The mass dependence of critical parameters for the liquid-gas phase transition and multiplicity of intermediate mass fragment in the heavy ion reaction is qualitatively explored under the framework of lattice gas model.Some results are compared with experimental data.展开更多
Gas chromatography/mass spectrometry (GC/MS) can only analyze volatile molecular compounds, and it has limitations when applied to determine the complex components of crude oils and hydrocarbon source rocks. Based o...Gas chromatography/mass spectrometry (GC/MS) can only analyze volatile molecular compounds, and it has limitations when applied to determine the complex components of crude oils and hydrocarbon source rocks. Based on Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) and GC/MS analyses, the molecular compositions of NSO compounds in extracts from the Permian Dalong Formation, Sichuan Basin and the Permian Lucaogou Formation, Junggar Basin in China were compared. Analyses of types of heteroatoms present (S~, $2, $3, OS, OS2, 02S, NS, and NOS compounds) suggest that marine shales from the Dalong Formation are mainly composed of carboxylic acids (02 com- pounds) with a high abundance of fatty acids, indicating a marine phytoplankton organic source. However, lacustrine shales from the Lucaogou Formation are dominated by pyrrolic compounds (N1 compounds) with abundant dibenzocar- bazole. It suggests that the organic source materials may be derived from lower aquatic organisms and lacustrine algae. Overall, FT-ICR-MS has potential for applications in analyses and determination of depositional environments and organic sources in petroleum geology.展开更多
The mass of <sup>168</sup>Dy is measured for the first time,using the two-proton pick-up reaction <sup>170</sup>Er(<sup>18</sup>O,<sup>20</sup>Ne)at an <sup>18<...The mass of <sup>168</sup>Dy is measured for the first time,using the two-proton pick-up reaction <sup>170</sup>Er(<sup>18</sup>O,<sup>20</sup>Ne)at an <sup>18</sup>O energy of 104 MeV.The products of the reaction are detected at the focal plane ofthe Q3D spectrometer.The mass excess of <sup>168</sup>Dy is found to be -58.56±0.14 MeV.展开更多
Thulium(Tm)atoms are resonantly ionized in a hot tube by stepwise excitations us-ing three dye lasers pumped by a series of copper vapor pulsed at a 10 kHz rate.The chemicalselectivity of the laser ion source is measu...Thulium(Tm)atoms are resonantly ionized in a hot tube by stepwise excitations us-ing three dye lasers pumped by a series of copper vapor pulsed at a 10 kHz rate.The chemicalselectivity of the laser ion source is measured as a function of temperature of the tubes made ofTa,Nb-Zr and TaC.The chemical selectivity rises from 50 to 10000 with decreasing tube temp-erature and strongly depends on the tube material.A chemical selectivity of about 10000 withhigh efficiencies is obtained with the Nb-Zr and TaC tubes.Such a laser ion source can be usedin on-line mass separator to obtain isobarically pure ion beams.展开更多
It is reported that two kinds of specific mass spectrometric fragmentations are generated from dissociations of the intermediates of both the ion-neutral complex and the proton-bound complex. Collision-induced dissoci...It is reported that two kinds of specific mass spectrometric fragmentations are generated from dissociations of the intermediates of both the ion-neutral complex and the proton-bound complex. Collision-induced dissociation, isotopic labelling, and semi-empirical AM1 calculations were used to investigate the formation mechanism of the ion of m/z 139 from ionized tetrahydroimidazole-substituted methylene beta-diketones and the unimolecular fragmentations pathway of 3-phenyl-1-butyn-3-ol upon electron impact.展开更多
Two variants of application of a transaxial mirror with stigmatic spatial time-of-flight focusing in the time-of-flight mass spectrometer have been considered. In the first variant, the transaxial mirror is used as an...Two variants of application of a transaxial mirror with stigmatic spatial time-of-flight focusing in the time-of-flight mass spectrometer have been considered. In the first variant, the transaxial mirror is used as an ion reflector in the ordinary scheme of the time-of-flight mass reflectron. In the second variant, the transaxial mirror simultaneously fulfills the function of the ion reflector and corrector of aberrations caused by the energy spread of ions in the package, formed by the ion source of the mass reflectron. The expressions defining the conditions of stigmatic spatial time-of-flight focusing in the transaxial mirror and the combined system consisting of an ion source and a mirror have been derived. The relationships between geometrical and electrical parameters of three- and four-electrode transaxial mirrors realizing these conditions have been obtained by numerical calculations.展开更多
The sequence analysis of peptides was performed by nano-electrospray ionization Fourier transform ion cyclotron resonance tandem mass spectrometry(Nano-ESI-FT-ICR-MSn) and several peptides were chosen as examples. W...The sequence analysis of peptides was performed by nano-electrospray ionization Fourier transform ion cyclotron resonance tandem mass spectrometry(Nano-ESI-FT-ICR-MSn) and several peptides were chosen as examples. With the aid of the collision induced dissociation(CID), FT-ICR provides not only precise mass/charge ratio, but also structure information of the selected peptides. The fragment ions were identified according to the observed molecular weights and peptide sequence was determined successfully. So Nano-ESI-FT-ICR-MSn is a useful tool for identification of the amino acid sequence of peptides with high confidence. Besides, a pathway for the dehydration of y ions without amino acids containing carboxylic acid under sustained off-resonance irradiation collision-induced dissociation(SORI-CID) condition was proposed.展开更多
The standards of plant toxins were separated by a C18 column with gradient elution with 0.1% formic acid/water (V/V) and 0.1% formic acid/acetonitrile (V/V) as mobile phase and acquired by ion mobility-quadrupole time...The standards of plant toxins were separated by a C18 column with gradient elution with 0.1% formic acid/water (V/V) and 0.1% formic acid/acetonitrile (V/V) as mobile phase and acquired by ion mobility-quadrupole time of flight mass spectrometry (IM-QTOF MS) in positive ion mode. A database of 308 plant toxins including retention time, collision cross-section (CCS) and its fragment ions was established. Honey dissolved in water or herbal beverage was extracted by acetonitrile and purified with PSA sorbent, and then acquired by ultrahigh-performance liquid chromatography IM-QTOFMS. The acquired data were processed by comparing with the database we established to confirm the target compounds. The average recoveries for samples at two levels ranged from 60.6% - 120.1%, with relative standard deviation (n = 6) less than 25%. The limit of quantitation for plant toxins ranged from 1 - 20 μg/kg. The developed screening method was used in determination of honey, herbal beverage and honey flavored tea beverage samples. The results showed that berberine was detected in one honey with 1 μg/kg and caffeine was present in some beverages with the concentration from 200 and 5500 μg/kg. This method could meet the requirement for rapid screening of plant toxins in honey and herbal beverage. It can be used for the quality control of honey and herbal beverage in enterprises or quality inspection departments. It also can be used in the rapid screening of food poisoning.展开更多
A new version of improved quantum molecular dynamics model that includes standard Skyrme interactions has been developed.Based on the new code,four commonly used parameter sets,SLy4,SkI2,SkM*and Gs are adopted in the ...A new version of improved quantum molecular dynamics model that includes standard Skyrme interactions has been developed.Based on the new code,four commonly used parameter sets,SLy4,SkI2,SkM*and Gs are adopted in the improved quantum molecular dynamics model and the isospin sensitive observables,namely isospin transport ratios,single and double ratios of the yields of neutrons and protons are investigated.The isospin transport ratios are strongly sensitive to the slope of symmetry energy,and are not very sensitive to the nucleon effective mass splitting.On the other hand,the high energy neutrons and protons yields ratios from reactions at different incident energies provide a good observable to the momentum dependence of nucleon effective mass splitting.By comparing our calculations with the data,we find that the constrained L value(the slope of density dependence of symmetry energy) is about ~46 MeV when the Skyrme type interaction is considered in transport models,and the isospin diffusion data prefer to mn*>mp*,but it is not a strong constraint with deep χ2minimum.展开更多
The distribution of stable isotopes and ions in precipitation in the Shule River Basin, northwestern China, were investigated to understand the regional water cycle and precipitation input to groundwater recharge. The...The distribution of stable isotopes and ions in precipitation in the Shule River Basin, northwestern China, were investigated to understand the regional water cycle and precipitation input to groundwater recharge. The study found that the mean annual concentrations of Ca2+, Na+, SO42-, CI-, Mg2+, NO3-, and K+ in the basin were lower than those in other arid areas of northwestern China. The average concentrations of ions in the lower reaches of the Shule River were higher than those in the upper reaches. The results showed that the main ionic concentrations decreased with the increase of precipitation amount, indicating that heavy precipitation cannot only wash crustal aerosols out of the atmosphere, but also create a dilution effect. CI- and Na+ in precipitation had a strong and positive correlation, suggesting a common origin for the two ions. However, the excess of Na+, combined with non-marine SO42- and NO3-, indicated that some ions were contributed by terrestrial origins. In the extremely arid regions of northwestern China, the evaporation process obviously changes the original relationship between δ2H and δ18O in precipitation, and leads to dexcess values 〈8‰. δ18O and temperature were significantly correlated, suggested that temperature strongly affected the characteristics of isotopes in the study area. The δ18O value indicates a dominant effect of westerly air masses and southwest monsoon in warm months, and the integrated influence of westerly and Siberian-Mongolian polar air masses in cold months. The d-excess values were generally lower in warm months than those in cold months, indicating that post-condensation processes played a significant role in the water cycle. The results provide reliable precipitation input information that can be used in future groundwater recharge calculations in the study area.展开更多
基金supported by National Natural Science Foundation of China(Nos.51972346,51932011,51802356,and 51872334)Innovation-Driven Project of Central South University(No.2018CX004).
文摘Rechargeable aqueous zinc-ion batteries(AZIBs)have their unique advantages of cost efficiency,high safety,and environmental friendliness.However,challenges facing the cathode materials include whether they can remain chemically stable in aqueous electrolyte and provide a robust structure for the storage of Zn2+.Here,we report on H11Al2V6O23.2@graphene(HAVO@G)with exceptionally large layer spacing of(001)plane(13.36?).The graphene-wrapped structure can keep the structure stable during discharge/charge process,thereby promoting the inhibition of the dissolution of elements in the aqueous electrolyte.While used as cathode for AZIBs,HAVO@G electrode delivers ideal rate performance(reversible capacity of 305.4,276.6,230.0,201.7,180.6 mAh g?1 at current densities between 1 and 10 A g?1).Remarkably,the electrode exhibits excellent and stable cycling stability even at a high loading mass of^15.7 mg cm?2,with an ideal reversible capacity of 131.7 mAh g?1 after 400 cycles at 2 A g?1.
文摘ccording to the chemical bond theory we designed geometric structures ofcluster ions Nb_nS generated by laser ablation and calculated their electronic struc-tures using DV-X_a method of quantum chemistry. The results show that with theincrease of the cluster size the structures of the cluster ions change from a single-chain to a double-chain, then to a planar-net, and linking up to a net at Nb_3. Thenegative cluster ions tend to form a divergent configuration due to the extra chargeson it.
文摘The kinetics of ion exchange between Ca2+, Mg2+, Co(Ⅱ), Cu(Ⅱ),Ni(Ⅱ), Fe(Ⅲ), y3+ or Sm3+ , respectively, in 0.50 mol/L HC1 and H+ on macrorecticular sulfonic ion exchange resin and the kinetics of the same reactions (M -H exchange) when Mn(Ⅱ) coexisted in resin phase as accelerating ion were studied. The accelerating effect manifested and its rule are consistent with the accelerating effect theory based on the concept concerned with adsorption electrical double layer which has been suggested in a previous paper published.
文摘The analysis of hexavalent chromium, Cr(VI), in soil and sediment samples has been predominantly carried out in materials containing elevated levels. Reliable analysis of trace-level of Cr(VI) in sediment samples remains challenging. Cr(VI) analyses with multipoint calibration and speciated isotope dilution (SID) adapted from U.S. EPA method 6800 were used to measure lower-level Cr(VI) on an ion chromatograph coupled with a tandem mass spectrometer (IC-MS/MS). Lake sediment samples were collected from various locations in Northern Ontario and Cr(VI) was extracted using both alkaline digestion and ethylene diaminetetraacetic acid (EDTA) extraction. Certified reference materials were extracted and analyzed by IC-MS/MS and UV-VIS detection. The SID-MS approach allowed for the quantification of Cr(VI) in samples with concentration levels below 0.5 μg.g-1 wet weight.
文摘The present study employed an imaging mass spectrometry (IMS) method to evaluate the effect of dietary n – 3 fatty acids on the fatty acid composition in rat brain. Rats were divided into two groups and fed either an n – 3 fatty acid-deficient or adequate diet. We determined the decreased n – 3 fatty acids in the hippocampus of rats fed an n – 3 fatty acid-deficient diet compared to the control. IMS visualization was achieved at a resolution of 100 m in rat brain, and showed decreased docosahexaenoic acid (DHA)-containing phosphatidyl choline (PC) or phosphatidyl ethanolamine (PE) in the hippocampus of rats fed an n – 3 fatty acid-deficient diet.
文摘Mass spectrometry is an essential part of ion implantation. Therefore, in order to guarantee beam purity avoiding contamination of the implanted samples, a system was developed for the high current implanter at the Laboratory of Accelerators and Radiation Technologies (LATR) at the Instituto Superior Técnico. The system presented and discussed in this paper was developed using a LabVIEW code and uses a PC to control and display the mass spectrum. It also permits to save all data acquired for posterior analysis. In order to show some capabilities of this system, some experimental results are presented.
文摘A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory,and verified in the NaCl-KCl-H2O ternary system at 298.15 K. To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions,the mass action concentrations of components in the NaCl-H2O binary strong electrolyte aqueous solution were also computed at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activity because they were obtained at different standard states and concentration units. The results show that the transformation coefficients between calculated mass action concentrations and reported activities of the same components change in a very narrow range. The calculated mass action concentrations of components in the NaCl-H2O and NaCl-KCl-H2O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions,and the mass action concentration also strictly follows the mass action law.
文摘Tartaric acid, oxalic acid, glucose, and fructose are highly important compounds. A comprehensive study of these substances is fascinating from a scientific perspective. They are key components found in wine, vegetables, and fruits. Understanding the isotopic compositions in organic compounds is crucial for comprehending various biochemical processes and the nature of substances present in different natural products. Tartaric acid, oxalic acid, glucose, and fructose are widely distributed compounds, including in vegetables and fruits. Tartaric acid plays a significant role in determining the quality and taste properties of wine, while oxalic acid is also prevalent but holds great interest for further research, especially in terms of carbon isotopic composition. We can unveil the mechanisms of processes that were previously impossible to study. Glucose and fructose are the most common monosaccharides in the hexose group, and both are found in fruits, with sweeter fruits containing higher amounts of these substances. In addition to fruits, wheat, barley, rye, onions, garlic, lentils, peppers, dried fruits, beans, broccoli, cabbage, tomatoes, and other foods are also rich sources of fructose and glucose. To determine the mass fraction of the carbon-13 isotope in these compounds, it is important to study their changes during natural synthesis. These compounds can be modified with a carbon center. According to the existing isotopic analysis method, these compounds are converted into carbon oxide or dioxide [1]. At this point, the average carbon content in the given compound is determined, but information about isotope-modified centers is lost. Dilution may occur through the transfer of other carbon-containing organic compounds in the sample or by dilution with natural carbon or carbon dioxide during the transfer process. This article discusses the possibility of carbon-13 isotope propagation directly in these compounds, both completely modified and modified with individual carbon centers. The literature provides information on determining carbon-13 substance in organic compounds, both with a general approach and for individual compounds [2] [3].
基金Supported by the Education Department of Henan Province(No. 200510459015).
文摘The positive and negative ESI-MS/MS spectra of N-ethoxy(phenyl) phosphoryl amino acids(EPP-AA) were investigated by electrospray ionization(ESI) ion trap mass spectrometry. The fragmentation pathways of [ M + Na]^+ and [ M - H]^- ions are proposed and rationalized. The observation may have some potential applications in the interpretation of the MS/MS spectra of novel N-phosphoryl compounds. The complexity of MS/MS spectra of EPP-AA [ M + Na]^+ ions is decreased compared with that of N-dialkyloxyphosphoryl amino acid. Therefore, the new phosphonamidate method may be considered one of the superior methods that can be used in sequencing peptides and proteins extensively.
基金Supported by the National Natural Science Foundation for Distinguished Young Scholar under Grant No.19725521 National Natural Science Foundation under Grant No.19705021Science and Technology Development Foundation of shanghai under Grant No.97QA
文摘The mass dependence of critical parameters for the liquid-gas phase transition and multiplicity of intermediate mass fragment in the heavy ion reaction is qualitatively explored under the framework of lattice gas model.Some results are compared with experimental data.
基金supported by the National Natural Science Foundation of China (Grant No. 41672117)Shandong Provincial Key Laboratory of Depositional Mineralization and Sedimentary Minerals (Project No. DMSM201413)Hubei Provincial Natural Science Foundation of China (Project No. 2017CFA027)
文摘Gas chromatography/mass spectrometry (GC/MS) can only analyze volatile molecular compounds, and it has limitations when applied to determine the complex components of crude oils and hydrocarbon source rocks. Based on Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) and GC/MS analyses, the molecular compositions of NSO compounds in extracts from the Permian Dalong Formation, Sichuan Basin and the Permian Lucaogou Formation, Junggar Basin in China were compared. Analyses of types of heteroatoms present (S~, $2, $3, OS, OS2, 02S, NS, and NOS compounds) suggest that marine shales from the Dalong Formation are mainly composed of carboxylic acids (02 com- pounds) with a high abundance of fatty acids, indicating a marine phytoplankton organic source. However, lacustrine shales from the Lucaogou Formation are dominated by pyrrolic compounds (N1 compounds) with abundant dibenzocar- bazole. It suggests that the organic source materials may be derived from lower aquatic organisms and lacustrine algae. Overall, FT-ICR-MS has potential for applications in analyses and determination of depositional environments and organic sources in petroleum geology.
基金The project supported by the Nuclear Industry Science Foundation of China
文摘The mass of <sup>168</sup>Dy is measured for the first time,using the two-proton pick-up reaction <sup>170</sup>Er(<sup>18</sup>O,<sup>20</sup>Ne)at an <sup>18</sup>O energy of 104 MeV.The products of the reaction are detected at the focal plane ofthe Q3D spectrometer.The mass excess of <sup>168</sup>Dy is found to be -58.56±0.14 MeV.
基金The project supported by Chinese Academy of Sciences
文摘Thulium(Tm)atoms are resonantly ionized in a hot tube by stepwise excitations us-ing three dye lasers pumped by a series of copper vapor pulsed at a 10 kHz rate.The chemicalselectivity of the laser ion source is measured as a function of temperature of the tubes made ofTa,Nb-Zr and TaC.The chemical selectivity rises from 50 to 10000 with decreasing tube temp-erature and strongly depends on the tube material.A chemical selectivity of about 10000 withhigh efficiencies is obtained with the Nb-Zr and TaC tubes.Such a laser ion source can be usedin on-line mass separator to obtain isobarically pure ion beams.
文摘It is reported that two kinds of specific mass spectrometric fragmentations are generated from dissociations of the intermediates of both the ion-neutral complex and the proton-bound complex. Collision-induced dissociation, isotopic labelling, and semi-empirical AM1 calculations were used to investigate the formation mechanism of the ion of m/z 139 from ionized tetrahydroimidazole-substituted methylene beta-diketones and the unimolecular fragmentations pathway of 3-phenyl-1-butyn-3-ol upon electron impact.
文摘Two variants of application of a transaxial mirror with stigmatic spatial time-of-flight focusing in the time-of-flight mass spectrometer have been considered. In the first variant, the transaxial mirror is used as an ion reflector in the ordinary scheme of the time-of-flight mass reflectron. In the second variant, the transaxial mirror simultaneously fulfills the function of the ion reflector and corrector of aberrations caused by the energy spread of ions in the package, formed by the ion source of the mass reflectron. The expressions defining the conditions of stigmatic spatial time-of-flight focusing in the transaxial mirror and the combined system consisting of an ion source and a mirror have been derived. The relationships between geometrical and electrical parameters of three- and four-electrode transaxial mirrors realizing these conditions have been obtained by numerical calculations.
基金Supported by the National Natural Science Foundation of China(No.20675079)
文摘The sequence analysis of peptides was performed by nano-electrospray ionization Fourier transform ion cyclotron resonance tandem mass spectrometry(Nano-ESI-FT-ICR-MSn) and several peptides were chosen as examples. With the aid of the collision induced dissociation(CID), FT-ICR provides not only precise mass/charge ratio, but also structure information of the selected peptides. The fragment ions were identified according to the observed molecular weights and peptide sequence was determined successfully. So Nano-ESI-FT-ICR-MSn is a useful tool for identification of the amino acid sequence of peptides with high confidence. Besides, a pathway for the dehydration of y ions without amino acids containing carboxylic acid under sustained off-resonance irradiation collision-induced dissociation(SORI-CID) condition was proposed.
文摘The standards of plant toxins were separated by a C18 column with gradient elution with 0.1% formic acid/water (V/V) and 0.1% formic acid/acetonitrile (V/V) as mobile phase and acquired by ion mobility-quadrupole time of flight mass spectrometry (IM-QTOF MS) in positive ion mode. A database of 308 plant toxins including retention time, collision cross-section (CCS) and its fragment ions was established. Honey dissolved in water or herbal beverage was extracted by acetonitrile and purified with PSA sorbent, and then acquired by ultrahigh-performance liquid chromatography IM-QTOFMS. The acquired data were processed by comparing with the database we established to confirm the target compounds. The average recoveries for samples at two levels ranged from 60.6% - 120.1%, with relative standard deviation (n = 6) less than 25%. The limit of quantitation for plant toxins ranged from 1 - 20 μg/kg. The developed screening method was used in determination of honey, herbal beverage and honey flavored tea beverage samples. The results showed that berberine was detected in one honey with 1 μg/kg and caffeine was present in some beverages with the concentration from 200 and 5500 μg/kg. This method could meet the requirement for rapid screening of plant toxins in honey and herbal beverage. It can be used for the quality control of honey and herbal beverage in enterprises or quality inspection departments. It also can be used in the rapid screening of food poisoning.
基金Supported by National Natural Science Foundation of China(NSFC) projects (Nos.11075215,10875031,11005022,11005155 and 11275052)973 Program of China(No.2013CB834404)National Science Foundation(Grants No.PHY-0606007)
文摘A new version of improved quantum molecular dynamics model that includes standard Skyrme interactions has been developed.Based on the new code,four commonly used parameter sets,SLy4,SkI2,SkM*and Gs are adopted in the improved quantum molecular dynamics model and the isospin sensitive observables,namely isospin transport ratios,single and double ratios of the yields of neutrons and protons are investigated.The isospin transport ratios are strongly sensitive to the slope of symmetry energy,and are not very sensitive to the nucleon effective mass splitting.On the other hand,the high energy neutrons and protons yields ratios from reactions at different incident energies provide a good observable to the momentum dependence of nucleon effective mass splitting.By comparing our calculations with the data,we find that the constrained L value(the slope of density dependence of symmetry energy) is about ~46 MeV when the Skyrme type interaction is considered in transport models,and the isospin diffusion data prefer to mn*>mp*,but it is not a strong constraint with deep χ2minimum.
基金supported by the National Natural Science Foundation of China(41271039)the Open Foundation of Key Laboratory of Western China’s Environmental System(Ministry of Education)Lanzhou University and the Fundamental Research Funds for the Central Universities(lzujbky-2015-bt01)
文摘The distribution of stable isotopes and ions in precipitation in the Shule River Basin, northwestern China, were investigated to understand the regional water cycle and precipitation input to groundwater recharge. The study found that the mean annual concentrations of Ca2+, Na+, SO42-, CI-, Mg2+, NO3-, and K+ in the basin were lower than those in other arid areas of northwestern China. The average concentrations of ions in the lower reaches of the Shule River were higher than those in the upper reaches. The results showed that the main ionic concentrations decreased with the increase of precipitation amount, indicating that heavy precipitation cannot only wash crustal aerosols out of the atmosphere, but also create a dilution effect. CI- and Na+ in precipitation had a strong and positive correlation, suggesting a common origin for the two ions. However, the excess of Na+, combined with non-marine SO42- and NO3-, indicated that some ions were contributed by terrestrial origins. In the extremely arid regions of northwestern China, the evaporation process obviously changes the original relationship between δ2H and δ18O in precipitation, and leads to dexcess values 〈8‰. δ18O and temperature were significantly correlated, suggested that temperature strongly affected the characteristics of isotopes in the study area. The δ18O value indicates a dominant effect of westerly air masses and southwest monsoon in warm months, and the integrated influence of westerly and Siberian-Mongolian polar air masses in cold months. The d-excess values were generally lower in warm months than those in cold months, indicating that post-condensation processes played a significant role in the water cycle. The results provide reliable precipitation input information that can be used in future groundwater recharge calculations in the study area.