Methods for the Determination of Stable Isotopes of Carbon and Nitrogen Directly in Valine, Proline, Glutamine, and Glutamic Acid

Amino acids are very important compounds for the body and are involved in important functions that keep us healthy. Amino acids are essential components such as valine, proline, glutamine and glutamic acid. They can be synthesized either naturally or artificially. To examine the metabolism and regulate the synthesis process, compounds labeled with nitrogen or carbon isotopes need to be used. These isotopic compounds allow for more extensive research and enable studies that would otherwise be impossible. However, their use is dependent on the availability of simple, efficient methods for isotopic analysis. Currently, the determination of the atomic fraction of carbon and nitrogen isotopes is only possible through their conversion into molecular nitrogen or carbon monoxide or carbon dioxide. This leads to the loss of information about isotopic enrichment in specific centers of the molecule. This article explores a new direct approach to determining the atomic fraction of carbon and nitrogen isotopes in the isotope-modified or identical centers of these compounds. This method eliminates the transfer process and dilution due to nitrogen and carbon impurities. It is now possible to simultaneously determine the atomic fraction of nitrogen and carbon isotopes in the research substance. This method can be applied to amino acids, making it an effective tool for proposing new research methods. Several articles [1] [2] [3] have proposed similar methods for organic compounds and amino acids.

Gate/Geant4-based Monte Carlo simulation for calculation of dose distribution of 400 MeV/u carbon ion beam and fragments in water

The applications of carbon ion beam in tumor therapy have attracted more attention in recent years.Monte Carlo simulation is an important approach to obtain accurate radiotherapy parameters. In this work, a400 Me V/u carbon ion beam incident on water phantom was simulated with Gate/Geant4 tools. In methods, the authors set up a carbon ion beam source according to the experiment parameters of Haettner, defined the geometries and materials, set up the physics processes, and designed the means of information collection. In results,the authors obtained the longitudinal dose distribution, the lateral dose distribution, and the relative uncertainty of dose. The dose contributions of all kinds of fragments were calculated detailedly and compared with the Francis results. This work is helpful for people's understanding of the dose distributions produced by carbon ion beam and fragments in water. The simulation method is also significative for radiotherapy treatment planning of carbon ion beam, and it is easy to extend. For obtaining a special result, we may change the particle energy, particle type,target material, target geometry, physics process, detector,etc.

Projectile fragment emission in the fragmentation of 56Fe on Al,C,and CH2 targets

The emission angle distribution of projectile fragments(PFs)and the temperature of PF emission sources for fragmentation of 56Fe on polyethylene,carbon,and aluminum targets at the highest energy of 497 A MeV are investigated on the basis of corrected data,using a CR-39 plastic nuclear track detector.It is found that the average emission angle of PFs increases with the decrease in PF charge for the same target,and no obvious dependence of angular distribution on the mass of the target nucleus is found for the same PF.The cumulative squared transverse momentum distribution of PFs can be well represented by a single Rayleigh distribution.The temperature of PF emission sources is extracted from the distribution,and it is about 1.0-8.0 MeV and does not depend on the mass of the target for PFs with charges of 9≤Z≤25.

Investigation of Evaporated Fragments in Intermediate Energy Heavy Ion Collisions

The reactions induced by intermediate energy heavy ions are investigated.The evap-orated fragment multiplicity and excitation energy distributions are calculated and comparedwith the experimental data of the reaction Ar+Ag at 50 and 70 MeV/u.

Mass dependence of critical parameter and multiplicity of intermediate mass fragments in heavy ion reaction

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.

Specific Mass Spectrometric Fragmentations from the Dissociation of Intermediate Ion-Neutral Complexes

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 AMI calculations were used to investigate the formation mechanism of the ion of m/z 139 from ionized tetrahydroimidazole-substituted methylene β-diketones and the unimolecular fragmentations pathway of 3-phenyl-1-butyn-3-of upon electron impact.

Universal Behavior of Nuclear Fragmentation

We use the bond percolation model to study the multifragrnentation of197Au projectiles interact-ing with Cu target at a bombarding energy of 600 MeV/u.The charge observables and some of their dif-ferential distributions are analyzed.The theoretical results agree well with the experimental data ofALADIN collaboration.This indicates that the percolation model can describe reasonably the universal be-havior of nuclear fragmentation in nucleus-nucleus collisions.

Two-dimensional multiplicity fluctuation analysis of target residues in nuclear collisions

Multiplicity fluctuation of the target residues emitted in the interactions in a wide range of projectile energies from 500 A MeV to 60 A GeV is investigated in the framework of two-dimensional scaled factorial moment methodology.The evidence of non-statistical multiplicity fluctuation is found in 16 O-AgBr collisions at 60 A GeV,but not in 56 Fe-AgBr collisions at 500 A MeV,84 Kr-AgBr collisions at 1.7 A GeV,16 O-AgBr collisions at 3.7 A GeV and 197 Au-AgBr collisions at 10.7 A GeV.

The Distortion of Energy Deposit Distribution of (12)～C Ions in Water

The transport process of 12C ions in water was studied with SRIM code and Geant4 toolkit.The SRIM results indicate that the transverse diffusion of 12C ion beam causes distortion of energy deposit along the beam direction.The distortion becomes more notable as the trans-verse diffusion increases.The simulation results of Geant4 indicate that the influence of secondary fragments on energy deposit distribution would be the main factor causing the distortion in higher energy range.In the region adjacent to the beam line where the contribution from 12C ions domi-nates,the contributions from secondary fragments are ignorable.The further from the beam axis the region locates,the larger the contributions from secondary fragments,until the contributions from secondary fragments are ignorable.The further from the beam axis the region locates,the larger the contributions from secondary fragments,until the contributions from secondary frag-ments exceed that of 12C.Among all the secondary fragments,the contributions of H,He and B ions are mostly notable.It is also found that some positron-emitting secondary fragments could be very useful for position emitting tomography (PET).

Helium production from ^84Kr- and ^197Au-emulsion interactions at high energies

The properties of the relativistic helium fragments produced in interactions of 84 Kr at 1.8 A GeV and 197 Au at 10.7 A GeV in emulsion are investigated. The experimental results are compared with those obtained from various projectiles with emulsion collisions at different energies. It is found that the multiplicity distribution of helium projectile fragments (HPFs) is well described by the Koba-Nielsen-Olesen (KNO) scaling presentation. The second Mueller moment f 2 of the HPF multiplicity distribution is independent of the projectile energy for the same projectile, but it is dependent on the projectile mass number. The value of f 2 increases with the increase of projectile mass number A p . The negative value of f 2 , when A p < 69, means that the emission of HPFs is anticorrelated, but positive value of f 2 , when A p > 69, refers to that the emission of HPFs is correlated. The non-zero f 2 moment in this experiment implies the strong correlation existing between the HPFs.

天然橡胶、异戊橡胶和天然橡胶/异戊橡胶并用胶的鉴定方法

以丙酮为溶剂,对6种天然橡胶和2种异戊橡胶进行抽提,基于天然橡胶与异戊橡胶丙酮抽提浓缩液成分存在差异,选择了天然橡胶生胶、异戊橡胶生胶、天然橡胶硫化胶、异戊橡胶硫化胶和天然橡胶/异戊橡胶并用硫化胶定量分析内标物,此外还采用内标法对丙酮抽提浓缩液进行分析,从而建立了天然橡胶、异戊橡胶及天然橡胶/异戊橡胶并用胶的鉴定方法,最后将该方法应用于送检样品主体成分的鉴定。结果表明,角鲨烷可作为天然橡胶、异戊橡胶和天然橡胶/异戊橡胶并用胶定量分析的内标物;在优选的气相色谱-质谱联用定量分析检测条件下,通过定性分析天然橡胶中的γ-谷甾醇和γ-生育三烯酚,同时结合内标法定量分析硫化胶丙酮抽提浓缩液中特定抗氧剂的含量,可以测定天然橡胶/异戊橡胶并用胶中天然橡胶和异戊橡胶的并用比,其中以质荷比为296的特征碎片离子作为异戊橡胶SKI-3定量分析参照特征碎片离子的偏差为-5%;该鉴定方法对于送检样品主体成分的鉴定结果较好。

Reactivity of N-Methylidenemalonates of 3-Arylaminoindoles and p-Dimethylamino-N-Phenylaniline in the Course of Their Analysis by Electrospray Ionization Mass Spectrometry

The behavior of N-methylidenemalonates of 3-arylaminoindoles and p-dimetylamino-N-phenylanyline (M = ANa) was studied during their analysis with ESI mass spectrometer operated in negative (NI) and positive (PI) ion modes. Anions [A] and both [M + H]+ and [M + Na]+ were recorded under conditions of the NI-ESI and PI-ESI, respectively. The fragmentation processes of [A] and [M + H]+ were found that probably occurred as “insource collusion induced dissociation”. The main paths for [A] proved to be elimination of CO2 and breakage of the N-methylidenemalonate bond. A route [A]- - CO2 - ROH (R = Me or Et) was less expressed and occurred for the indolyl-containing compounds with the NH bond only. Experiments employing heavy water demonstrated the isotope exchange to occur involving the hydrogen atom of this bond. This and other facts evidenced that the last fragmentation included abstraction of just this atom. Quantum-chemical calculations allowed picking out a structure for the product ion from the possible ones. The calculations also indicated that the protonation of M occurred at the anionic oxygen atom of the malonate moiety. The fragmentation of [M + H]+ ions included elimination of two water molecules that was supported by their MS2 spectra. A common feature of the NI- and PI-ESI mass spectra was the presence of oligomeric ions, up to tetramers and trimers for the NI- and PI-ESI ones, respectively. The oligomers were formed by interaction of the corresponding ions with neutral molecules. When ions contained extra hydrogen atoms, they were introduced by hydrolysis.

两类大戟二萜的高分辨ESI-MS/MS质谱裂解规律及诊断离子解析

采用高分辨电喷雾串联质谱技术研究了15种大戟二萜的二级质谱裂解行为,总结了这些化合物的基本裂解规律并归纳了其诊断离子。所研究的二萜均为多酯类化合物,根据其二萜骨架的不同分为曼西烷型(化合物1~9)和前曼西烷型(化合物10~15)。研究结果发现,这些化合物先断裂酰氧基和/或脱水等得到二萜骨架离子,接着在骨架上发生裂解生成一系列特征的诊断离子,这些离子集中在m/z 200~320区域。化合物1~7的骨架离子为m/z 311(离子A)和m/z 293(离子B),化合物8~9的骨架离子为m/z 295(离子C)和m/z277(离子D),而化合物10~15的骨架离子为m/z 313(离子E)和m/z 295(离子F)。根据这些关键的诊断离子可以鉴别化合物的结构类型。此外,关键诊断离子丢失H_(2)O、HCHO、CO、C_(3)H_(4)和/或丙酮等中性分子,可分别证明前体离子存在羟基、四氢呋喃环、羰基、异丙烯基和/或CH3C(OH)CH3片段或官能团。上述诊断离子和特征的中性丢失既可表征这些化合物的化学结构,又有助于其它未知曼西烷型和前曼西烷型二萜的结构鉴定。

Recoil Momentum of Target Ions in Collisions of Ar^(6+)+CO_2 at Energies Below 300 eV/u

The collision dynamics and fragmentation process of molecule by highly charged ionimpact for single electron capture processes at the low energies below 1 keV/u were studied. Thecollision energy dependence of the recoil momentum was obtained experimentally and compared itwith those calculated by a theoretical model using a deflection function with polarization potential.A fairly good agreement between the measured and calculated results was reached. This suggeststhat the polarization potential plays a crucial role in the low-energy region.

Unimolecular Dissociation of H⁺<sub style="margin-left:-6px;">2n+1</sub>Hydrogen Clusters: Measured Cross Sections and Theoretically Calculated Rate Constants

In this paper, we studied the process of dissociation unimolecular of the evaporation of H+2n+1 hydrogen clusters according to size, using the Rice-Ramsperger-Kassel-Marcus (RRKM) theory. The rate constants k(E) were determined with the use of statistical theory of unimolecular reactions using various approximations. In our work, we used the products frequencies instead of transitions frequencies in the calculation of unimolecular dissociation rates obtained by three models RRKM. The agreement between the experimental cross section ratio and calculated rate ratio with direct count approximation seems to be reasonable.

钠离子化和质子化环肽类似物的碰撞裂解途径比较

近年来,环肽因其生物学功能和结构多样性受到广泛关注,但它们的结构鉴定比线性肽更困难。碰撞活化解离(CAD)质谱技术是分析环肽结构的重要手段。本工作通过电喷雾电离技术产生4种环肽类似物的钠离子化和质子化离子,并采用串联质谱进行研究。钠离子化和质子化离子的CAD谱图表现出较大差异,其中钠离子化复合物在测序方面优于质子化复合物。对于钠离子化复合物来说,钠离子与环内的主链羰基氧原子配位,其CAD谱图易于解析;而质子化复合物的CAD谱图存在多个平行的解离通道,比较复杂,并且这种复杂性与环肽类似物的官能团密切相关。结合2种复合物的CAD谱图,可以提供环肽类似物的互补信息,使其结构鉴定更加可靠。

氢迁移诱导碳氢分子碎裂动力学研究进展

氢迁移反应是最基本、最重要的化学反应之一,它的发生可诱发碳氢分子产生特殊的碎裂通道,表现出独特的动力学特征。近些年来,随着实验技术以及理论手段的发展,对碳氢分子解离中氢迁移过程背后微观物理机制的理解逐步深化完善。本文以参与碳氢分子解离的氢迁移过程为综述对象,简要介绍了研究氢迁移动力学的实验和理论方法,总结了当前对C_(2)H_(2)、C_(2)H_(4)以及C_(2)H_(6)等碳氢分子解离产生碳碳键对称/非对称断裂通道和H_(3)^(+)离子形成通道的机制的认识,并对后续研究内容作出展望。