Dependence of Decamethylcyclopentasiloxane (DMCPS) Dissociation on Ionized Energy by Using Quadrupole Mass Spectrum

Dependence of decamethylcyclopentasiloxane （DMCPS） organosilicon dissociation on ionized energy in the energy range of 25 eV to 70 eV is investigated by using a quadrupole mass spectrometry. At the ionized energy below 55 eV, the dissociation of DMCPS is dominant. As the ionized energy is above 55 eV, the DMCPS dissociation achieves the maximum cross section, while the fragments from the DMCPS dissociation can further dissociate, which leads to a different ingredient of fragments. At the lower ionized energy of 25 eV, the main fragments are SiOC2H＋, SiCH＋, Si＋, O＋ and CH＋ ions, which shows an important effect on the SiCOH low-k film deposition.

Towards the understanding of 1^1 p1 meson mass spectrum

Based on the meson-meson mixing and Regge trajectory, this paper establishes the mass relations which can describe the mass spectrum of 1^1 P1 meson state. Using these mass relations, it obtains the mass of K1B, hi （1380） and hc（1P） to be 1358.5MeV, 1468 MeV and 3543.9 MeV, respectively. The results are compared with other theoretical results and should be tested by experiments in the future.

Vector Boson Mass Spectrum from Extra Dimension

Based on the mechanism for mass creation in the space-time with extradimensions proposed in our previous work, (arXiv: 1301.1405 [hep-th] 2013) we consider now the mass spectrum of vector bosons in extradimensions. It is shown that this spectrum is completely determined by some function of compactification length and closely related to the metric of extradimensions.

Mass Spectrum of Dirac Equation with Local Parabolic Potential

In this paper, we solve the eigen solutions to the Dirac equation with local parabolic potential which is approximately equal to the short distance potential generated by spinor itself. The energy spectrum is quite different from that with Coulomb potential. The mass spectrum of some bary-ons is similar to this one. The angular momentum-mass relation is quite similar to the Regge trajectories. The parabolic potential has a structure of asymptotic freedom near the center and confinement at a large distance. So, the results imply that, the local parabolic potential may be more suitable for describing the nuclear potential. The procedure of solving can also be used for some other cases of Dirac equation with complicated potential.

Screening and analysis of key active constituents in Guanxinshutong capsule using mass spectrum and integrative network pharmacology

Guanxinshutong capsule(GXSTC) is an effective and safe traditional Chinese medicine used in the treatment of cardiovascular diseases(CVDs) for many years. However, the targets of this herbal formula and the underlying molecular mechanisms of action involved in the treatment of CVDs are still unclear. In the present study, we used a systems pharmacology approach to identify the active ingredients of GXSTC and their corresponding targets in the calcium signaling pathway with respect to the treatment of CVDs. This method integrated chromatographic techniques, prediction of absorption, distribution, metabolism, and excretion, analysis using Kyoto Encyclopedia of Genes and Genomes, network construction, and pharmacological experiments. 12 active compounds and 33 targets were found to have a role in the treatment of CVDs, and four main active ingredients, including protocatechuic acid, cryptotanshinone, eugenol, and borneol were selected to verify the effect of(GXSTC) on calcium signaling system in cardiomyocyte injury induced by hypoxia and reoxygenation. The results from the present study revealed the active components and targets of GXSTC in the treatment of CVDs, providing a new perspective to enhance the understanding of the role of the calcium signaling pathway in the therapeutic effect of GXSTC.

Mass spectrum and strong decays of strangeonium in a constituent quark model

In this work we calculate the mass spectrum of strangeonium up to the 3D multiplet within a nonrelativistic linear potential quark model.Furthermore,using the obtained wave functions,we also evaluate the strong decays of the strangeonium states with the ^3P_0 model.Based on our successful explanations of the well established states φ(1020) , φ(1680) , h_1(1415) , f'_2(1525) ,and φ_3(1850) ,we further discuss the possible assignments of strangeonium-like states from experiments by combining our theoretical results with observations.It is found that some resonances,such as f_2(2010) and f_2(2150) ,listed by the Particle Data Group,and X(2062) and X(2500) ,newly observed by BESIII,may be interpreted as strangeonium states.The possibility of φ(2170) as a candidate for φ(3S) or φ(2D) cannot be excluded.We expect our results to provide useful references for looking for the missing s\bar{s} states in future experiments.

Sensitized photo-redox reaction——Ⅶ.The Synthesis,FAB mass spectrum,stationary absorption,emission,transient absorption spectra,redox potential of dihydroxy-tin(Ⅳ)-mesoporphyrin dimethyl ester and its sensitized photo-reduction of methyl viologen

In DMSO/water(4:1),photolysis of the dihydroxy-Sn(IV)-rnesoporphyrin dimethyl ester (SnP)/methyl viologen(MV^(2+))/ethylene diamine tetraacetic acid(EDTA)ternary system produces methyl viologen cation radical with a quantum yield of 0.67,much higher than that of systems with other metal complexes of rnesoporphyrin dimethyl ester.Neither EDTA nor MV^(2+) quenches the stationary fluorescence of SnP,implying that the reaction does not take place at the singlet state.With flash photolysis we obtain the T-T absorption spectrum of SnP(λ_(max)-440 nm).By following the decay of this absorption,the triplet life time of SnP is estimated to be 41 μs.The life time is related to the concentration of either MV^(2+) or EDTA.Good linear relationships are obtained by plotting τ_0/τ vs.the concentration of MV^(2+) or EDTA(Stern-Volmer plot),from which we determine the quenching constants:k_q(MV^(2+))=5.5×10~7 mol^(-7) s^(-1);kq(EDTA)=2.7×10~7 mol^(-1),s^(-1).The data suggests that upon photolysis of the above ternary system,both oxidative quenching and reductive quenching of the triplet state of the sensitizer are occurring.From the measured phosphorescence spectrum(λ_(max) 704nm)and the ground state redox potentials (E_(1/2)^(red)～-0.84V,E_(1/2)^(ox)～ Ag/AgCl,KCl(sat.)),we obtain the redox potential of triplet SnP to be E (P^+/P)～-0.33 V, E(P/P-)～+0.92 V.Matching this data with the redox potential of MV^(2+) and EDTA,we establish the fact that during the photolysis of the SnP/MV^(2+)/EDTA ternary system,both oxidative and reductive quenching are thermodynamically favorable processes.This is also the reason why the SnP sensitized reaction is much more efficient relative to other mesoporphyrin derivatives.

Spectrum-effect relationship between HPLC fingerprints and bioactive components of Radix Hedysari on increasing the peak bone mass of rat

The traditional Chinese medicine of Radix Hedysari plays an important role in invigorating gas for ascending, benefiting blood for promoting production of fluid, and promoting circulation for removing obstruction in collaterals, which is consistent with the principle of treatment for osteoporosis. This study is designed to investigate the bioactive components on increasing peak bone mass (PBM) by exploring the spectrum-effect relationship between chromatography fingerprints and effect. Multiple indicators are selected to evaluate the pharmacological activity. In fingerprints, 21 common peaks are obtained, five of which are identified. Furthermore, gray relational analysis (GRA) is a quantitative method of gray system theory and is used to describe the correlation degree of common peaks and pharmacological activities with relational value. 21 components are then divided into three different regions, of which ononin and calycosin play an extremely significant role in increasing PBM. In addition, factor analysis and hierarchical cluster analysis (HCA) are used to screen the optimal producing area for Radix Hedysari. This provides a comprehensive and efficient method to improve the quality evaluation of Radix Hedysari, confirming the bioactive components for PBM-enhancement and further develop its medicinal value.

铁路标准桥梁典型减隔震体系响应行为与谱分析方法

基于铁路标准桥梁3种典型减隔震设计体系,分析了结构的地震响应行为,重点研究了墩身质量的动力效应和减隔震体系的振型效应.结果显示:铁路标准桥梁墩身质量对桥墩的地震响应存在显著的动力效应,忽视该效应会导致墎顶位移和墎底弯矩的平均相对误差约达11%~32%,对主梁的地震位移影响较小,平均相对误差不超过5%;桥墩的地震响应主要受计算方向上的前2阶振型控制,其中第2阶振型以桥墩自振形态为主,振型阻尼可偏于安全地按结构阻尼比考虑;基于2阶振型效应的SRSS组合可以较好地考虑减隔震铁路标准桥梁的墩身质量动力效应,其预测墩底弯矩平均相对误差可下降至7.5%;AASHTO规范建议的多振型反应谱法适用于铁路标准桥梁典型减隔震体系的地震响应分析.

From Phenotypes to Molecules: Revolutionizing Gut Microbiota Identification Methods

The gut microbiota is a complex ecosystem composed of many bacteria and their metabolites.It plays an irreplaceable role in human digestion,nutrient absorption,energy supply,fat metabolism,immune regulation,and many other aspects.Exploring the structure and function of the gut microbiota,as well as their key genes and metabolites,will enable the early diagnosis and auxiliary diagnosis of diseases,new treatment methods,better effects of drug treatments,and better guidance in the use of antibiotics.The identification of gut microbiota plays an important role in clinical diagnosis and treatment,as well as in drug research and development.Therefore,it is necessary to conduct a comprehensive review of this rapidly evolving topic.Traditional identification methods cannot comprehensively capture the diversity of gut microbiota.Currently,with the rapid development of molecular biology,the classification and identification methods for gut microbiota have evolved from the initial phenotypic and chemical identification to identification at the molecular level.This review integrates the main methods of gut microbiota identification and evaluates their application.We pay special attention to the research progress on molecular biological methods and focus on the application of high-throughput sequencing technology in the identification of gut microbiota.This revolutionary method for intestinal flora identification heralds a new chapter in our understanding of the microbial world.

Unraveling the mechanism of malancao in treating ulcerative colitis:A multi-omics approach

BACKGROUND Malancao(MLC)is a traditional Chinese medicine with a long history of utilization in treating ulcerative colitis(UC).Nevertheless,the precise molecular mechanisms underlying its efficacy remain elusive.This study leveraged ultrahigh-performance liquid chromatography coupled with exactive mass spectrometry(UHPLC-QE-MS),network pharmacology,molecular docking(MD),and gene microarray analysis to discern the bioactive constituents and the potential mechanism of action of MLC in UC management.AIM To determine the ingredients related to MLC for treatment of UC using multiple databases to obtain potential targets for fishing.METHODS This research employs UHPLC-QE-MS for the identification of bioactive compounds present in MLC plant samples.Furthermore,the study integrates the identified MLC compound-related targets with publicly available databases to elucidate common drug disease targets.Additionally,the R programming language is utilized to predict the central targets and molecular pathways that MLC may impact in the treatment of UC.Finally,MD are conducted using AutoDock Vina software to assess the affinity of bioactive components to the main targets and confirm their therapeutic potential.RESULTS Firstly,through a comprehensive analysis of UHPLC-QE-MS data and public database resources,we identified 146 drug-disease cross targets related to 11 bioactive components.The Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analysis highlighted that common disease drug targets are primarily involved in oxidative stress management,lipid metabolism,atherosclerosis,and other processes.They also affect AGE-RAGE and apoptosis signaling pathways.Secondly,by analyzing the differences in diseases,we identified key research targets.These core targets are related to 11 active substances,including active ingredients such as quercetin and luteolin.Finally,MD analysis revealed the stability of compound-protein binding,particularly between JUNLuteolin,JUN-Quercetin,HSP90AA1-Wogonin,and HSP90AA1-Rhein.Therefore,this suggests that MLC may help alleviate intestinal inflammation in UC,restore abnormal lipid accumulation,and regulate the expression levels of core proteins in the intestine.CONCLUSION The utilization of MLC has demonstrated notable therapeutic efficacy in the management of UC by means of the compound target interaction pathway.The amalgamation of botanical resources,metabolomics,natural products,MD,and gene chip technology presents a propitious methodology for investigating therapeutic targets of herbal medicines and discerning novel bioactive constituents.

Determination of Carbon and Nitrogen Isotope Fractions in Tartaric Acid, Oxalic Acid, Glucose and Fructose—National Center of High Technologies of Georgia

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].

改进的高压气枪震源气泡物理模型及其应用

基于可压缩气泡动力学理论,建立改进的高压气枪震源气泡物理模型,其中考虑气枪气泡系统之间的物质输运效应、气液热传导等多种影响因素.改进模型的计算结果与实验数据吻合良好,且优于传统模型.在此基础上,本文分别探究了特征参数对单枪和双枪气泡动力学特性及流场压力波的影响规律.研究表明气枪开口方式是模拟压力波首脉冲的关键因素,但是对于后续的气泡溃灭脉动压力影响较小;气枪平移运动对气泡的影响可忽略不计;气枪非同步激发可在保证压力波低频段能量不降低的前提下,在一定程度上削弱高频段能量.本研究旨在为深海资源勘探新型气枪的设计提供参考.

亚铁活化过硫酸盐体系对水体溶解性有机质分子转化的影响

亚铁活化过硫酸盐(PS/Fe^(2+))高级氧化是修复有机污染水体的常用技术,在修复过程中会诱导水体中溶解性有机质(DOM)分子结构转变。为研究PS/Fe^(2+)体系中DOM的分子转化特性,选取腐殖酸(HA)、富里酸(FA)和天然有机质(NOM)3种不同种类的DOM为研究对象,利用光谱和高分辨率质谱对比分析了PS/Fe^(2+)反应前后DOM的理化特性和分子结构特征。结果表明:①与热或碱活化PS体系相比,PS/Fe^(2+)反应后DOM芳香度、分子数和分子量显著下降。②反应后,DOM中残留了含C、H和O的木质素和单宁类物质,去除了O/C<0.6的低氧化程度分子,生成了富含氮和硫的高氧化程度分子。③PS/Fe^(2+)体系去除了DOM中的不饱和态分子(49.3%~94.0%),生成饱和态物质的数量、类型因DOM种类表现出明显差异。研究显示,PS/Fe^(2+)体系在自由基氧化与络合作用的共同介导下显著增加了DOM的分子转化程度,进而可能影响共存污染物的环境行为。

茉莉酸调控马铃薯离体块茎发育的主要代谢物变化

【目的】茉莉酸(jasmonic acid,JA)是马铃薯块茎发育过程中重要调控激素之一,研究JA调控块茎发育机理将为块茎产量及品质性状形成提供重要理论基础。【方法】采用马铃薯离体匍匐茎作为供试材料,外源添加JA(0、0.5、5和50μmol·L^(-1))处理,分析JA诱导离体块茎表型形态、组织显微结构、碳水化合物积累及蛋白质组变化。【结果】随JA处理浓度升高,单个匍匐茎形成块茎数目、块茎直径及干鲜重、环髓区细胞面积、淀粉及可溶性糖含量在0.5和5μmol·L^(-1)JA处理后逐渐增加(P<0.05),而50μmol·L^(-1)JA处理后块茎直径及干鲜重、淀粉含量显著减少(P<0.05);脂氧合酶活性随JA浓度升高逐渐降低(P<0.05)。采用双向凝胶电泳(2-DE)和MALDI-TOF/TOF-MS质谱技术鉴定到JA调控块茎发育密切相关的35个差异表达蛋白质(P<0.05且差异表达倍数≥2.5倍),主要涉及生物能量与代谢(28.6%)、细胞防御(28.6%)、蛋白质生物合成与贮藏(11.4%)、信号转导(8.6%)、转录(8.6%)、未知功能(8.6%)和混杂(5.6%)。通过聚类分析将这些蛋白质差异表达模式聚为三类:第一类包括17个蛋白质,在0.5μmol·L^(-1)JA处理后下调表达,而在5μmol·L^(-1)JA处理后上调表达,主要参与生物能量与代谢、蛋白质生物合成与贮藏、信号转导、转录;第二类包括10个蛋白质,随JA浓度升高上调表达,主要参与细胞防御、生物能量与代谢、转录;第三类包括8个蛋白质,JA处理后均下调表达,主要参与生物能量与代谢、细胞防御、蛋白质生物合成与贮藏。【结论】低浓度JA(0.5和5μmol·L^(-1))主要通过诱导块茎环髓区细胞膨大、细胞内蔗糖及多糖积累、细胞防御能力来促进块茎形态建成,而高浓度JA(50μmol·L^(-1))则表现为抑制作用。

六种常用农药成分在茄子中残留降解动态

本研究旨在探索啶虫脒、噻虫胺、噻虫嗪、哒螨灵、联苯菊酯和高效氟氯氰菊酯在茄子中的残留降解动态,以支持食品安全和生态环境保护。通过气相色谱—三重四极杆质谱法和液相色谱—三重四极杆质谱法,检测了这些农药在茄子中的降解情况,并采用一级动力学模型拟合了降解曲线,得到了农药组分的半衰期。结果表明,农药残留降解受到农药种类、环境条件和作物种类等多重因素的影响,不同农药在茄子中的残留期有所差异。部分农药的降解需结合二级动力学模型进行深入分析,从而得到了新的拟合降解方程。本研究为茄子种植中农药的合理施用及减少农药残留提供了科学指导。

基于MassARRAY平台的人血小板抗原基因分型的质谱检测方法

目的:建立基于MassARRAY质谱iPLEX分析技术的人血小板抗原(human platelet antigen,HPA)基因分型方法。方法:通过文献检索HPA1-29W系统的单核苷酸多态性突变或缺失位点的信息,确定35个目的基因突变位点,按MassARRAY突变位点标示方法、引物设计固定格式和引物设计软件在线设计90条引物(正、反向扩增引物和延伸引物各30条),以12个插入HPA1-29W野生型和突变型序列的合成质粒以及50例已知HPA分型的献血者样本进行扩增和质谱检测,分析灵敏度、特异度和重复性,随机抽取15例样本的一代测序和质谱分型结果进行对比验证,建立检测方法。结果:基于MassARRAY平台的HPA基因分型的质谱检测方法与测序法检测结果相符合,灵敏度为100%,特异度为100%,重复性为100%。结论:成功建立基于MassARRAY平台的HPA1-29W系统的质谱分型方法,适合中国人群HPA分型,具有临床应用前景。

Establishing a protein expression profile database for the normal human pituitary gland using two-dimensional high-performance liquid chromatography combined with LTQ-Orbitrap mass spectrometry

In this study, we selected adult normal pituitary gland tissues from six patients during operations for pituitary microadenomas via the transsphenoidal approach for extended normal pituitary tissue resection around the tumor, and analyzed the protein expression of human normal pituitary using two-dimensional high-performance liquid chromatography combined with LTQ-Orbitrap mass spectrometry proteomics technology. The ten most highly expressed proteins in normal human pituitary were： alpha 3 type VI collagen isoform 5 precursor （abundance among tall pituitary proteins 1.30%）, fibrinogen beta chain preproprotein （0.99%）, vimentin （0.73%）, prolactin （0.69%）, ATP synthase, H~ transporting and mitochondrial F1 complex beta subunit precursor （0.52%）, keratin I （0.49%）, growth hormone （0.45%）, carbonic anhydrase I （0.40%）, heat shock protein 90 kDa I （0.31%）, and annexin V （0.30%）. Based on the biological function classifications of these proteins, the top three categories by content were neuroendocrine proteins （abundance among all pituitary proteins, 40.1%）, catalytic and metabolic proteins （28.3%）, and cell signal transduction proteins （9.8%）. Based on cell positioning classification, the top three categories were cell organelle （24.5%） membrane （20.8%）, and cytoplasm （13.0%）. Based on biological process classification, the top three categories of proteins are involved in physiological processes （42.9%）, cellular processes （40.4%）, and regulation of biological processes （9.1%）. Our experimental findings indicate that a protein expression profile database of normal human pituitary can be precisely and efficiently established by proteomics technology.

用MassLynx 4.1软件提取液相色谱质谱联用部分重叠色谱峰的质谱图

目的两个化合物A和X采用液相色谱质谱联用法实现部分分离,并形成部分重叠峰。尝试在不改变分离条件的情况下获得化合物X的"较纯的"质谱图。方法运用MassLynx 4.1软件的"谱图合并(Combine Spectra process)"功能,扣除化合物A的信号。结果与预期相符,所获得的质谱图明晰,提示X可能是A的脱氢类似物,后经验证,与A脱氢类似物纯品的质谱图一致。结论 Masslynx 4.1软件的"谱图合并"功能可以帮助分析者更容易地获得清晰的质谱信息,并有可能节省传统方法中优化色谱条件所花费的时间,是液相色谱质谱联用分析的有力工具。

基于TMD的大跨度斜拉桥风致随机振动控制研究

本文开展基于TMD的大跨度桥梁风致随机振动控制研究.建立了随机风荷载作用下桥梁—TMD系统随机振动响应分析的虚拟激励分析程序.提出了随机振动响应控制的TMD参数优化方法.以西固黄河大桥为背景,开展了实际桥梁的风致振动控制分析.结果表明:基于本文方法TMD参数优化后振动控制效率可提高近9倍,横向随机位移响应的控制效率可达到28.83%,横向随机加速度响应的控制效率可达到28.8%.