5,6,7,4′-四羟基黄酮和5,6,7,4′-四甲氧基黄酮高分辨电喷雾串联质谱裂解规律对比研究

以5,6,7,4′-四羟基黄酮和5,6,7,4′-四甲氧基黄酮为例,运用高分辨电喷雾串联质谱在正离子模式下(HR-ESI-MS/MS)获得的碎片离子,根据一、二级质谱离子的精确质荷比,分别推导出两种黄酮可能的裂解途径,并比较多甲氧基、多羟基黄酮质谱裂解规律的异同。结果表明:在正离子模式下,5,6,7,4′-四羟基黄酮和5,6,7,4′-四甲氧基黄酮的一级质谱均可获得稳定的准分子离子。5,6,7,4′-四羟基黄酮的二级质谱碎片离子由准分子离子[M+H]+经RDA裂解及进一步脱水和(或)脱一氧化碳中性分子产生,直接由准分子离子脱水及一氧化碳中性分子获得的碎片离子丰度比较低;5,6,7,4′-四甲氧基黄酮二级质谱碎片即可由准分子离子[M+H]+直接经RDA裂解,还可先脱去乙烷或甲烷中性分子再经RDA裂解(1,3断裂)获得。此外,该化合物还有大量的碎片离子是由准分子离子[M+H]+分别经脱水、甲烷、乙烷或进一步脱甲基、一氧化碳而获得。两个化合物质谱碎片的比较结果表明,多甲氧基黄酮的二级质谱碎片裂解机制更复杂,碎片信息更丰富。该方法可为黄酮类化合物成分的快速定性分析提供支持,也可为黄酮类化合物体内代谢产物的LC-MS/MS鉴定提供依据。     

β-内酰胺类抗生素质谱裂解机理研究

采用电喷雾-四极杆-飞行时间串联质谱(ESI-Q-TOF-MS/MS)对3种头孢类和2种青霉素类药物的[M+Na]⁺ 裂解规律进行研究。头孢类药物[M+Na]⁺裂解可产生许多互补的碎片离子,1,3-H重排和retro-Diels-Alder (RDA)是其重要的裂解方式;青霉素类药物[M+Na]⁺裂解除了一些常规的中性分子丢失外,在氘代实验的基础上提出了比以往更合理的H₂S丢失途径,即1,5-H重排。本实验丰富了β-内酰胺类药物的质谱裂解途径,对应用质谱技术快速鉴定复杂体系中β-内酰胺类抗生素具有重要作用。     

ESI-Q-TOF-MS/MS研究N-取代邻苯二甲酰亚胺衍生物的裂解途径

为了研究N-取代邻苯二甲酰亚胺类衍生物的质谱裂解行为,应用电喷雾-四极杆-飞行时间串联质谱(ESI-Q-TOF-MS/MS),在正离子模式下研究了5种N-取代邻苯二甲酰亚胺衍生物的质谱裂解行为,并对其质谱裂解途径进行解析,为表征该类化合物提供了依据。实验发现该5种化合物具有相似的裂解途径,即丢失化合物母核N-羟基邻苯二甲酰亚胺,甲醇和CO等中性小分子。化合物1~4的特征离子为丢失N-羟基邻苯二甲酰亚胺和甲醇产生的离子;化合物5的特征离子为丢失N-羟基邻苯二甲酰亚胺产生的类似于卓鎓离子结构的离子,该特征离子继续丢失甲醇和CO,最后卓鎓离子继续开裂丢失一分子C₂H₂。     

1,2,4—三嗪类化合物的研究ⅩⅧ.——1,2,4—三嗪类化合物的质谱研究

本文对合成的四种新类型21个1,2,4—三嗪类化合物的质谱进行了研究。发现各种类型的1,2,4—三嗪类化合物具有各自不同的裂解方式。     

裂解同时烷基化气相色谱/质谱研究环氧酯树脂结构

采用裂解同时烷基化气相色谱-质谱联用技术对不同类型的环氧酯树脂进行分析研究(SPM-GC-MS)。以衍生化试剂四甲基氢氧化胺与样品同时入射,经高效毛细管气相色谱分离,质谱检测,可鉴定不同类型环氧酯树脂结构。较直接裂解-气相色谱-质谱联用技术,快速、准确、谱图直观、灵敏度高。     

哌嗪衍生物的质谱研究

通过高分辨质谱测定,研究六种哌嗪衍生物的质谱裂解机理。     

基于LTQ-Orbitrap高分辨质谱的骆驼蓬子中生物碱类成分鉴定及裂解途径分析

采用高效液相色谱-质谱（HPLC-MSⁿ）法分析骆驼蓬子甲醇提取物中的生物碱类成分。在正离子模式下,采用C18色谱柱,以乙腈0.5%氨水溶液为流动相进行梯度洗脱,LTQ-Orbitrap线性离子阱高分辨质谱解析多级质谱数据,并对成分进行定性分析。结果表明,从骆驼蓬子甲醇提取物中共鉴定出20种生物碱类成分,其中鸭嘴花酮碱葡萄糖苷、3-羟基-去氢骆驼蓬碱和鸭嘴花碱糖苷为首次从骆驼蓬子中鉴定得到;同时对路因碱、四氢哈尔明、鸭嘴花碱糖苷的质谱裂解途径进行分析,推测出一系列去氢骆驼蓬碱衍生物的裂解规律。该方法可为骆驼蓬子的化学成分和质量控制提供理论基础,也可为类似结构化合物的质谱裂解规律研究提供方法参考。     

甘草次酸及衍生物的质谱研究

本文用ＥＩ质谱、高分辨质谱及快原子轰击正、负离子质谱研究了７种甘草次酸衍生物的质谱裂解机理。     

碱性橙21、22和罗丹明B的多级质谱裂解规律探析

采用电喷雾离子阱多级质谱技术（ESI-MSⁿ）在正离子模式下（ESI+）对食品中常见的几种非法添加工业染料碱性橙21、22和罗丹明B进行裂解规律探析。分析了这3种染料从分子离子出发的多级质谱裂解碎片,发现此类化合物容易先失去Cl^-,形成N⁺离子;在电离源的轰击下,容易失去·CH₃和·CH₂CH₃;并且探析了碱性橙21、22和罗丹明B的多级质谱裂解规律。该质谱裂解规律有助于推断碱性工业染料及其类似物的结构特点和裂解规律,为此类化合物的快速鉴定提供依据。     

丙烯酮衍生物的质谱研究

本文报道采用低分辨及高分辨和电子轰击质谱和电子轰击－碰撞活化－质量分离离子动能谱测定了７种丙烯酮衍生物，对此类化合物的质谱裂解方式进行了讨论，并与典型的羟基查耳酮类化合物的质谱裂解规律进行了比较。     

Minimal Realization of Linear Graph Models for Multi-physics Systems

An engineering system may consist of several different types of components,belonging to such physical"domains"as mechanical,electrical,fluid,and thermal.It is t...     

INTEGRAL EQUATION METHOD＇S APPLICATION IN HOLE-EDGE STRESS OF COMPOSITE MATERIAL PLATE WITH DIFFERENT SHAPED HOLES

The strength of composite plate with different hole-shapes is always one of the most important but complicated issues in the application of the composite material. The holes will lead to mutations and discontinuity to the structure. So the hole-edge stress concentration is always a serious phenomenon. And the phenomenon makes the structure strength decrease very quickly to form dangerous weak points. Most partial damage begins from these weak points. According to the complex variable functions theory, the accurate boundary condition of composite plate with different hole-shapes is founded by conformal mapping method to settle the boundary condition problem of complex hole-shapes. Composite plate with commonly hole-shapes in engineering is studied by several complex variable stress fimction. The boundary integral equations are founded based on exact boundary conditions. Then the exact hole-edge stress analytic solution of composite plate with rectangle holes and wing manholes is resolved. Both of offset axis loadings and its influences on the stress concentration coefficient of the hole-edge are discussed. And comparisons of different loads along various offset axis on the hole-edge stress distribution of orthotropic plate with rectangle hole or wing manhole are made. It can be concluded that hole-edge with continuous variable curvatures might help to decrease the stress concentration coefficient; and smaller angle of outer load and fiber can decrease the stress peak value.     

Non-monotonic material contrast in scanning ion and scanning electron images

30 keV Ga⁺ focused ion beam induced secondary electron (iSE) imaging was used to determine the relative contrast between several materials. The iSE signal compared from C, Si, Al, Ti, Cr, Ni, Cu, Mo, Ag, and W metal layers does not decrease with an increase in target atomic number Z₂, and shows a non-monotonic relationship between contrast and Z₂. The non-monotonic relationship is attributed to periodic fluctuations of the stopping power and sputter yield inherent to the ion–solid interactions. In addition, material contrast from electron-induced secondary electron (eSE) and backscattered electron (BSE) images using scanning electron microscopy (SEM) also shows non-monotonic contrast as a function of Z₂, following the periodic behavior of the stopping power for electron–solid interactions. A comparison of the iSE and eSE results shows similar relative contrast between the metal layers, and not complementary contrast as conventionally understood. These similarities in the contrast behavior can be attributed to similarities in the periodic and non-monotonic function defined by incident particle–solid interaction theory.     

Application of Feature Extraction through Convolution Neural Networks and SVM Classifier for Robust Grading of Apples

This paper proposes a novel grading method of apples,in an automated grading device that uses convolutional neural networks to extract the size,color,texture,an...     

分布动态载荷识别的抗噪处理

针对正交多项式频域法在用多种响应对矩形薄板进行载荷识别中抗噪性较差的问题,综合运用平均法、矩阵预处理和奇异值截断法等方法对之进行改善,并引入空间映射的思想,将该方法的应用范围拓展为复杂的模型.利用仿真算例,证实了该方法具有较好的抗噪性.     

基于MELTAC-N平台的核电厂安全级DCS环网研究与测试

针对工程实践中环网通讯相关问题的处理缺乏理论基础及国产化安全级DCS平台的开发缺乏成熟经验借鉴问题,对基于MELTAC-N平台核电厂安全级DCS环网的软硬件实现进行了研究。提出了安全级DCS环网双环网冗余设计、光切换开关设计等硬件设计方法,以及以RPR协议为基础,采用全数据收发策略的软件设计方法。在CPR1000安全级DCS平台上对安全级DCS环网的可靠性及实时性进行了评价,并进行了容错能力、响应时间及响应时间稳定性测试验证实验。结果表明,基于MELTAC-N平台安全级DCS环网软硬件设计具有较好的容错能力及响应时间稳定性。     

Short-Term Relay Quality Prediction Algorithm Based on Long and Short-Term Memory

The fraction defective of semi-finished products is predicted to optimize the process of relay production lines, by which production quality and productivity ar...     

End-to-End Multiview Gesture Recognition for Autonomous Car Parking System

The use of hand gestures can be the most intuitive human-machine interaction medium.The early approaches for hand gesture recognition used device-based methods....     

The laboratory simulation of abrasive wear

Abrasive wear has long been recognised as one of the most potentially serious tribological problems facing the operators of many types of plant and machinery; several industrial surveys have indicated that wear by abrasion can be responsible for more than 50% of unscheduled machine and plant stoppages. Locating the operating point of a tribological contact in an appropriate operational ‚map’︁ can provide a useful guide to the likely nature and origins of the surface degradation experienced in use, though care must be exercised in choosing the most suitable parameters for the axes of the plot. Laboratory testing of materials and simulations of machine contacts are carried out for a number of purposes; at one level for the very practical aims of ranking candidate materials or surface hardening treatments in order of their wear resistance, or in an attempt to predict wear lives under field conditions. More fundamentally, tests may be aimed at elucidating the essential physical mechanisms of surface damage and loss, with the longer term aim of building an analytical and predictive model of the wear process itself. In many cases, component surface damage is brought about by the ingress of hard, particulate matter into machine bearing or sealing clearances. These may be running dry although, more usually, a lubricant or service fluid is present at the interface. A number of standardised wear test geometries and procedures have been established for both two- and three-body wear situations, and these are briefly described. Although abrasive wear is often modelled as following an ‚Archard’︁ equation (i.e. a linear increase in material loss with both load and time, and an inverse dependence on specimen hardness) both industrial experience and laboratory tests of particularly lubricated contacts show that this is not always the case: increasing the hardness differential in an abrasively contaminated lubricated pair may not always reduce the rate of damage to the harder surface.     

ANGULAR DISTORTION ALLOWABLE VALUE AND ASSESS METHOD OF WELD ON COKE TOWER

A graph as the new engineering method for estimate the safety of bulging deformation of coke tower is proposed. Through stresses analysis of circumferential weld of coke tower and comparing the stresses produced by pressure with heat stress of steady state, residual stress, bending stress produced by both itself weight and wind loads, it showed that the stresses produced by pressure on the angle distortion are the main factor of equivalent stress of the combined stress. After comparing four kinds of stress controlling conditions, the relation to stress with depth of angular distortion, grade of curvature of angular distortion and half of region of angular distortion has been inferred. Graph of deformation allowable value of coke tower for different condition by angular distortion and half of region of angular distortion has been plotted. The five steps for its engineering use have been explained. The lighter the grade of curvature is, the larger of bulge allowance, may be, and the bigger of depth of angular distortion may pose too. For the coke tower with a popular structure of Dg 5 400 mm×28 mm, the result by graph is nearly more than the result of two formulas formed by other research, the error is less than 7.0%. But, the graph can be easily applied to different size of angular distortion.