基质辅助激光解吸电离飞行时间质谱技术研究人血清转铁蛋白稳定性及裂解产物

制备质谱纯人血清转铁蛋白(HTF),供分子结构分析。选用SDS-PAGE、胶外酶解、基质辅助激光解吸/电离质谱技术(MALDI-TOF)、数据库检索和比对技术鉴定铁饱和HTF、双铁HTF(HTF-2Fe3+)、单铁HTF(HTF-Fe3+)和脱铁HTF(apoHTF)的稳定性和裂解产物。以乙腈溶液作为洗脱相,发现铁饱和HTF在RP-HPLC分离纯化过程中产生裂解现象。铁饱和HTF和HTF-2Fe3+经乙腈处理后均能产生不同分子量的短肽裂解产物,指出HTF结构稳定性与络合铁离子数量有关。铁组分改善了HTF分子结构的稳定性。采用比对法,研究在乙腈作用下HTF裂解成为各种各样短肽的规律,初步阐明其裂解机理。在乙腈作用下,HTF可能通过蛋白质去折叠途径,形成不同多聚态HTF或多肽裂解产物。推测目前用于临床诊断先天性糖基化紊乱(CDG)和慢性酒精滥用(CAA)疾病低准确率的起因可能是受HTF裂解产物或多聚体的干扰

质谱技术研究海兔大脑神经节超微量多肽内切酶和酸性多肽酶解产物

采用ESI-Q-TOF质谱分析了由27个氨基酸残基组成的酸性多肽(AP)的一级结构。选用RP-HPLC和MALDI-TOF质谱非在线技术分离与鉴定海兔大脑神经节(CG)多肽与蛋白质的组成与分布,发现CG中含有AP酶解的二聚体短肽。这些短肽序列分别为2(NKDEEQRELLKAISNLL)、2(NKDEEQRELLKAISNL)、2(SGVSLLTSNKDEEQREL)和2(LTSNKDEEQRE LL),均以L—R(氨基酸残基)方式断裂。以AP为探针,结合MALDI-TOF质谱分析技术,发现CG中含有超微量的L—R多肽内切酶,其分子量为78218·25Da。本研究中的分析方法也适合于研究其他生物体内超微量多肽及多肽酶分布与功能

Research on Contour Information Based Shape Matching Methods

识别和定位是计算机视觉的两项重要任务，识别是在图像中找到期望物体的过程；定位是确定物体位置与姿态的过程。识别与定位的依据是物体的特征，包括颜色、纹理、结构、形状等，其中形状是常用的特征之一。形状匹配是实现物体识别和定位的重要方法，它作为计算机研究领域的热点问题之一，已有很长的研究历史，取得了很多重要的研究成果，并且已有部分成果取得了应用。尽管如此，由于形状匹配的复杂性，还存在尚未完全解决的理论问题，它目前仍然是计算机视觉领域的一个研究重点。本文对基于轮廓的形状匹配方法开展研究，具有重要的理论意义与实际应用价值。 形状匹配要考虑的因素很多，如物体是否为刚性物体、匹配的变换群、轮廓点集是否有序等。以实际的工程应用需求为背景，本文利用形状的轮廓信息，在不同条件下对匹配方法开展了研究： (1) 欧氏变换下基于启发式混合遗传的形状匹配方法 基于轮廓点梯度信息的形状匹配方法适用于各种形状的物体，但是需要全局遍历。由于梯度方向和物体的结构有关系，对于特定形状的物体，就可以结合合适的优化算法加快搜索速度，以避免耗时的全局遍历。图像的宽边缘特性使得利用梯度信息的匹配方法在最优解附近是局部上升的，因此可以通过爬山法等局部优化算法快速找到最优解。所以，对于杂乱场景下的直线型物体，研究如何利用这些特点设计避免遍历以加快搜索速度的方法。 (2) 相似变换下基于点对上下文直方图特征的形状匹配方法 由于轮廓段在遮挡和混乱的情况下是断开的，而之前的匹配方法通常要求模型轮廓段和检测图像中轮廓段对应或者用局部的容易受噪声影响的特征进行匹配，所以设计一种可以表达部分轮廓段的描述子是必要的。又柔性的物体通常是由独立的部分构成的，例如人体的头部、躯干和四肢，这些独立的部分构成一个类似于弹簧的模型。每个独立的部分是带形变的具有独立旋转平移缩放等变换的模型。利用这些独立部分的相互约束关系，可以构造一个轮廓段整合方案。针对上述问题，研究能够表达轮廓段特征的描述子，轮廓段整合方法，和基于两者的形状匹配方法。 (3) 仿射变换下基于多尺度积分特征的形状匹配方法 在有序点集闭合的情况下，形状可以表示为轮廓点构成的曲线，也可以表示为内部的区域。将多尺度积分不变量应用到仿射变换下，需要已知形状之间的仿射变换关系。由于利用特征点是计算仿射变换最直接的方法，而现有的方法存在着提取的特征点个数少或提取方法复杂的问题。针对上述问题，研究仿射变换下基于多尺度积分特征的形状匹配方法，包括 “基于凸包的特征点提取方法”，“基于各向异性高斯核的多尺度积分特征”和基于这两者的匹配方法。同时研究如何将形状之间的仿射变换降级为正交变换，然后直接利用多尺度积分特征进行匹配的方法。 (4) 射影变换下基于分层射影不变特征的形状匹配方法 由于共面二次曲线对存在着射影不变量，对轮廓上的点拟合二次曲线可以避免其它方法中特征点不稳定的问题，所以射影变换下的形状匹配可以利用共面二次曲线对的方法；对此，研究如何利用共面二次曲线对构成能够描述形状局部到全局信息的丰富特征。 本文针对不同条件下的形状匹配方法进行了研究，根据不同的应用需求，对速度和识别率分别进行了提升，丰富和补充了现有的形状匹配方法，具有一定的应用价值

Computer Simulation on Li-Insertion Routes Based on First-Principles

为了研究锂离子电池负极材料InSb的L i嵌入过程,使用基于密度泛函理论的第一原理赝势法,计算了L i离子电池非碳类负极材料InSb在L i嵌入时的125相不同情况下的总能、平衡体积和各相间转换的L i嵌入形成能及相对体积变化等,进而参考电压轮廓实验曲线,筛选出了中间经历两相的最可能的反应路径为L i+In4Sb4→L i1In4Sb4,2L i+L i1In4Sb4→L i3In4Sb4,9L i+L i3In4Sb4→L i12Sb4+4 In;中间经历三相的最可能的反应路径为L i+In4Sb4→L i1In4Sb4,2L i+L i1In4Sb4→L i3In4Sb4,4L i+L i3In4Sb4→L i7In3Sb4+In,5L i+L i7In3Sb4→L i12Sb4+3 In。计算了L i3Sb的晶格常数、总能等,讨论了其能带结构和电子态密度等性质。结果表明:随着L i嵌入到InSb中并生成L i3Sb,其体积略有膨胀,材料发生了由半导体性到金属性又到半导体性的转变。In order to study the process of Li intercalations in InSb,an Ab initio method with the first-principles pseudo potentials based on the density functional theory was used to calculate the total energies,the equilibrium volumes of Li intercalations in InSb in 125 possible cases,the formation energies and the relative volume changes during the material changed from one phase to another.Comparing with the experimental voltage profile curve,we show that the most favored intercalation route for undergoing two intermediate phase is Li+In_4Sb_4 →Li_1In_4Sb_4,2Li+Li_1In_4Sb_4 →Li_3In_4Sb_4,9Li+Li_3In_4Sb_4 →Li_(12) Sb_4+4In,and the most favored route for undergoing three intermediate is Li+In_4Sb_4 →Li_1In_4Sb_4,2Li+Li_1In_4Sb_4 →Li_3In_4Sb_4,4Li+Li_3In_4Sb_4 →Li_7In_3Sb_4+In,5Li+Li_7In_3Sb_4 →Li_(12)Sb_4+3In.The lattice constant and total energy of Li_3Sb was also calculated.The band structures,electronic density of states for Li_3Sb were also discussed.The result shows that the volume slightly expands from InSb to Li_3Sb.The material changed from semiconducting to metallic then again to semiconducting.福建省自然科学基金计划资助项目(E0410025

Lithium Extraction Properties in Anode Material Li_(2.5)Cu_(0.5)N for Lithium Ion Batteries

使用基于平面波展开的第一原理赝势法,计算了锂离子电池非碳基负极材料Li2.5Cu0.5N在各种脱锂量下的Li脱嵌形成能以及相应的体积变化,讨论了脱锂前后材料的电荷密度,电子状态密度等电子性质.计算表明,Li2.5Cu0.5N晶体中LiN层的锂的脱出能要比LiCu层的锂小得多,即LiN层中的锂更容易脱嵌.结果还表明,各种脱锂量的Li脱嵌能大致在-2.72~-4.08 eV/Li之间.当脱锂量小于30%,材料的体积变化较小,随着脱锂量的增大,材料的体积变化较大.The ab initio pseudopotential method with the plane wave expansion of the crystal wavefunction was employed to study the non-carbon-basing anode material Li_(2.5)Cu_(0.5)N for lithium ion batteries.The lithium deintercalation formation energies and the corresponding changes of crystal volumes under various amounts of lithium deintercalations are presented.The charge densities and the electronic density of states for the lithium extraction in Li_(2.5)Cu_(0.5)N are also discussed.The calculation results show that the Li extraction in the LiN layer is much easier than that in the LiCu layer.The deintercalation formation energies per lithium are around-2.72 eV to-4.08 eV for different amount of lithium extracted.The changes of volume are small for lithium extraction at <30%,however,the changes are large when the extractions are further increased.国家自然科学基金(10374076);; 福建省自然科学基金(E0410025)资

STUDY of ULTRAFINE CUBIC Ce_(0.5)Zr_(0.5)O_2 SOLID SOLUTION

以共沉淀法制备CE-zr-O固溶体,在液相反应阶段、干燥阶段和灼烧阶段分别采取快速喷射和加入表面活性剂、正丁醇共沸蒸馏脱水以及选择适当的灼烧温度等手段控制团聚体的生成.制得超细颗粒CE_(0.5)zr_(0.5)O_2固溶体.Xrd,TEM及比表面积等的测试结果表明,该催化剂是面心立方结构、较高比表面的超细颗粒.zr--(4+)掺杂较均匀的超细固溶体,其rAMAn光谱中晶格畸变带来的T_(2g)活性振动模式分裂谱峰较弱,说明晶体结构规整性较大.催化甲烷燃烧的活性测试结果也证实超细颗粒CE_(0.5)zr_(0.5)O_2固溶体的催化活性大于常规共沉淀法制备的催化剂.Ce-Zr-O solid solution was prepared by coprecipitation with control of agglomeration.Ce4+ and Zr4+ mixed solution was spurted into the precipitant of surfactant added in the stage of reaction of liquid phase.After elimination of water by means of heterogeneous azeotropic distillation process with n-butanol,the powder was calcined at different temperatures.The result mixed oxide is face-centered cubic analyzed by XRD.The solid solutions are fiberlike ultrafine particles from TEM pictures.The super-micro particles have larger specific surface than the particles prepared by common coprecipitation.In the Raman spectra,splitting peaks of t2g active vibration mode resulted by distorted lattice are weaker than the samples prepared by common coprecipitation process.Raman spec-troscopic research show that the crystal structure of the ultrafine solid solution has better degree of order and Zr4+ ion enters into the lattice more even.Super-micro powder of Ce0.5Zr0.5O2 solid solution is more active to catalyze the combustion of methane than the catalyst synthesized by common coprecipitation method

PREPARATION of La_2O-3-ZrO_2 OXIDE COMBUSTIONAL CATALYST WITH DEFECTIVE FLUORITE STRUCTURE

缺陷萤石型lA_2Q_3-zrO_2固溶体的催化燃烧活性受制备条件的影响,本文通过对其共沉淀前体的表面结构和热分解过程的分析,发现共沸蒸馏的办法可以有效地控制前体表面羟基的缩合过程,减少团聚,保持前体中金属离子均匀分散,为生成缺陷有序的烧绿石型的lA_2zr_2O_7复氧化物提供了可能,复合氧化物固溶体的表面阳离子配置情况与样品的催化氧化性能密切相关,软团聚前体的烧结产物对甲烷燃烧反应具有更高的催化活性。One of the most important factors which affect the catalytic performances of complex oxide used in catalytic combustion is the preparative process of samples.Combined with several spectrum techniques, the study on the thermal decomposing procedure of the coprecipated precursors illustrates that the catalytic activity of La2O3-ZrO2 composite oxide solid solution is intimately concerned with drying condition, due to the different crystallization therein.The codistillation involved n-butanol could keep the uniform distribution of metal cations in precursor intact, and facilitates acquiring the well-crystallized sample by following thermal treatment.These crystalline with regular lattice will supply more anion defects on the surface, which act as the active sites for the complete oxidation of hydrocarbon

Study on 3 typical salt resistant plants for island vegetation restoration

以3种海岛植被修复典型植物木麻黄（Casuarina equisetifolia）、夹竹桃（Nerium indicum）和台湾相思（Acacia confusa）为实验材料,通过对培养基质及植株叶片施加不同浓度的盐溶液,研究不同植物的耐盐能力,筛选耐盐树种.主要结论如下：（1）根据植株生长状况,木麻黄植株的根、叶均可耐受质量浓度3.0%的盐胁迫;夹竹桃植株可耐质量浓度1.0%以下的根系盐胁迫和质量浓度3.0%以下的叶片盐胁迫;台湾相思植株可耐浓度质量2.0%以下的根系盐胁迫和质量浓度0.6%以下的叶片盐胁迫;（2）综合研究结果显示,3种植株耐盐能力为木麻黄〉夹竹桃〉台湾相思;（3）植物的生长状态、成活率和株高增长率指标可以很好的指示植株受盐害程度及耐盐能力,可结合赋值法对区域植被耐盐能力进行简单快速的调查;（4）在土壤含盐量较高和受海洋飞沫影响较大的滨海地带开展植被修复时,推荐木麻黄为优先树种;但在土壤含盐量较低的干旱地带,推荐夹竹桃作为先锋品种.Casuarina equisetifolia,Nerium indicum and Acacia confuse were treated with Na Cl in greenhouse throughleaf surface spray and root system absorption,after which the plant status and growth rate were observed and measured. The results showed that：（ 1） according to the plant status,C. equisetifolia can hold a concentration of 3. 0%root-salt and leaf-salt,N. indicum can survive at 1. 0% concentration root-salt and 3. 0% concentration of leafsalt,A. confusa can sustain at concentration of 2. 0% root-salt and a concentration of 0. 6% leaf-salt.（ 2） The salt-resistant ability turns out to be weakening are C. equisetifolia,N. indicum and A. confuse.（ 3） The indexes of plant status,survival rate and growth rate of plant height can well indicate the effect of plant on salt stress,the assignment method can be used for a quick survey of vegetation salt-resistant ability;（ 4） C. equisetifolia is recommended as a priority species for the vegetation restoration in condition of saline soil and sea spray while N. indicum is taken as the pioneer in lower saline soil of drought area.国家海洋局公益性科研专项资助项目（201305009）;国家海洋局第三海洋研究所基本科研业务费专项基金资助项目（2014026）;厦门市科技计划资助项目（3502Z20161238

Study of exceed micro-endopeptidease and enzymolysis produces of acidic peptide from the Aplysia cerebral ganglion by mass spectrometry

Acidic peptide (AP) consisting of 27 residues of amino acids was synthesized by the peptide synthetic instrument, and its primary structure was further analyzed with electrospray ionization-Q-time of flight (ESI-Q-TOF) mass spectrometer. The composition and distribution of the peptides and proteome in Aplysia cerebral ganglion were separated and identified by a combined off-line technology of reversed phase-high performance liquid chromatography (RP-HPLC) and matrix-assisted laser desorption ionization (MALDI)-TOF mass spectrometry, respectively. A lot of enzymolysis produces of AP in cerebral ganglion(CG) were found, which showed a dipolymer molecular structure. It was noticed that the primary structure of these peptides were found to share a similar dipolymer structures with 2(NKDEEQRELLKAISNLL) 2 (NKDEEQRELLKAISNL), 2(SGVSLLTSNKDEEQREL), and 2(LTSNKDEEQRELL) and to have same L-R(amino acids) residues of bound split. Using a combined method of AP as an probe and MALDI-TOF mass spectrometry as a analytical technology, it was found that there was the exceed micro-endopeptidease for enzymolysis L-R bound of AP in CG, indicating that its molecular weight was 78218.25 Da. In addition, the analytical method described here is also fit for finding composition and distribution of the exceed micro-peptide and endo-peptidease in various organisms

Effects of Drought Stress on Morphological and Physiological Characteristics of Three Island Vegetation Restoration Plants

以海岛植被修复典型植物木麻黄（Casuarina equisetifolia）、台湾相思（Acacia confusa）和夹竹桃（Nerium indicum）2年苗为研究对象,在盆栽条件下持续干旱胁迫11周后复水6周,研究3种植物在实验过程中形态和生理生化指标的变化,比较3种植物的耐旱能力,为植被修复现场简易快速判断植物的需水情况提供参考.结果表明：1）3种植物对持续干旱胁迫的响应表观上首先表现为近根端（植株下部或老叶）开始出现少量干枯,随后蔓延到新叶,叶色开始变淡,叶部逐渐失水下垂卷曲,在临近死亡时则出现全株叶干黄、枯萎.2）3种植物的生长状态、叶部含水率、细胞膜透性和丙二醛含量与干旱胁迫程度均呈显著或极显著相关,野外条件下可根据植物的生长状态简易快速地判断植物受干旱胁迫情况,再根据细胞膜透性和丙二醛含量进一步辅助判断植物的需水情况.3）根据生长状态与相关生理生化指标综合判断,3种植物的耐旱性强弱为夹竹桃〉台湾相思〉木麻黄,分别可耐受11,8和4周的土壤干旱,在干旱缺水地带开展海岛植被修复时,可根据各植物耐旱能力相应延长浇水养护间隔时间,以提高水资源利用率.国家海洋局公益性科研专项（01305009）;厦门市科技计划项目（3502Z20161238）;厦门海洋研究开发项目（K171001）;国家海洋局第三海洋研究所基本科研业务费专项基金（016047,2014026