Structural OH in mantle-derived clinopyroxene megacrysts from Nushan

Thirteen clinopyroxene megacrysts from Nushan Cenozoic basalts have been investigated by Fourier transform infrared spectrometer(FTIR). The results demonstrate that all samples contain trace amount of structural OH. Clinopyroxenes from Nushan show four groups of absorption bands, in which, 3 472–3 506 cm⁻¹ is the major characteristic one. It is suggested that the position of major band is probably related to AI content: the position of major characteristic band for high-AI samples is around 3 470 cm⁻¹, whereas that for low-AI samples around 3 620 cm⁻¹.     

Chemical leaching of an Indian bituminous coal and characterization of the products by vibrational spectroscopic techniques

High volatile bituminous coal was demineralized by a chemical method. The vibrations of the "aromatics" structure of graphite, crystalline or non-crystalline, were observed in the spectra at the 1600 cm-1 region. The band at 1477 cm-1 is assigned as V_R band, the band at 1392 cm-1 as V_L band and the band at 1540 cm-1 as G_R band. Graphite structure remains after chemical leaching liberates oxygenated functional groups and mineral groups. The silicate bands between 1010 and 1100 cm-1 are active in the infrared (IR) spectrum but inactive in the Raman spectrum. Absorption arising from C-H stretching in alkenes occurs in the region of 3000 to 2840 cm-1. Raman bands because of symmetric stretch of water molecules were also observed in the spectrum at 3250 cm-1 and 3450 cm-1. Scanning electron microscopy analysis revealed the presence of a graphite layer on the surface. Leaching of the sample with hydrofluoric acid decreases the mineral phase and increases the carbon content. The ash content is reduced by 84.5wt% with leaching from its initial value by mainly removing aluminum and silicate containing minerals.     

基于支持矢量机的宫颈细胞分类

以宫颈癌细胞的分类检测为背景,针对帕普涂片检测有很高的假阴性率和检测结果不精确问题,采用支持矢量机对红外线光谱(FTIR)数据进行分类,以提高帕普涂片检测的精确度。以53个病例的帕普涂片检测和阴道镜活检结果做为原始数据,以阴道镜活检的结果作为正确样本,选择软间隔分类器和高斯核函数进行模型仿真,然后,使用留一法交叉验证来测试算法准确性,将支持矢量机的分类结果和帕普涂片检测的结果与正确样本进行比对。结果表明,使用支持矢量机的分类正确度达到72%。     

金黄色葡萄球菌细胞内生物大分子含量变化的光镊拉曼光谱研究

【目的】利用光镊拉曼光谱技术(Laser Tweezers Raman Spectroscopy,LTRS)研究金黄色葡萄球菌(Staphylococcus aureus)细胞内主要生物大分子含量的动态变化,探寻监测微生物代谢状态变化的有效工具。【方法】收集分批培养过程不同时间点金黄色葡萄球菌细胞的拉曼光谱,观察其特征峰依赖时间的变化特点。【结果】归属于核酸的特征峰,如667cm~(-1)峰,724cm~(-1)峰,781cm~(-1)峰,809cm~(-1)峰和1 574cm~(-1)峰在整个分批生长阶段持续降低,在对数生长期下降幅度尤其剧烈,反映了对数生长期细胞分裂快速,DNA复制活跃;与蛋白质相关的特征峰,如850cm~(-1)峰,1 001cm~(-1)峰和1 662cm~(-1)峰,在对数生长期显著增强,而到稳定期峰强度基本维持恒定。【结论】光镊拉曼光谱技术能实时监测生物样品内生物大分子的含量,是单细胞水平上研究微生物代谢状态变化的有效工具。     

The synthesis and characterisation of polyaniline catalysed and doped by squaric acid

Aniline was polymerized in dilute aqueous squaric acid and the polyaniline (PAn) was doped with 10⁻¹–10⁻³ mol/L of squaric acid. The corresponding electrical conductivity of the PAn is 10⁻¹–10⁻² S ⊙ cm⁻¹. The solubility of the doped PAn has been improved in common polar organic solvents. The FTIR and UV—Vis spectra show that the PAn has the structure of both quinone and imine. Supported by the National Natural Sciences Foundation of China Zhan Caimao: born in 1948, Associate professor     

酿酒酵母孢子萌发的激光镊子拉曼光谱研究

【目的】在生理状态下利用激光镊子拉曼光谱系统对单个酿酒酵母孢子萌发过程进行实时监测,探讨掩盖在群体平均信息下的个体生命信息。【方法】将葡萄糖溶液加入酿酒酵母孢子悬液中诱导孢子萌发,在孢子萌发过程中每隔30min取样并利用激光镊子拉曼光谱系统测定单个酵母孢子的拉曼光谱。【结果】单细胞实时平均拉曼光谱可显示孢子萌发过程中细胞内生物分子的变化:萌发期内分别归属于DNA、蛋白质的722cm-1,1006cm-1峰的峰高基本不变,随后在生长期上升明显,说明生长期胞内开始大量复制DNA,并合成蛋白质;归属脂类的1751cm-1峰的减弱趋势明显,可能是胞内脂类物质消耗造成的。整个萌发生长过程中,源自葡糖糖和海藻糖的858cm-1,908cm-1,1084cm-1,1118cm-1等峰强度先下降后上升,表明在适宜的生长条件下,海藻糖可能转化为单糖被细胞吸收利用,当营养物质逐渐被消耗时,细胞会再次累积海藻糖以抵抗外界不利条件。【结论】激光镊子拉曼光谱技术可反映胞内生物大分子的活动规律,获知单个酵母孢子萌发过程中物质变化的丰富信息,是探索单个活细胞实时生化变化的有效工具。     

Flexible dye-sensitized solar cell based on PCBM/P3HT heterojunction

Using blend heterojunction consisting of C60 derivatives [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) and poly(3-hexylthiophene) (P3HT) as charge carrier transferring medium to replace I3–/I– redox electrolyte,a novel flexible dye-sensitized solar cell (DSSC) is fabricated.The characterization of infrared spectra and ultraviolet-visible spectra shows that the PCBM/P3HT heterojunction has not only the absorption in ultraviolet light for PCBM,but also the absorption in visible and near infrared light for P3HT,which widens the photoelectric response range for DSSC.The influence of PCBM/P3HT mass ratio on the performance of the solar cell is discussed.Under 100 mW cm–2 (AM 1.5) simulated solar irradiation,the flexible solar cell achieves a lightto-electric energy conversion efficiency of 1.43%,open circuit voltage of 0.87 V,short circuit current density of 3.0 mA cm–2 and fill factor of 0.54.     

Hydroxyl in continental deep subduction zone: Evidence from UHP eclogites of the Dabie Mountains

Infrared spectra in the region of 3 000 to 4 000 cm⁻¹ have been measured by an FTIR spectrometer on minerals in UHP eclogites from the Bixiling and Shuanghe areas, the Dabie Mountains. It is shown that omphacite is the most important hydrous mineral (100–200 μg/g) in UHP eclogites. Garnet and quartz contain virtually no H₂O or OH. Accessory mineral rutile contains a significant amount of OH (>1 000 μg/g). Coesite gives no indication of the presence of OH but apparent H₂O bands. The results have considerable implications for existing forms and contents of hydroxyl in the continental deep subduction zone, the eastern Dabie Mountains.     

Laser cooling using anti-stokes fluorescence in Yb3+-doped fluorozirconate glasses

The fluorozirconate glasses ZBLANP (ZrF₄−BaF₂−LaF₃−NaF−PbF₂) doped with different Yb³⁺ concentration were prepared. The Raman spectra and absorption spectra are measured to substantiate the existence of phonon-assisted emission. After analyzing the normalized absorption spectra of samples with different Yb³⁺-doped concentration, we calculated the maximum cooling effect in the 3 wt% Yb³⁺-doped sample pumped at 1 012.5 nm. The corresponding cooling capability is about −4.09 °C/W and the cooling efficiency reaches 1.76%. Foundation item: Supported by the Key Science Foundation of Wuhan (9601P0223) Biography: Xu Tian-ming (1978-), female, Master candidate, research direction: information optics and nonlinear optics.     

Investigation of the interfacial water structure on poly[2-（dimethylamino）ethyl methacrylate] at the air/water interface by sum frequency generation vibrational spectroscopy

The effect of pH on the conformation of surface alkyl groups and the structure of interfacial water molecules on poly[2-(dime-thylamino)ethyl methacrylate](PDEM) at the air/water interface were investigated with sum frequency generation vibrational spectroscopy(SFG-VS).At pH 4.1,the hydrogen bonding SFG spectra were similar to that of the air/pure water interface.As the pH increased from 5.4 to 9.6,the SFG intensities of both highly ordered hydrogen bonding(3200 cm-1 band) and less-ordered hydrogen bonding(3400 cm-1 band) were enhanced because of the charge-induced effect of deprotonated PDEM.The free OH peak disappeared completely because it was replaced by interfacial PDEM molecules.At pH 11.5,a new spectral band appeared at about 3580 cm-1 in the ppp and sps spectra,and this could be assigned to the C2v asymmetric stretching mode of the water molecules through molecular symmetry simulation.These hydrogen bonding structures are fully consistent with the conformational change of PDEM alkyl groups,and PDEM molecules act as a Hofmeister solvent.PDEM molecules are kosmotropic when they are charged and become more chaotropic as the pH increases.     

大豆球蛋白的红外和Raman光谱分析

利用Fourier变换红外光谱(FTIR)和激光Raman光谱研究大豆球蛋白的结构, 并对大豆球蛋白的红外光谱和Raman光谱的特征峰进行指认, 计算Raman费米共振\%I\%850/830的比值. 结果表明: 红外光谱和Raman光谱的酰胺Ⅰ带去卷积和曲线拟合获得二级结构, 其中β 折叠结果差异较小, α 螺旋、 β 转角和
无规卷曲结果差异较大（p<0.05）; 红外光谱在1 618,1 682 cm^-1处的吸收峰归属于大豆球蛋白的分子间和分子内聚集, 拟合峰面积百分数分别为11.1%和9.5%; 包埋和外露的酪氨酸残基占酪氨酸残基总量的14%和86%.     

Raman spectroscopy of single quantum well wires

We used the micro-Raman spectroscopy to investigate the V-grooved quantum well wires (QWWs), and first observed and assigned the Raman spectra of single QWW. They were the disorder induced modes at 223 and 243 cm⁻¹, confined LO mode of GaAs QWW at 267 cm⁻¹, and higher order peaks of disorder induced modes at 488 and 707 cm⁻¹.     

Pollen flux and vertical dispersion in coniferous and deciduous broadleaved mixed forest in the Changbai Mountains

The pollen flux in coniferous and deciduous broadleaved mixed forest in the Changbai Mountains is presented in one year's experiments. The results indicate that arboreal pollen percentages are more than 65% and pollen flux is higher than 5000 grain·cm-2·a-1,while less than 2% and lower than 1000 grain·cm-2·a-1 for shrubby pollen,and less than 20% and lower than 3000 grain·cm-1·a-1 for herbaceous pollen for most samples at different heights. The pollen assemblages are similar to those in the samples under 8 m height where Pinus and Ouercus are dominant and followed by the few non-local pollen types,and Fraxinus percentages are high with a few non-local pollen types at 16 m to 32 m height as well as non-local pollen clearly increased at 40 m height. Comparisons between pollen assemblages and vegetation composition suggest that similarities are higher for pollen trap samples than for surface moss samples.     

Resonance-enhanced multiphoton ionization spectroscopy on the B′2Σ+ and B2Π states of NS

Resonance-enhanced multiphoton ionization （REMPI） spectra of N^32S and N^34S have been recorded in the range of 35700-40200 cm^-1. The radical was generated by a pulsed dc discharge of a mixture of SF6 and N2 under a supersonic free jet condition. All the 16 observed bands of N^32S radicals have been assigned, among which 12 bands belong to three transition progressions （v′=0-4, 0）, （v′=1-4, 1） and （v′=2-4, 2） from the X^2П ground state to the B′^2∑^＋ upper state and the rest correspond to （9, 0）, （10, 0）, （11, 0） and （12, 0） bands of B^2П-X^2П transition, respectively. Analysis of the rotationally resolved spectra yields exhaustive spectroscopic constants of both the X^2П ground state and the B′^2∑^＋ excited state. The electronic transition bands of the isotopic molecule N^34S have been rotationally analyzed for the first time and the rotational constants of the ground and upper states have been determined simultaneously.     

New Abnormal Cervical Cell Detection Method of Multi-Spectral Pap Smears

Considering the problem of traditional cervical cancer detection method that brings high false negative rate （FNR） and high false positive rate （FPR）, a new abnormal cervical cells detection method of multi-spectral Pap smear is proposed in this thesis, on the basis of multi-spectral microscopic imaging technology and computer automotive recognition technology. At first, image in a specific wave band is segmented according to the relationship between intensity and spectrum of each pixel. Then, multi-spectral features of each pixel are extracted making use of improved cosine correlation analysis （CCA） algorithm. Combined with the characteristic of each cell＇s area, final definition is made. Experiments have proved the new approach could identify abnormal cells efficiently as well as lower FNR and FPR.     

Temperature dependence of surface enhanced Raman scattering on C<Subscript>70</Subscript>

The temperature dependence of surface enhanced Raman scattering of the C70 molecule is reported. The Raman scattering of C70 molecules adsorbed on the surface of a silver mirror was measured at different temperatures. The experimental results indicate that the relative intensities of the Raman features vary with the temperature of the sample. When the temperature decreases from room temperature to 0℃, the relative intensifies of certain Raman bands decrease abruptly. If we like the strongest band 1565cm^-1 as a standard value 100, the greatest decrease approaches to 43%. However, with the further decrease in the temperature these relative intensities increase and resume the value at room temperature. And such a temperature dependence is reversible. Our results show that the adsorption state of the C70 molecules on the silver surface around 0℃ changes greatly with the temperature, resulting in a decrease in relative intensities for some main Raman features of C70 molecule. When the temperature is lower than 0℃, the adsorption state changes continually and more slowly. Synchronously, eight new Raman features, which have not ever been reported in fiterature, are observed in our experiment and this enriches the basic information of the vibrational modes for C70 molecule.     

针状纳米CaCO3的红外光谱分析

对用液相法制备的纳米CaCO3粉末分别用XRD,TEM,IR进行了表征.实验发现,制备的纳米CaCO3呈针状,且分散性较好,为六角晶系的方解石结构.纳米CaCO3粉末的三个IR吸收峰均存在不同程度的蓝移,其中以1 437.3 cm-1处的C-O伸缩振动吸收峰最为明显,达30cm-1.同时,此吸收峰还出现了宽频带强吸收现象.文中对纳米CaCO3粉末红外光谱的变化情况进行了详细的分析讨论.     

基底偏压对氮化硼薄膜场发射特性的影响

利用射频磁控溅射方法, 在n型（100）Si（0.008～0.02 Ω·m）基底上沉积了氮化 硼（BN）薄膜. 红外光谱分析表明, BN薄膜结构均为六角BN（h-BN）相. 在超高真空系统中 测量了BN薄膜的场发射特性, 发现BN薄膜的场发射特性与基底偏压关系很大, 阈值电场随基 底偏压的增加先增加后减小. 基底偏压为-140 V时BN薄膜样品场发射特性要好于其他样品, 阈值电场低于8 V/μm. F~N曲线表明, 在外加电场的作用下, 电子隧穿BN薄膜表面势垒发射 到真空.     

FTIR-ATR chamber for observation of efflorescence and deliquescence processes of NaClO4 aerosol particles on ZnSe substrate

NaClO4 aerosol particles with diameter of 5-20 microns are deposited on the ZnSe substrate. An FTIR-ATR chamber on the ZnSe substrate is set up to observe the structural changes of NaClO4 aerosol particles at crystallization relative humidity （CRH） and deliquescence relative humidity （DRH）. With the decrease of RH （relative humidity） from 96% to 24% in the efflorescence process, the absorbance of O-H stretching band of the aerosol solutions continuously decreases. A sudden decrease of the water peak is observed at RH20%, where solid particles form. Very small amount of residual interfacial water, with two weak peaks at 3602 and 3533 cm^-1, can still be resolved in the FTIR-ATR spectra of the solid particles. In the deliquescence process of the same sample, little spectral changes are observed when the value of RH varies from 5% to 29%. Before the abrupt increase of the O-H stretching band at the DRH of about RH46%, a pre-deliquescence process is observed, i.e. in the RH range between 33% and 46%, there is really a slow absorbance increase for the peak area of O-H stretching band. The O-H stretching band shows an arciform O-H en- velope, totally different from not only the FTIR-ATR spectra of ClO4^- solutions either under supersaturated state or in diluted state, but also the characteristic of the residually interfacial water discussed in the efflorescence process. Such kind of water is considered as pure water, indicating that small amount of water aggregates in the microspaces of solid aerosol particles due to the capillary cohesion effect. When the RH arrives at RH44%, two weak shoulders at 3384 and 3260 cm^-1 can be resolved, and the solid NaClO4 particles begin to be dissolved by increasing capillary cohesion water. The spectral characteristic of the v3-ClO4^- band also shows the transition from solid particles to mainly solvated ClO4^- ions.     

Photoluminescence from Si-based SiNxOy films

B⁺, C⁺, Si⁺, and As⁺ with dose of 5 × 10¹⁶ cm⁻² were implanted into SiN_xO_y, films grown on crystalline silicon by plasma-enhanced chemical vapor deposition. The ion-implanted samples exhibit their photoluminescence with different intensities and different peak wavelengths after thermal annealing. Especially, the C⁺-implanted SiN_xO_y, films show very intense photoluminescence at green-yellow color region.