IrTi合金晶格动力学的第一性原理研究

利用密度泛函理论的平面波赝势方法研究了IrTi合金的晶格动力学行为. 声子谱计算表明四方(L1₀)结构动力学不稳定,通过冷冻不稳定声子模式, 发现IrTi会发生从四方(L1₀)到正交的结构相变.进一步分析软模对应的原子振动, 得到了具有正交对称性,空间群为Cmmm,相对于四方(L1₀)相能量更低、更稳定的结构. 这种正交新相(Cmmm)弹性稳定和动力学稳定,而且其结构参数与实验上观察到的低温结构有限的晶格参数相符合,表明IrTi合金的低温相是正交结构(Cmmm). 从理论上肯定了IrTi合金立方到四方再到正交的相变机制, 解决了实验上关于相变机制和低温相结构形式的争议.     

钠原子主线系精细结构的多体微扰计算

在相对论的框架下采用多体微扰理论(MBPT)方法计算了纳原子 np(n=3—9)态的能级精细结构分裂值. 为避免多体微扰计算中需要计算大量连续态的困扰, 通过引入外势的方法可以构建离散、有限和近似完备的数值基函数. 经求解相对论Hartree-Fock (RHF)方程及外势作用下的RHF方程可获得零级近似波函数和能级值. 为了使微扰展开能够收敛, 计算中用到了轨道角量子数l≤ 6的在一定能量分布范围内的中间态, 其中以在外势作用下的收缩态为主. 依此方法计算了纳原子主线系系列能级二阶微扰修正值, 同时还考虑了Breit效应的一级微扰修正对精细结构的影响. 通过与其他理论计算结果比较可看出, 本文计算结果在较大程度上更接近于实验值.     

70S超冷Cs Rydberg原子的动力学演化

利用双光子激发超冷原子获得70S超冷Cs Rydberg原子, 采用脉冲场电离法使Rydberg原子电离, 并用微通道板测量Rydberg原子的信号. 改变激发光和电离电场脉冲的延迟时间和激发光脉冲的宽度, 研究70S超冷Cs Rydberg原子之间的相互作用和动力学演化过程. 利用黑体辐射导致的态转移和相互作用碰撞电离解释了实验结果,实验结果和理论相一致.     

Na5Eu(MO4)4(M=Mo,W)的B(λkq)强度参数和跃迁几率

本文应用Judd-Ofelt理论,从实验光谱数据得到了Na5Eu(MO4)4(M=Mo,W)的B(λkq)唯象参数.由这些B(λkq)线—线跃迁强度参数计算得到的5D0,1(ri)→7FJ(rf)的跃迁几率同实验光谱数据得到的跃迁几率较好地相吻合.本文对计算数据和实验结果之向存在的偏差作了讨论.     

石英微透镜阵列的制作研究

叙述了采用氩离子束刻蚀的方法制作线列长方形拱面石英微透镜阵列.所制单元石英微透镜底部的外形尺寸为(300×106)um²,平均冠高7.07μm,平均曲率半径202.19μm,平均焦距404.38μm,平均F₂数为3.82,平均光焦度2.47×10³屈光度,扫描电子显微镜和表面探针测试表明,所制线列石英微透镜阵列的图形整齐均匀,单元长方形拱面石英微透镜的轮廓清晰,表面光滑平整.所制微透镜阵列用于高T_c超导红外探测器阵列的实验证实,微透镜的引入可以显著改善超导探测器的光响应特性.     

衍射透镜的精确设计方法

根据光线在基板和衍射层中实际光路作者导出了衍射透镜的精确设计计算公式,基于这种公式设计出的微透镜的成象质量优于基于简化公式设计的衍射透镜.本文介绍这些严密的设计公式和设计过程,给出了工作波长λ=0.6328μm、直径2R=300μm、基板(折射率ns=1.51)厚1000μm、衍射层折射率nd=1.56的微透镜设计面形以及象点的能量分布.     

高光谱成像的马铃薯叶片含水率分布可视化

为了快速检测马铃薯叶片的水分含量,并探究受到干旱胁迫时叶片含水率变化情况,利用高光谱成像对马铃薯叶片含水率进行检测和可视化研究。采集71个叶片,用烘干法对叶片水分梯度进行控制,共得到355个样本。使用高光谱分选仪器采集叶片862.9~1 704.2 nm(256个波长)的光谱成像数据,采用称重法测量含水率。利用Sample set partitioning based on joint X-Y distance(SPXY)算法将总样本按照2∶1的比例划分为建模集(240个样本)和验证集(115个样本)。对采集的数据进行光谱特征分析,本文分别用CA和RF两种算法,各筛选得到15个特征波长。基于CA筛选出相关系数高于0.96的15个波长分别为1 406.82,1 410.12,1 403.62,1 413.32,1 416.62,1 419.82,1 400.32,1 423.12,1 426.32,1 429.62,1 432.82,1 436.12,1 439.32,1 442.52和1 445.8 nm。基于RF算法筛选被选概率高于0.3的15个特征波长,按照被选择概率值从大到小排列,分别为1 071.62,1 041.12,1 222.52,1 465.22,1 397.02,1 449.02,1 034.32,1 523.22,976.42,1 172.52,979.82,1 165.82,1 037.72,1 426.32和869.8 nm。用CA和RF算法筛选到的特征波长建立PLSR模型,分别记为CA-PLSR模型和RF-PLSR模型。利用高精度模型检测结果,对马铃薯叶片含水率进行可视化分析,首先计算马铃薯叶片图像每个像素点的含水率,得到灰度图像,然后对灰度图像进行伪彩色变换,绘制出叶片含水率可视化彩色图像。为了体现马铃薯叶片烘干处理中含水率变化进程,用HSV彩色模型对样本叶片的伪彩色图像进行分割,获得分割图像结果,显示出在某含水率区间的叶片面积比例。结果显示,CA算法选取的15个波长均在1 400.3~1 450.0 nm范围内,CA-PLSR模型的建模精度(R2_c)为0.975 5、建模集均方根误差(RMSEC)为2.81%,验证集精度(R2_v)为0.933 2、验证集均方根误差(RMSEV)为2.31%。RF算法选取的特征波长分布范围较CA法选取范围广,具有局部“峰谷”特性,且RF-PLSR模型的建模集精度(R2_c)为0.983 2、RMSEC为2.32%,验证集精度(R2_v)为0.947 1、RMSEV为2.15%。选取RF-PLS模型计算马铃薯每个像素点的含水率,得到伪彩色变换图像,观察可知随着烘干时间的增加含水率逐渐下降;并能够从叶片结构角度看到,随着水分胁迫的加强,叶片从边缘开始失水,逐渐向叶片中间蔓延,其中叶茎和叶脉的含水率较其他部位高。计算得到叶片伪彩色图像中含水率大于90%,80%和70%的像素点占整个叶片图像的比例。利用高光谱成像技术可以实现马铃薯叶片的含水率检测与分布可视化表达,为监测马铃薯生长状况以及叶片含水率分析提供新的理论根据。     

铷原子蒸汽中的光偏振旋转效应

对铷原子(⁸⁷Rb)蒸汽中的法拉第旋转、光学偏振自旋转以及二者的叠加旋转效应进行了理论和实验研究.对三种情况下旋转现象建立了简单而有效的理论模型. 实验中把铷原子泡置于自行设计的磁屏蔽腔内, 以屏蔽地磁场的影响.实验选择⁸⁷Rb F=2→F'=3能级D2跃迁线并采用零多普勒光谱 实验结构消除多普勒展宽对实验光谱的影响. 实验中分别观测到了三种旋转现象,实验结果与理论模拟结果非常符合.     

基于无人机成像高光谱估算马铃薯植株氮含量

植株氮含量(PNC)是评价作物长势和氮营养状况的重要指标，因此，准确高效地获取PNC信息，对动态监测马铃薯长势及精准施控氮肥具有重要意义。首先于马铃薯现蕾期、块茎形成期、块茎增长期、淀粉积累期和成熟期获取无人机高光谱影像，并基于预处理的影像提取5个生育期冠层的原始光谱和一阶微分光谱；其次将提取的冠层光谱与马铃薯PNC进行相关性分析，筛选出PNC的敏感波长；然后分别利用灰度共生矩阵和1～3阶颜色矩，提取冠层原始光谱特征波长处高光谱图像的纹理和颜色2种图像特征，并将提取的特征与马铃薯PNC进行相关性分析，筛选出相关性较高的前5个图像特征；最后分别基于光谱特征、图像特征和图谱融合特征利用弹性网络回归(ENR)、贝叶斯线性回归(BLR)和极限学习机(ELM) 3种方法建立马铃薯PNC估算模型。结果表明：(1)马铃薯5个生育期的冠层光谱特征波长存在差异，但多数位于可见光区域。(2)冠层原始光谱特征波长图像的纹理和颜色特征与PNC的相关性较高，且现蕾期到淀粉积累期的相关性明显高于成熟期。(3)基于单一光谱特征和单一图像特征构建的马铃薯PNC估算模型在现蕾期到淀粉积累期效果较好，成熟期效果较差。(4...     

甚高频电容耦合氢等离子体特性研究

采用高H₂稀释的SiH₄等离子体放电, 特别是甚高频等离子体增强化学气相沉积技术是当前高速制备优质微晶硅薄膜的主流方法. 尽管在实验上取得了很大的突破, 但其沉积机理一直是研究的热点和难点. 本文通过建立二维时变的轴对称模型,在75 MHz放电频率下, 对与微晶硅沉积非常相关的甚高频电容耦合氢等离子体放电进行了数值模拟, 研究了沉积参数对等离子体特性的影响, 并与光发射谱(OES)在线监测结果进行了比较. 结果表明: 电子浓度 n_e在等离子体体层中间区域最大, 而电子温度 T_e及H_α与H_β的数密度在体层和鞘层界面附近取极大值; 当气压从1 Torr (1 Torr=133.322 Pa)增大至5 Torr时, 等离子体电势单调降低, 在体层中间区域 n_e先快速增大然后逐渐减小, T_e先下降后趋于稳定; 随着放电功率从30 W增大到70 W, 电子浓度 n_e及H_α与H_β的数密度均线性增大, 而电子温度 T_e基本保持不变; OES在线分析结果与模拟结果符合得很好.     

应用FTIR分析过量表达HPS/PHI转基因与野生型天竺葵叶片在甲醛胁迫下的生理特性差异

6-磷酸己酮糖合成酶(HPS)和6-磷酸果糖异构酶(PHI)是细菌同化甲醛的关键酶。13 C-NMR分析结果说明在天竺葵叶绿体中过量表达HPS/PHI融合蛋白可把RuMP途径整合成卡尔文循环的一个支路,在转基因天竺葵叶绿体中创造一个甲醛光合同化途径。运用FTIR技术分析过量表达HPS/PHI转基因与野生型天竺葵在甲醛胁迫下体内各物质含量的变化规律及光谱表征,考察FTIR能否成为一种鉴定有甲醛光合同化途径的转基因植物与野生型植物表型差异的新方法。分别用4mmol.L-1甲醛处理野生型和转基因植物0,1,2,3,4d,通过对两种植物经甲醛处理不同时间后各光谱特征的比较分析发现,用4mmol.L-1甲醛处理4d后转基因植物中的碳水化合物、蛋白质、脂肪族化合物等的含量明显高于野生型植物。这可能是由于安装HPS/PHI甲醛光合同化途径后使转基因植物同化代谢甲醛的能力更强,能将更多的甲醛固定为6-磷酸果糖,然后进入各种同化途径用于合成细胞内的各种组份所致,说明FTIR可作为一种鉴定有甲醛光合同化途径的转基因天竺葵与野生型天竺葵表型差异的新方法。     

Water Stress Response of Conventional and Transgenic Soybean Plants Monitored by Chlorophyll <Emphasis Type="Italic">a</Emphasis> Fluorescence

Two soybean cultivars, one conventional and a glyphosate-tolerant (transgenic), were submitted to the water stress and the chlorophyll a fluorescence induced by UV light was monitored daily during 16 days. In this work, 40 pots in total, 20 per cultivar were used in the investigation. Each cultivar was divided in two groups, the control group and the group submitted to the water stress. The stress response of the cultivars was monitored by red to far-red fluorescence ratio. The data indicate that the water stress induced the earliest changes on the fluorescence ratio and chlorophyll content for the conventional cultivar. In addition, a comparative analysis of the fluorescence ratios of the cultivars reveals that conventional plants have higher chlorophyll content than transgenic ones. This result might be useful in the development of methodologies able to distinguish conventional to transgenic apart.     

Qualitative assessment of silver and gold nanoparticle synthesis in various plants: a photobiological approach

The development of rapid and ecofriendly processes for the synthesis of silver (Ag) and gold (Au) nanoparticles is of great importance in the field of nanotechnology. In this study, the extracellular production of Ag and Au nanoparticles was carried out from the leaves of the plants, Tridax procumbens L. (Coat buttons), Jatropa curcas L. (Barbados nut), Calotropis gigantea L. (Calotropis), Solanum melongena L. (Eggplant), Datura metel L. (Datura), Carica papaya L. (Papaya) and Citrus aurantium L. (Bitter orange) by the sunlight exposure method. Qualitative comparisons of the synthesized nanoparticles between the plants were measured. Among these T. procumbens, J. curcas and C. gigantea plants synthesized <20 nm sized and spherical-shaped Ag particles, whereas C. papaya, D. metel and S. melongena produced <20 nm sized monodispersed Au particles. The amount of nanoparticles synthesized and its qualitative characterization was done by UV–vis spectroscopy and transmission electron microscopy (TEM), respectively. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) were used for structural confirmation. Further analysis carried out by fourier transform infrared spectroscopy (FTIR), provided evidence for the presence of amino groups, which increased the stability of the synthesized nanoparticles.     

Quantitative determination of essential and trace element content of medicinal plants and their infusions by XRF and ICP techniques

Macro‐ and microelement contents of five medicinal plants (Taraxacum officinale Weber, Eucalyptus globulus Labill, Plantago lanceolata L., Matricaria chamomilla L. and Mentha piperita L.) and their infusions were evaluated by the combined use of x‐ray fluorescence (WDXRF and EDXRF, bulk raw plants) and inductively coupled plasma (ICP‐MS and ICP‐AES, infusions) techniques. The analytical methods allow the determination of 17 elements (Na, Mg, Al, Si, P, S, K, Ca, Ti, Mn, Fe, Cu, Zn, As, Rb, Sr, and Pb) both in plants and in the infusions. The use of XRF techniques offer a good multielemental approach for the rapid quality control of bulk raw plant materials whereas ICP techniques are well suited for the analytical control of infusions in order to ascertain the nutritional role of medicinal plants and the daily dietary intake. Copyright © 2005 John Wiley & Sons, Ltd.     

Determination of microelement distribution in different components of soil-plant systems

The leaves, stem, and roots of two types of shrubs (tea (Camellia sinensis) and sweet leaf (Sauropus androgynus)) and two types of herbs (vetiver grass (Vetiveria zizanioides L. Nash) and maize (Zea mays L)) and the Thucuc soil where the plants were growing were collected to be studied. The contents of 22 elements in the samples were determined by three methods: X-Ray fluorescence analysis (XRFA), gamma activation analysis (GAA), and the tracking method to study the distribution of these elements in plants and the soil-plant relationship. This study was carried out at the Flerov Laboratory of Nuclear Reactions (FLNR), Joint Institute for Nuclear Research (JINR), Dubna, Russia. The distribution of the elements in the soil-plant system was studied.     

DNA hybridization and phosphinothricin acetyltransferase gene sequence detection based on zirconia/nanogold film modified electrode

This study reports a novel electrochemical DNA biosensor based on zirconia (ZrO₂) and gold nanoparticles (NG) film modified glassy carbon electrode (GCE). NG was electrodeposited onto the glassy carbon electrode at 1.5 V, and then zirconia thin film on the NG/GCE was fabricated by cyclic voltammetric method (CV) in an aqueous electrolyte of ZrOCl₂ and KCl at a scan rate of 20 mV/s. DNA probes were attached onto the ZrO₂/NG/GCE due to the strong binding of the phosphate group of DNA with the zirconia film and the excellent biocompatibility of nanogold with DNA. CV and electrochemical impedance spectroscopy (EIS) were used to characterize the modification of the electrode and the probe DNA immobilization. The electrochemical response of the DNA hybridization was measured by differential pulse voltammetry (DPV) using methylene blue (MB) as the electroactive indicator. After the hybridization of DNA probe (ssDNA) with the complementary DNA (cDNA), the cathodic peak current of MB decreased obviously. The difference of the cathodic peak currents of MB between before and after the hybridization of the probe DNA was used as the signal for the detection of the target DNA. The sequence-specific DNA of phosphinothricin acetyltransferase (PAT) gene in the transgenic plants was detected with a detection range from 1.0 × 10⁻¹⁰ to 1.0 × 10⁻⁶ mol/L, and a detection limit of 3.1 × 10⁻¹¹ mol/L.     

用近红外光谱分析转基因抗虫棉根际全氮和有机质含量

随着转基因植物的普及推广,人们越来越关心其生态安全性。以转基因棉花及其对照为实验材料,借助于近红外光谱仪对转基因棉花及其对照根际土壤和非根际土壤中的全氮和有机质进行了分析测定,扫描区间为12 000～4 000 cm-1,分辨率为4 cm-1,扫描次数为64次;同时用标准方法进行对比测定。结果显示近红外检测样品的结果与标准方法结果无明显差别,说明通过扫描光谱加上数学和计算机软件分析,非常准确、方便地测定了转基因作物根际土壤中的全氮和有机质。结果显示,转基因棉花根际土壤中的全氮和有机质含量显著高于对照中的含量,分析原因主要可能与转基因抗虫棉向根际土壤分泌毒蛋白所致,毒蛋白会结合在土壤颗粒上,降解较慢,增加了全氮和有机质的含量,有机质又会增加土壤微生物的繁殖,进一步增加了土壤有机质含量。     

Surface Molecular Imprinting on Silica-Coated CdTe Quantum Dots for Selective and Sensitive Fluorescence Detection of p-aminophenol in Water

In this paper, a selective and sensitive sensor for the determination of p-aminophenol (PAP) was developed by grafting molecularly imprinted polymers (MIPs) on the surface of silica-coated CdTe quantum dots (CdTe@SiO₂@MIPs). The obtained CdTe@SiO₂@MIPs were characterized by X-ray powder diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and fluorescence spectroscopy. The fluorescence intensity of CdTe@SiO₂@MIPs was more strongly quenched by PAP than that of the structural analogues of PAP. Under the optimal conditions, the fluorescence intensity of the CdTe@SiO₂@MIPs decreased sensitively with the increase of PAP concentration in the range of 0.05–50 μM. The limit of detection was 0.02 μM (3σ/K _sv). The sensor was successfully used to determine PAP in tap and lake water samples, and the average recoveries of PAP at various spiking levels ranged from 97.33 % to 103.3 % with relative standard deviations below 20 %.     

Analytical FT‐Raman spectroscopy to chemotype Leptospermum scoparium and generate predictive models for screening for dihydroxyacetone levels in floral nectar

Leptospermum scoparium (Mānuka) is the source of nectar for Unique Mānuka Factor (UMF) honey. The chemical component of interest to this study is dihydroxyacetone (DHA). DHA is the precursor for the chemical methylglyoxyl which is the main chemical responsible for the UMF activity in Manuka honey. Screening commercially bred plants for increased DHA synthesis in L. scoparium is a critical factor in growing the Manuka Honey industry in New Zealand. FT‐Raman spectroscopy, in combination with principal component analysis and partial least squares regression analysis, was investigated as an analytical tool for building a screening model for DHA in the nectar of L. scoparium. Leaf samples of seven cultivars of the species L. scoparium were collected in an attempt to correlate metabolic factors in the plant with DHA synthesis in the nectar. Leaf material was analysed using Fourier transform‐raman spectroscopy (FT‐Raman). The DHA levels in nectar samples of the same cultivars were measured using standard LC‐MS methods. This study showed that the application of multivariate analysis of FT‐Raman spectra from leaf material is a useful tool to screen for DHA potential in L. scoparium. The PLS regression shows that we can screen for DHA concentrations in the range of 3300–7600 mg/kg plus or minus 20% standard error and can distinguish low medium and high DHA synthesis in the group of plants studied. The model for predicting DHA concentrations is influenced by a significant contribution from the spectral variance due to beta‐carotene and other highly scattering compounds that are not directly correlated with UMF. Copyright © 2014 John Wiley & Sons, Ltd.     

Transforming echoes into pseudo-action potentials for classifying plants.

Animals perceive their environment by converting sensory stimuli into action potentials, or temporal point processes, that are interpreted by the brain. This paper investigates the information content of point processes extracted from echoes from in situ plants in an effort to understand how bats recognize landmarks in the field. A mobile sonar converts echoes into biologically similar temporal point processes. termed pseudo-action potentials (PAPs), whose inter-PAP interval relates to echo amplitude. The sonar forms a sector scan of an object to produce a spatial-temporal PAP field. Classifier neurons apply delays and coincidence detection to the PAP field to identify three distinct echo types, glints, blobs, and fuzz, which characterize plant features. Glints are large amplitude echoes exhibiting coherence over successive echoes in the sector scan, typically produced by favorably oriented isolated specular reflectors. Blobs are large echoes lacking coherence, typically bordering glints or formed by collections of interfering reflectors. Fuzz represents weak echoes, typically produced by collection of weak scatterers or by reflectors on the beam periphery. A small mirror reflector models a flat leaf surface and motivates the glint criteria. Classifiers are applied to experimental data from two types of tree trunks, a glint-producing sycamore (Platanus occidenatalis) and a glint-absent Norway maple (Acer platanoides) and two plants, a glint-producing rhododendron (Rhododendron maximus) and a glint-absent yew (Taxus media). We speculate that our narrow-band sonar models the activity of a single frequency bin in the frequency-modulated (FM) sweep emitted by bats, and that one function of the frequency bins in the FM sweep is to form a sector scan of the environment.