Rashba spin-orbit coupling in InSb nanowires under transverse electric field

We investigate the Rashba spin-orbit coupling brought by transverse electric field in InSb nanowires. In small k(z) (k(z) is the wave vector along the wire direction) range, the Rashba spin-orbit splitting energy has a linear relationship with k(z), so we can define a Rashba coefficient similarly to the quantum well case. We deduce some empirical formulas of the spin-orbit splitting energy and Rashba coefficient, and compare them with the effective-mass calculating results. It is interesting to find that the Rashba spin-orbit splitting energy decreases as k(z) increases when k(z) is large due to the k(z)-quadratic term in the band energy. The Rashba coefficient increases with increasing electric field, and shows a saturating trend when the electric field is large. As the radius increases, the Rashba coefficient increases at first, then decreases. The effects of magnetic fields along different directions are discussed. The case where the magnetic field is along the wire direction or the electric field direction are similar. The spin state in an energy band changes smoothly as k(z) changes. The case where the magnetic field is perpendicular to the wire direction and the electric field direction is quite different from the above two cases, the k(z)-positive and negative parts of the energy bands are not symmetrical, and the energy bands with different spins cross at a k(z)-nonzero point, where the spin splitting energy and the effective g factor are zero.

两种银莲花属植物的化学成分研究

本学位论文由5 章组成。第1 章报道了两头尖中三萜皂苷类化合物的全扫描电喷雾多级质谱分析及银莲花素A 的电喷雾质谱裂解规律；第2 和3 章报道了两种银莲花属药用植物化学成分的研究结果；第4 章报道了银莲花素A 的化学结构修饰及其对一种蛋白酪氨酸磷酸酯酶（PTP-1B）的抑制活性；第5 章综述了电喷雾质谱在皂苷类化合物结构鉴定中的应用进展。 第1 章报道了运用全扫描电喷雾多级质谱对两头尖中三萜皂苷类化合物的快速定性检测，共检测出18 个准分子离子峰，根据多级质谱数据并结合文献报道，对其中的15 个准分子离子峰进行了归属，并区分了一些同分异构体；更有意思的是，发现了3 个未见文献报道的三萜皂苷类化合物。根据它们的多级质谱数据，对其结构分别进行了初步解析。本章同时对银莲花素A 特殊的质谱裂解途径通过衍生物制备及其质谱分析进行了确认。 第2 和3 章，分别报道了两头尖和打破碗花花中水溶性多糖苷的分离纯化和结构鉴定。采用D101 大孔树脂和反复硅胶柱层析等分离手段，从两头尖水溶性部分分离得到8 个三萜皂苷类化合物，通过红外、电喷雾质谱和核磁共振等现代谱学方法，并结合传统的化学手段鉴定了它们的结构，其中4 个化合物为新化合物，分别命名为多被银莲花皂苷19、多被银莲花皂苷20、多被银莲花皂苷21和多被银莲花皂苷22。从打破碗花花水溶性部位分离得到6 个三萜皂苷类化合物，通过现代谱学手段，并结合传统的化学方法对它们进行了鉴定，其中1 个为新化合物，命名为打破碗花花苷H。 第4 章报道了以银莲花素A 及其同系物为先导化合物，进行化学结构修饰并对修饰产物进行广泛的生物活性筛选，发现在银莲花素A 及其同系物的结构中引入一些酸性基团后，其生物活性发生了变化，一些修饰产物显示出很强的PTP-1B 抑制作用，提示这些化合物有可能用于治疗II 型糖尿病。 第5 章综述了电喷雾多级质谱用于皂苷类化合物结构鉴定的研究进展。 This dissertation composes of five chapters. The first chapter elaborates the detection and qualification of the triterpenoidal saponins in Anemone raddeana by positive and negative full scan ESI-MSn. This part also reports the special fragmentation pathway of Raddeanin A by ESI-MS/MS. The second and third chapters present the phytochemical investigation of two medicinal plants from Anemone. The fourth part dwells on the structure modification of Raddeanin A and their inhibitory activity against PTP-1B. The last part is a review on the progress in the application of ESI-MSn in the structure identification of saponins. The first chapter reports the application of full scan ESI-MSn for fast analysis of triterpenoid saponins in Anemone raddeana. Eighteen quasi- molecular ion peaks were detected in the positive full scan ESI-MS and fifteen of them were identified by analysis of their tandem mass spectral data in the negative ion mode. Several isomers were differentiated. More interesting, three unreported triterpenoid saponins in this medicinal plant were detected and their structures were deduced according to the dissociation pathway of the known triterpenoidal saponins. This chapter also confirms the special fragmentation pathway of Raddeanin A by its derivative and the mass spectral analysis. The second and third chapters expatiate on the isolation and identification of the chemical constituents from A. raddeana and A. hupehensis. Eight compounds were isolated from the roots and stems of A. raddeana by methanol extraction and repeated column chromatography (including D101 and silica gel), and their structures were determined on the basis of IR, ESI-MS, NMR and chemical methods (including acid hydrolysis and alkaline saponification). Among them, four are new triterpenoid saponins and named as Raddeanoside R19, Raddeanoside R20, Raddeanoside R21 and Raddeanoside R22. Six compounds were isolated from the whole plants of A. hupehensis by the same methods as above, and their structures were also determined with the same way. One of them was confirmed to be new triterpenoid saponins and named as hupehensis saponin H. In the fourth chapter, in order to look for new active compounds, the structure of Raddeanin A and its analogs were modified. It was found that the modified products exhibited obvious inhibitory activity against PTP-1B when several acid groups were introduced. The fifth chapter summarizes the progress on the application of ESI-MSn in the structure identification of saponins.

土地利用总体规划环境影响评价指标体系研究——以邛崃市土地利用总体规划为例

土地利用是人类根据土地质量特性来开发利用土地，创造财富，满足人类生产和生活的需要，同时改善环境，满足人类生存需要的过程。土地利用总体规划是对未来各类用地在空间上、时间上作出总体的协调的预先安排，不仅受到一定历史背景的制约，同时也受影响于当前的社会经济发展情况。但是，国内传统的土地利用总体规划往往从狭窄的技术经济观点出发，对远期的生态环境问题、社会问题缺少考虑，将新的用地尽量安排在最便捷、最经济的地方。 由于土地利用总体规划对环境影响具有长期性、复杂性、综合性、有时还有不可逆转性等特点，迫切需要在编制土地利用总体规划时对规划区与土地利用有关的环境影响进行科学研究，把环境保护纳入土地利用活动的计划、决策和规划实施中，促进土地资源持续、协调的利用。为更好地进行土地利用总体规划环境影响评价必须首先建立相应的评价指标体系，而目前国内关于该项研究的理论和实践的相关报道都较少。 本论文在综述国内外土地利用总体规划环境影响评价的理论与实践的基础上，在国内第一批开展了相关领域的案例研究，采用理论研究和案例分析相结合的研究方法对土地利用总体规划环境影响评价方法和指标体系进行了研究，对邛崃市土地利用总体规划进行了环境影响评价，其研究的主要内容和论点如下: (1)第一次根据FAO 确定的五大原则，引入了生态用地的概念并按照价值模型构建了以土地资源可持续利用为目标的县级土地利用总体规划环境影响评价的指标体系。以生产性、稳定性、保护性、经济活力、社会可接受性五个方面作为指标层来度量土地利用总体规划的环境影响，并选取了土地利用率、土地整理率、水面指数、生态用地面积比例、耕地转化率、建设用地产值指数、公众满意度等21 个元指标作为具体的评价指标。该指标体系强调了规划方案的公众参与，便于充分吸收公众的意见和建议；并且评价指标获取容易，实用性较强。 (2)在土地利用总体规划环境影响评价方法上进行了有益的探索和尝试，由于土地利用总体规划环境影响评价的主要对象是几个拟定的规划方案，所以采用综合评分法（包括特尔斐法和层次分析法）和公众参与相结合的评价方法。应用上述指标体系和评价方法对邛崃市土地利用总体规划的三个方案进行了评价筛选，高方案最终得分为92.049；中方案最终得分为91.028；而低方案最终得分为95.541，为最优方案。 （3）开展了对土地利用总体规划替代方案和公众参与机制的研究，对公众参与的方式、程序及主要内容从理论和实践两方面进行了有益的尝试，收到了良好的效果。 （4）对邛崃市土地利用总体规划进行了环境影响评价，根据邛崃市的具体情况，对规划实施后可能造成的环境正、负面影响进行了分析和预测，提出了预防或者减轻不良环境影响的对策和措施。 Land use is a process, which is to develop land according to its mass property. Bycreating the wealth and improving the environment, it can meet the need of production,life and human survival. Land use planning, as a planning form to guide land use, issubject to the historical background, and influenced by development of economic andsociety. The land use planning in the past, from narrow economic technology view,lacking of concerning ecologic environmentand social problem, arranged new land in the most convenient and economic place. Because of complexity, comprehensive and sometimes irreversible characteristicsof environmental impact caused by land use planning which has been implemented, it isneed to carry on scientific research on environmental impact related to land use as theland use planning is forming, to bring environmental protection within the plan, policymaking and implementing of land use activity, promoting the sustainment, harmonious use of land resource. This paper, taking the readjustment of land use planning in Qionglai as an example,assessed its environmental impact of land use planning. The main contents and results arepresented as follows: (1) On the basis of the five criterions of AFO, for the first time propose county classoverall planning of land uses SEA index by inducting ecological land use andestablishing the Value factor system, according to Productivity criterion，Stabilitycriterion，Sheltered criterion，Economic livingness criterion，Social acceptabilitycriterion，the environmental impact of land use system was assessed by using Valuemodel. Through identifying the factors of environmental impact of land use planning, thepaper established the factor system of SEA of land use planning. From the land usefactors, 21 factors was chosen to assess the environmental impact degree of land useplanning, such as, index of land use degree, the rate of land collating, index of watersurface, the rate of ecological use land, cultivated land conversion ratio, forest landconversion ratio, public satisfaction degree and so on. These indexes make a point thatpublic participation of plan project fully absorb public idea and propose and the index easily get, better utility. (2) Attempt useful assessment method system of SEA of land use planning. In viewof there are no or almost no inevitable contact among the factors of SEA of land useplanning，we use AHP （Analytic Hierarchy Process） as the main assess method . Thereare three plans are compared in this paper apply the foregoing index and assessmentmethod. The high plan finally score is 92.049，while the middle plan is 91.028. The lowplan score is 95.541，is the best one，as the selected plan. (3) Carry on the research of the alternative scheme of overall planing of land useand public participation，to the fashion ，procedure and object matter carry out helpfulattempt from theory to practice，the results is good. （4）Took place SEA of Qionglai County overall planing of land use，according to thecircumstance of Qionglai，we analyze and forecast the positive and negative affect afterthe plan implement，and put forward the countermeasure and means to prevent or abatebad environmental impact.

Study of a high power density sodium polysulfide/bromine energy storage cell

Nickel catalyst supported on carbon was made by reduction of nickelous nitrate with hydrogen at high temperature. Ni/ C catalyst characterization was carried out by XRD. It was found that the crystal phase of NiS and NiS2 appeared in the impregnated catalyst. Ni/ C and Pt/ C catalysts gave high performance as the positive and negative electrodes of a sodium polysulfide/ bromine energy storage cell, respectively. The overpotentials of the positive and negative electrodes were investigated. The effect of the electrocatalyst loading and operating temperature on the charge and discharge performance of the cell was investigated. A power density of up to 0.64 W cm(-2) ( V = 1.07 V) was obtained in this energy storage cell. A cell potential efficiency of up to 88.2% was obtained when both charge and discharge current densities were 0.1 A cm(-2).

实行三个基本转变促进黄土丘陵区农业和经济持续发展

依据黄土丘陵区几十年治理开发的正反两方面经验 ,认为该地区要真正抓住西部大开发大好机遇 ,迅速改变落后面貌 ,实现农业和经济的快速及可持续发展 ,必须在指导思想和农业生产上实现三个根本转变。即 :变以粮为主的广种薄收为高效的农林果牧综合发展 ;变自给自足的小农经济为以商品生产为主的集约经营 ;变生态经济相悖论为生态经济统一观

黄土丘陵区农业可持续发展的科学途径

依据黄土丘陵区生态-经济系统演变过程中的正反两方面事例,分析了制约该区农业、经济可持续发展的主要限制因素,探讨了改善该区生态环境、实现农业持续发展的科学途径。并以此认为,退耕还林还草恢复林草植被,是实行农耕制度革命的重要举措,应该与产业结构调整密切结合,实现生态经济可持续发展。

Reversible Nanopatterning on Self-Assembled Monolayers on Gold

The reversible fabrication of positive and negative nanopatterns on 1-hexadecanethiol (HDT) self-assembled monolayers (SAMs) on Au(111) was realized by bias-assisted atomic force microscopy (AFM) nanolithography using an ethanol-ink tip. The formation of positive and negative nanopatterns via the bias-assisted nanolithography depends solely on the polarity of the applied bias, and their writing speeds can reach 800,um/s and go beyond 1000 mu m/s, respectively. The composition of the positive nanopatterns is gold oxide and the nanometer-scale gold oxide can be reduced by ethanol to gold, as proved by X-ray photoelectron spectroscopy (XPS) analysis, forming the negative nanopatterns which can be refilled with HDT to recover the SAMs.

高效液相色谱-质谱联用法分析龙胆中的环稀醚萜类成分

A rapid method was developed to analyze the extract of the Gentiana scabra Bge. by using high performance liquid chromatograghy-electrospray ionization multi-stage tandem mass spectrometry (HPLC-ESI-MSn). 5 compounds in Gentiana scabra Bge. are identified in the positive and negative mode. The research results demonstrate that the HPLC-ESI-MSn can quickly identified the components in Gentiana scabra Bge. . It also can provide the information of the relative molecular mass and chemical structure of the compounds in the extract of the Gentiana scabra Bge. .

Electronic structures of 4d transition metal monoxides by density functional theory

Bond distances, dissociation energies, ionization potentials and electron affinities of 4d transition metal monoxides from YO to CdO and their positive and negative ions were studied by use of density functional methods B3LYP, BLYP, B3PW91, BPW91, B3P86, BP86, SVWN, MPW1PW91 and PBE1PBE. It was found that calculated properties are highly dependent on the functionals employed, especially for dissociation energy. For most neutral species, pure density functionals BLYP, BPW91 and BP86 have good performance in predicting dissociation energy than hybrid density functionals B3LYP, B3PW91 and B3P86. In addition, BLYP gives the largest bond distance compared with other density functional methods, while SVWN gives shortest bond distance, largest dissociation energy and electron affinity. For the ground state, the spin multiplicity of the charged species can be obtained by +/- 1 of their corresponding neutral species.

Study on the instability of organic field-effect transistors based on fluorinated copper phthalocyanine

The effects of positive and negative gate-bias stress on organic field-effect transistors (OFET) based on tantalum (Ta)/tantalum pentoxide (Ta2O5)/fluorinated copper phthalocyanine (F16CuPc) structure are investigated as a function of stress time and stress temperature. It is shown that gate-bias stress induces a parallel threshold voltage shift (DeltaV(T)) of OFETs without changes of field-effect mobility mu(EF) and sub-threshold slope (DeltaS). The DeltaV(T) is observed to be logarithmically dependent on time at high gate-bias appropriate to OFET operation. More importantly, the shift is directional, namely, be large shift under positive stress and almost do not move under negative stress. The threshold voltage shift is temperature dependent with activation energy of 0.51 eV We concluded that threshold voltage shift of the OFET with F16CuPc as active layer is due to charge trapping in the insulator in which trapped carriers have redistribution.

Characterization of non-covalent complexes of rutin with cyclodextrins by electrospray ionization tandem mass spectrometry

Electrospray ionization tandem mass spectrometry (ESI-MSn) and the phase solubility method were used to characterize the gas-phase and solution-phase non-covalent complexes between rutin (R) and alpha-, beta- and gamma-cyclodextrins (CDs). The direct correlation between mass spectrometric results and solution-phase behavior is thus revealed. The order of the 1:1 association constants (K-c) of the complexes between R and the three CDs in solution calculated from solubility diagrams is in good agreement with the order of their relative peak intensities and relative collision-induced dissociation (CID) energies of the complexes under the same ESI-MSn condition in both the positive and negative ion modes. Not only the binding stoichiometry but also the relative stabilities and even binding sites of the CD-R complexes can be elucidated by ESI-MSn. The diagnostic fragmentation of CD-R complexes, with a significant contribution of covalent fragmentation of rutin leaving the quercetin (Q) moiety attached to the CDs, provides convincing evidence for the formation of inclusion complexes between R and CDs. The diagnostic fragment ions can be partly confirmed by the complexes between Q and CDs. The gas-phase stability order of the deprotonated CD-R complexes is beta-CD-R > alpha-CD-R > gamma-CD/R; beta-CD seems to bind R more strongly than the other CDs.

Multi-stage mass spectrometric studies of triterpenoid saponins in crude extracts from Acanthopanax senticosus harms

Three triterpenoid saponins in crude extracts from Acanthopanax senticosus Harms have been investigated by use of multi-stage mass spectrometry (MSn) combined with electrospray ionization (ESI), MSn spectra were applied to direct structure elucidation of these saponins in crude plant extracts, in positive and negative ion mode. The characteristic fragmentations of triterpenoid saponins are discussed. The method provides a means of rapid initial screening of crude plant extracts. Copyright (C) 1999 John Wiley & Sons, Ltd.

Studies on beta-cyclodextrin amino acids inclusion complexes by electrospray ionization mass spectrometry

The positive- and negative-ion electrospray ionization mass spectra of beta-cyclodextrin-amino acids complexes in NH4Ac buffer have been reported in this paper. Compared with positive-ion ESI mass spectra of beta-cyclodextrin-amino acids complexes under the same condition, negative-ion mass spectra obtained for inclusion complexes of beta-cyclodextrin (CD) with tyrosine, phenylalanine and tryptophan, respectively, were completely dominated by deprotonated complex ions and [CD-H](-) ion which is the only daughter ion in collision-induced dissociation (CID) experiment of deprotonated complexes, The results indicated that the charged position for protonated and deprotonated complexes is different from each other. In addition, two complex ions for the same complex have similarly relative dissociation energies, which are higher than that of [CD+NH4](+), indicating that complexes observed in gasphase are not electrostatic adducts at all but complexes formed by hydrogen bonds.

地震岩性与物性联合反演技术研究和应用

This paper studies how to more effectively invert seismic data and predict reservoir under complicated sedimentary environment, complex rock physical relationships and fewer drills in offshore areas of China. Based on rock physical and seismic amplitude-preserving process, and according to depositional system and laws of hydrocarbon reservoir, in the light of feature of seismic inversion methods present applied, series methods were studied. A joint inversion technology for complex geological condition had been presented, at the same time the process and method system for reservoir prediction had been established. This method consists four key parts. 1)We presented the new conception called generalized wave impedance, established corresponding inversion process, and provided technical means for joint inversion lithology and petrophysical on complex geological condition. 2)At the aspect of high-resolution nonlinear seismic wave impedance joint inversion, this method used a multistage nonlinear seismic convolution model rather than conventional primary structure Robinson seismic convolution model, and used Caianiello neural network implement inversion. Based on the definition of multistage positive and negative wavelet, it adopted both deterministic and statistical physical mechanism, direct inversion and indirect inversion. It integrated geological knowledge, rock physical theory, well data, and seismic data, and improved the resolution and anti-noise ability of wave impedence inversion. 3)At the aspect of high-resolution nonlinear reservoir physical property joint inversion, this method used nonlinear rock physical model which introduced convolution model into the relationship between wave impedance and porosity/clay. Through multistage decomposition, it handles separately the large- and small-scale components of the impedance-porosity/clay relationships to achieve more accurate rock physical relationships. By means of bidirectional edge detection with wavelets, it uses the Caianiello neural network to finish statistical inversion with combined applications of model-based and deconvolution-based methods. The resulted joint inversion scheme can integrate seismic data, well data, rock physical theory, and geological knowledge for estimation of high-resolution petrophysical parameters. 4)At the aspect of risk assessment of lateral reservoir prediction, this method integrated the seismic lithology identification, petrophysical prediction, multi-scale decomposition of petrophysical parameters, P- and H-spectra, and the match relationship of data got from seismics, well logging and geology. It could describe the complexity of medium preferably. Through applications of the joint inversion of seismic data for lithologic and petrophysical parameters in several selected target areas, the resulted high-resolution lithologic and petrophysical sections(impedance, porosity, clay) show that the joint inversion can significantly improve the spatial description of reservoirs in data sets involving complex deposits. It proved the validity and practicality of this method adequately.

中低纬电离层暴的统计分析与经验建模

As a key issue of ionospheric weather study, systemic studies on ionospheric storms can not only further improve our understanding of the response of the ionosphere to solar and geomagnetic disturbances, but also help us to reveal the chemical, dynamic and electro-dynamic mechanisms during storms. Empirical modelling for regional ionospheric storm is also very useful, because it can provide us with tools and references for the forecasting and further practical application of ionospheric activity. In this thesis, we focus on describing and forecasting of ionospheric storms at middle and low latitudes. The main points of my investigations are listed as follows. (1) By using magnetic storms during the period over 50 years, the dependence of the type, onset time and time delay of the ionospheric storms on magnetic latitude, season and local time at middle and low latitudes in the East-Asian sector are studied. The results show that the occurrences of the types of ionospheric disturbances differ in latitude and season. The onset of the ionospheric storms depends on local time. At middle latitudes, most negative phase onsets are within the local time interval from night to early morning, and they rarely occurred in the local noon and afternoon sectors. At low latitudes, positive phases commence most frequently in the daytime sector as well as pre-midnight sector. The average time delays for both the positive and negative ionospheric storms increase with descending latitudes. The time delay has significant dependence on the local time of main phase onset (MPO). The time delay of positive response is shorter for daytime MPO and longer for night-time MPO, whereas the opposite applies for negative response. (2) Based on some previous researches, a primary empirical model for mid-latitude ionospheric disturbance is set up. By fitting to the observed data, we get a high accuracy with a mean RMSE of only 12-14% in summer and equinox. The model output has been compared with the output of STORM model, and the results show that, our model is much better than STORM in summer and a little better for some mid-latitude stations at equinox. Especially, for the type of two-step geomagnetic storm, our model can present twice descending of foF2 very well. In addition, our model can forecast positive ionospheric storms.