Double proton transfer and one-electron oxidation behaviors in double H-bonded glycinamide-formamidine complex and comparison with biological base pair

The behaviors of double proton transfer (DPT) occurring in a representative glycinamide-formamidine complex have been investigated employing the B3LYP/6-311++G** level of theory. Computational results suggest that the participation of a formamidine molecule favors the proceeding of the proton transfer (PT) for glycinamide compared with that without mediator-assisted case. The DPT process proceeds with a concerted mechanism rather than a stepwise one since no zwitterionic complexes have been located during the DPT process. The barrier heights are 14.4 and 3.9 kcal/mol for the forward and reverse directions, respectively. However, both of them have been reduced by 3.1 and 2.9 kcal/mol to 11.3 and 1.0 kcal/mol with further inclusion of zero-point vibrational energy (ZPVE) corrections, where the lower reverse barrier height implies that the reverse reaction should proceed easily at any temperature of biological importance. Additionally, the one-electron oxidation process for the double H-bonded glycinamide-formamidine complex has also been investigated. The oxidated product is characterized by a distonic radical cation due to the fact that one-electron oxidation takes place on glycinamide fragment and a proton has been transferred from glycinamide to formamidine fragment spontaneously. As a result, the vertical and adiabatic ionization potentials for the neutral double H-bonded complex have been determined to be about 8.46 and 7.73 eV, respectively, where both of them have been reduced by about 0.79 and 0.87 eV relative to those of isolated glycinamide due to the formation of the intermolecular H-bond with formamidine. Finally, the differences between model system and adenine-thymine base pair have been discussed briefly.

延安地区农业面临的问题与增产技术研究

:1 999年 8月朱总理为了落实江总书记“再造一个山川秀美的西北地区”和“把黄河的事情办好”的重要指示 ,视察黄土高原地区农业建设 ,从根治黄土高原的大局出发 ,强调采取“退耕还林 (草 ) ,封山绿化 ,个体承包 ,以粮代赈”的措施 ,动员广大人民群众 ,大搞植树种草 ,改善生态环境 ,为根治黄河奠基。面对总理的指示精神 ,退耕还林还草之后的农业如何发展 ?在人均 0 .0 7～ 0 .1 3hm2基本农田结构如何调整 ?农林牧关系如何协调 ?带着这些问题 ,我们通过在延安 70个农户中进行调查 ,指出了农业发展中存在的主要问题和面临的挑战 ,总结出效果明显的农业技术 ,供决策部门参考

Investigation of charge-carrier injection characteristics in NPB/Alq3 heterojunction devices

The effect of copper phthalocyanine (CuPc) and LiF interfacial layers on the charge-carrier injection in NN'-di(naphthalene-l-yl)N,N'-diphenyl-benzidine (NPB)/tris(8-hydroxyquinoline) aluminium (Alq(3)) organic heterojunction devices have been studied through the analysis of current-voltage characteristics. The investigation clearly demonstrated that the hole injection into NPB from anode is Fowler-Nordheim (FN) tunneling and the electron injection into Alq3 from cathode is Richardson-Schottky (RS) thermionic emission. The barrier heights obtained from the FN and RS models proved that the band alignments for charge-carrier injection are greatly improved by the CuPc and LiF interfacial layers, which should fully clarify the role of the interfacial layer on the improvement of device performance.

Remote sensing of ocean waves by along-track interferometric synthetic aperture radar

A new wave retrieval method for the Along-Track Interferometric Synthetic Aperture Radar (AT-InSAR) phase image is presented. The new algorithm, named parametric retrieval algorithm (PRA), uses the full nonlinear mapping relations. It differs from previous retrieval algorithms in that it does not require a priori information about the sea state or the wind vector from scatterometer data. Instead, it combines the observed AT-InSAR phase spectrum and assumed wind vector to estimate the wind sea spectrum. The method has been validated using several C-band and X-band HH-polarized AT-InSAR observations collocated with spectral buoy measurements. In this paper, X-band and C-band HH-polarized AT-InSAR phase images of ocean waves are first used to study AT-InSAR wave imaging fidelity. The resulting phase spectra are quantitatively compared with forward-mapped in situ directional wave spectra collocated with the AT-InSAR observations. Subsequently, we combine the parametric retrieval algorithm (PRA) with X-band and C-band HH-polarized AT-InSAR phase images to retrieve ocean wave spectra. The results show that the ocean wavelengths, wave directions, and significant wave heights estimated from the retrieved ocean wave spectra are in agreement with the buoy measurements.

Validation of RADARSAT-2 fully polarimetric SAR measurements of ocean surface waves

C band RADARSAT-2 fully polarimetric (fine quad-polarization mode, HH+VV+HV+VH) synthetic aperture radar (SAR) images are used to validate ocean surface waves measurements using the polarimetric SAR wave retrieval algorithm, without estimating the complex hydrodynamic modulation transfer function, even under large radar incidence angles. The linearly polarized radar backscatter cross sections (RBCS) are first calculated with the copolarization (HH, VV) and cross-polarization (HV, VH) RBCS and the polarization orientation angle. Subsequently, in the azimuth direction, the vertically and linearly polarized RBCS are used to measure the wave slopes. In the range direction, we combine horizontally and vertically polarized RBCS to estimate wave slopes. Taken together, wave slope spectra can be derived using estimated wave slopes in azimuth and range directions. Wave parameters extracted from the resultant wave slope spectra are validated with colocated National Data Buoy Center (NDBC) buoy measurements (wave periods, wavelengths, wave directions, and significant wave heights) and are shown to be in good agreement.

Distribution of the nonlinear random ocean wave period

Because of the intrinsic difficulty in determining distributions for wave periods, previous studies on wave period distribution models have not taken nonlinearity into account and have not performed well in terms of describing and statistically analyzing the probability density distribution of ocean waves. In this study, a statistical model of random waves is developed using Stokes wave theory of water wave dynamics. In addition, a new nonlinear probability distribution function for the wave period is presented with the parameters of spectral density width and nonlinear wave steepness, which is more reasonable as a physical mechanism. The magnitude of wave steepness determines the intensity of the nonlinear effect, while the spectral width only changes the energy distribution. The wave steepness is found to be an important parameter in terms of not only dynamics but also statistics. The value of wave steepness reflects the degree that the wave period distribution skews from the Cauchy distribution, and it also describes the variation in the distribution function, which resembles that of the wave surface elevation distribution and wave height distribution. We found that the distribution curves skew leftward and upward as the wave steepness increases. The wave period observations for the SZFII-1 buoy, made off the coast of Weihai (37A degrees 27.6' N, 122A degrees 15.1' E), China, are used to verify the new distribution. The coefficient of the correlation between the new distribution and the buoy data at different spectral widths (nu=0.3-0.5) is within the range of 0.968 6 to 0.991 7. In addition, the Longuet-Higgins (1975) and Sun (1988) distributions and the new distribution presented in this work are compared. The validations and comparisons indicate that the new nonlinear probability density distribution fits the buoy measurements better than the Longuet-Higgins and Sun distributions do. We believe that adoption of the new wave period distribution would improve traditional statistical wave theory.

Sea surface height and transport stream function of the South China Sea from a variable-grid global ocean circulation model

A fine-grid model (1/6degrees) covering the South China Sea (SCS), East China Sea and Japan/East Sea, which is embedded into a coarse-grid (3degrees) global model, was established to study the SCS circulation. In the present paper, we report the model-produced monthly and annual mean transport stream functions and sea surface heights(SSH) and their anomalies of the SCS. Comparison to the TOPEX/Poseidon data shows that the model-produced monthly sea surface height anomalies (SSHA) are in good agreement with altimeter measurements. Based on the results, the circulation of the SCS, especially the upper layer circulation, is discussed. In the surface layer, the western Philippine Sea water intrudes into the SCS through the Luzon Strait in autumn, winter and spring, but not in summer. However, as far as the whole water column is concerned, the water intrudes into the SCS through the Luzon Strait all the year round. This indicates that in summer the water still intrudes into the SCS in the subsurface and intermediate layers. The area near the northern continental slope of the SCS is dominated by a cyclonic circulation all the year round. The SCS Southern Anticyclonic Gyre, SE Vietnam Off-Shore Current in summertime and SCS Southern Cyclonic Gyre in wintertime are reproduced reasonably. The difference between the monthly averaged SSH and SSHA is significant, indicating the importance of the mean SSH in the SCS circulation.

Growth, survival and immune activity of scallops, Chlamys farreri Jones et Preston, compared between suspended and bottom culture in Haizhou Bay, China

We examined the growth, survival and immune response of the scallop, Chlamys farreri, during a 1-year period in deep water of Haizhou Bay. Scallops were cultured using two methods: (1) in lantern nets at a 5 m depth and (2) in a bottom culture system (sleeves) on the seabed at about a 25 m depth. Shell heights, meat dry weight and immune activities in the haemolymph (superoxide dismutase and myeloperoxidase) were measured bimonthly or quarterly from July 2007 to June 2008. Survival was measured at the end of the study and environmental parameters in the experimental layers were monitored during the experiment. The growth and immune activities of scallops were lower when the water temperature was high, which was consistent with the main mortality occurring in summer. The growth and immunity of scallops were higher in the suspended culture than in the bottom culture during the experiment, with the exception of shell growth during the last study period. Survival of scallops in the suspended culture (54.6 +/- 12.3%) was significantly lower than that in the bottom culture (86.8 +/- 3.5%) at the end of this study. We conclude from our results that the high mortality of C. farreri can be prevented by culturing them in a bottom culture system before November of the first year, and then transferring them to a suspended culture to improve scallop production.

可变形机器人协同越障方法及控制策略研究

在复杂环境中工作的机器人对越障能力的要求越来越高。为了充分发挥可变形机器人AMOEBA-Ⅰ的越障能力,增强机器人在非结构环境中的适应性,提出了可变形机器人的协同越障方法。建立了数学模型,对机器人越障高度与其重心位置的关系进行了理论分析。从理论上比较了常规越障方法与协同越障方法所能翻越障碍的最大高度。同时提出了自主越障过程的控制策略,采用了根据情感状态的变化对机器人控制策略进行微调,并建立了相应地情感模型。实验验证了协同越障方法及自主越障控制策略的有效性。

植物对环境污染的磁学响应机理研究

With development of industry and acceleration of urbanization, problems of air quality as well as their influences on human health have recently been regarded highly by current international communities and governments. Generally, industrializations can result in exhausting of a lot of industry gases and dusts, while urbanization can cause increasing of modern vehicles. Comparing with traditional chemical methods, magnetic method is simple, rapid, exact, low-cost and non-destructive for monitoring air pollution and has been widely applied in domestic and international studies. In this thesis, with an aim of better monitoring air pollution, we selected plants (highroad-side perennial pine trees (Pinus pumila Regel) along a highroad linking Beijing City and the Capital International Airport, and tree bark and tree ring core samples (willow, Salix matsudana) nearby a smelting industry in northeast Beijing) for magnetic studies. With systemic magnetic measurements on these samples, magnetic response mechanism of contamination（e.g. tree leaves, tree ring）to both short- and long-term environmental pollution has been constructed, and accordingly the pollution range, degree and process of different time-scale human activities could be assessed. A series of rock magnetic experiments of tree leaves show that the primary magnetic mineral of leaf samples was identified to be magnetite, in pseudo-single domain (PSD) grain size range of 0.2-5.0 μm. Magnetite concentration and grain size in leaves are ascertained to decrease with increasing of sampling distance to highroad asphalt surface, suggesting that high magnetic response to traffic pollution is localized within a distance of about 2 m away from highroad asphalt surface. On the other hand, highroad-side trees and rainwater can effectively reduce the concentration of traffic pollution-induced particulate matters (PMs) in the atmosphere. This study is the first time to investigate the relationship of smelting factory activities and vicissitudes of environment with tree rings by magnetic methods. Results indicate that magnetic particles are omnipresent in tree bark and trunk wood. Magnetic techniques including low-temperature experiment, successive acquisition of IRM, hysteresis loops and SIRM measurements suggest that magnetic particles are predominated by magnetite in pseudo-single domain state. Comparison of magnetic properties of tree trunk and branch cores collected from different directions and heights implies that collection of magnetic particles depends on both sampling direction and height. Pollution source-facing tree trunk wood contains significantly more magnetic particles than other sides. These indicate that magnetic particles are most likely intercepted and collected by tree bark first, then enter into tree xylem tissues by translocation during growing season, and are finally enclosed in a tree ring by lignifying. Correlation between magnetic properties such as time-dependent SIRM values of tree ring cores and the annual steel yields of the smelting factory is significant. Considering the dependence of magnetic properties in sampling directions, heights, and ring cores, we proposed that magnetic particles in the xylem cannot move between tree rings. Accordingly, the SIRM and some other magnetic parameters of tree ring cores from the source-facing side could be contributed to historical study of atmospheric pollution produced by heavy metal smelting activities, isoline diagrams of SIRM values of all the tree rings indicate that air pollution is increasing worse. We believed that a synthetic rock magnetic study is an effective method for determining concentration and grain size of ferromagnets in the atmospheric PMs, and then it should be a rapid and feasible technique for monitoring atmospheric pollution.

太阳耀斑和日食期间电离层行为的统计和模拟研究

The ionosphere is the ionized component of the Earth's upper atmosphere. Solar EUV radiation is the source of ionospheric ionization. Thus the ionosphere is affected strongly by the variations in solar radiation. Solar flares and solar eclipses can induce remarkable short time changes in solar radiation: the solar radiation would increase suddenly during solar flares and decrease significantly during solar eclipses. Solar flare and eclipse events not only affect directly the photochemical processes, but also affect the dynamic processes, and even affect the neutral atmosphere, which is strongly coupled with the ionosphere. The study on the ionospheric response to solar flares and eclipses can advance our knowledge on the ionosphere and its photochemical and dynamic processes and help us to evaluate the ionospheric parameters (such as ion loss coefficients). In addition, the study on the ionospheric responses to solar flares and eclipses is an important part of the ionospheric space weather, which can provide guides for space weather monitoring. This thesis devotes to the study on the ionospheric responses to solar flares and solar eclipses. I have developed two models to simulate the variations of solar EUV radiation during solar flares and solar eclipses, and involved in developing a 2D mid- and low-latitude ionospheric model. On the basis of some observed data and the ionospheric model, I study the temporal and spatial variations of the ionosphere during solar flares and eclipses, and investigate the influences of solar activity, solar zenith angle, neutral gas density, and magnetic dip angle on the ionospheric responses to solar flares and solar eclipses. The main points of my works and results are summarized as follows. 1. The ionospheric response to the X17.2 solar flare on October 28, 2003 was modeled via using a one-dimension theoretical ionospheric model. The simulated variation of TEC is in accordance with the observations, though there are some differences in the amplitude of the variation. Then I carried out a series of simulations to explore the local time and seasonal dependences of the ionospheric responses to solar flares. These calculations show that the ionospheric responses are largely related with the solar zenith angle (SZA). During the daytime (small SZA), most of the increases in electron density occur at altitudes below 300 km with a peak at around 115 km; whereas around sunrise and sunset (SZA>90°), the strongest ionospheric responses occur at much higher altitudes. The TEC increases slower at sunrise than at sunset, which is caused by the difference in the evolution of SZA at sunrise and sunset: SZA decreases with time at sunrise and increase with time at sunset. The ionospheric response is largest in summer and smallest in winter, which is also related to the seasonal difference of SZA. 2. Based on the observations from the ionosondes in Europe and the ionospheric model, I investigated the differences of the ionosphere responses to solar eclipses between the E-layer and F1-layer. Both the observation and simulation show that the decrease in foF1 due to the solar eclipses is larger than that in foE. This effect is due to that the F1 region locates at the transition height between the atomic ion layer and the molecular ion layer. With the revised model of solar radiation during solar flares, our model calculates the radiations from both the inside and outside of photosphere. Large discrepancy can be found between the observations and the calculations with an unrevised model, while the calculations with the revised model consist with the observations. 3. I also explore the effects of the F2-layer height, local time, solar cycle, and magnetic dip angle on the ionospheric responses to solar eclipses via using an ionospheric model and study on the solar zenith angle and the dip dependences by analyzing the data derived from 23 ionosonde stations during seven eclipse events. Both the measured and simulated results show that these factors have significant effect on the ionospheric response. The larger F2-layer height causes the smaller decrease in foF2, which is because that the electron density response decreases with height. The larger dip results in the smaller eclipse effect on the F2 layer, because the larger dip would cause the more diffusion from the top ionosphere which can make up for the plasma loss. The foF2 response is largest at midday and decreases with the increasing SZA. The foF2 response is larger at high solar activity than at low solar activity. The simulated results show that the local time and solar activity discrepancy of the eclipse effect mainly attribute to the difference of the background neutral gas density. 4. I carried out a statistical study on the latitudinal dependence of the ionospheric response to solar eclipses and modeled this latitudinal dependence by the ionospheric model. Both the observations and simulations show that the foF2 and TEC responses have the same latitudinal dependence: the eclipse effects on foF2 and TEC are smaller at low latitudes than at middle latitudes; at the middle latitudes (>40°), the eclipse effect decreases with increasing latitude. In addition, the simulated results show the change in electron temperature at the heights of above 300 km of low latitudes is much smaller than that at the same heights of middle latitudes. This is due to the smaller decrease in photoelectron production rate at its conjugate low heights. 5. By analyzing the observed data during the October 3, 2005 solar eclipse, I find some significant disturbances in the conjugate region of the eclipse region, including a decrease in Te, an increase in foF2 and TEC, and an uprising in hmF2. I also simulated the ionosphere behavior during this eclipse using a mid-low latitude ionospheric model. The simulations reproduce the measured ionospheric disturbances mentioned above in the conjugated hemisphere. The simulations show that the great loss of arriving photoelectron heat from the eclipse region is the principal driving source for the disturbances in the conjugate hemisphere.

吐合盆地鲁克沁构造带断块油藏形成机制及油藏预测

Lukeqin arc belt is a compound structure generated by multi-movements and composed of 6 sub-structural zones, which are connected by Huoyanshan Mountain. General characteristics of the arc belt are multi-patterns of structure, multi-phases for petroleum, multi-types of trap and multi-layers for reservoirs. As a part of the eastern Lukeqin arc belt located on the south of Taibei depression, Lukeqin structural zone behaves as a complex faulted-fold zone, in which the formation and distribution of hydrocarbons are controlled by structures. As the dominant source of dynamics for the second migration of hydrocarbon, structure stress field is closely related with the potentials of hydrodynamics. Results derived from the simulations of stress field by finite element method indicate that the northwest tending faults prefer seal to the northeast tending ones. The reason is that the northwest tending faults were squeezed more strongly than the northeast tending ones. Therefor, the northeast tending faults become always the paths for oil to migrate southeastward. Lukeqin structural zone is the main site for oil to concentration because it is surrounded by high stress. Situated on the front of the foreland basin of Turpan-Hami, Lukeqing arc belt is a dam to hold back the southward migrating oil from Shengbei depression. The axis line of Shenquan-Shengnan-Yanmuxi, Lukeqin and Yubei controls the migrating paths and concentrating process of oil and gas. Results derived from stress simulation and structure analyses indicate consistently that both Yubei and Lukeqin structural zones are the favorite areas for oil to migrate. The generally southward paths for oil to migrate out of Taibei depression can be two ways. One of them is from Taibei depression to Yubei structural zone and the other is from Taibei depression to Lukeqin structural zone. By the both ways, oil migrated upward along the faults and southeastward along the structural axis to concentrate in either Permian or Triassic system. The newly ascertained path for oil migration, which is accurately southeastward instead of coarsely southward, indicates the directions for further explorations on the compound Lukeqin block zone. Five kinds of seal models of fault are all found in Lukeqin block zone by studying the seal features of faults occurred in the zone. Having studied the fault seal and their controlling factors by fuzzy set method, the paper deems that the northwest tended faults are better than the northeast tended ones for oil to concentrate. The most important factors to decide the seal extent of faults in this zone are the characteristics of main stress and fluids instead of capillary pressure differences between the two sides of fault and smear mud factors. There exist seal differences not only between the faults of different time but also between the sections within a fault due to the variation of depths, strata and positions. The general distribution rules of reservoirs were dominated by the seal characteristics of a fault during the time reservoirs formed. While the current features of fault seal decide the conservation of reservoirs and heights of oil accumulations. Seal or not of a fault is not absolute because the essential for fault to seal is the distribution of permeability of fault zone. Therefor, the multi cyclical activities of faults create the space-time variation of seal features of the fault. Totally, the seal extent of the faults within the area is not as perfect as to accumulate ordinary crude. Crude oil can only be sealed when it becomes viscous. Process for crude oil to become viscous and viscous happened strongly because of the fault-fold movements. Shallowly burying and even revealing of the objective layers of the reservoirs made the crude oil to be thickened by water washing biologically degradation and oxidation degradation. The northwestward deepening during or after the reservoir formation of the structural zone provided the power for oil to migrate one or more times. The main reason for oil accumulation is the formation of Lukeqin block zone during Xishanyao stage, middle Jurassic Period, Early Yanshanian Movement. While the main reason for reservoir conservation is the placidity of Triassic blocks after the formation of reservoirs. Contrasting to former opinions, it is concluded that the reservoirs in Lukeqin zone, including viscous reservoirs, were formed by one time but not more times. So the author proposes the opinion that the reservoirs of viscous oil were formed by viscous oil migration under the conditions of aptitude sets of fault seals controlled by fluid and other factors. To grope the distribution rules outside Taibei depression and discuss the formation mechanism of Anjurassic reservoirs, it is necessary to study the dominate factors for the formation of reservoirs in Lukeqin structural zone such as structural stress, fault seals and thickening mechanism of crude oil. Also, the necessary studies are the key to break through the Taibei depression and Anjurassic systems. Therefor, they are significant for the future exploration and reserve increasing of hydrocarbon within the Turpan-Hami basin. The paper studied the distribution rules of block reservoirs and forecasted the favorable zones for further exploration in Turpan-Hami basin. Conclusions can be useful for not only the exploration in the area but also the theory consult in the adjacent areas.

Capillary electrophoresis study of human serum albumin binding to basic drugs

The applicability of capillary electrophoresis/frontal analysis (CE/FA) for determining the binding constants of the drugs propranolol (PRO) and verapamil (VER) to human serum albumin (HSA) was investigated. After direct hydrodynamic injection of a drug-HAS mixture solution into a coated capillary (32 cm x 50 mu m i.d.), the basic drug was eluted as a zonal peak with a plateau region under condition of phosphate buffer (pH 7.4; ionic strength 0.17) at 12 kV positive running voltage. The unbound drug concentrations measured from the plateau peak heights had good correlation coefficients, r > 0.999. Employing the Scatchard plot, the Klotz plot and nonlinear regression, the drug protein binding parameters, the binding constant and the number of binding sites on one protein molecule, were obtained. The binding constant obtained was compared to a reported equilibrium dialysis result and they are basically in good agreement.