NORMAL COORDINATE TREATMENT OF LEU(5)-ENKEPHALIN IN THE CRYSTAL-STATE

Vibrational studies on the neuropentapeptide Leu5-enkephalin were performed for the crystal state where different specific conformations can arise. In the present case, the peptide adopts a double fused folded conformation (beta-turn), the presence of which in the crystal state is directly related to the nature of the solvent used for its crystallization. This study completes other work relating to similar conformations of isolated molecules. It can be seen that specific interactions in the crystal state perturb to a large extent the vibrational relationships between the amide frequencies and the specific sets of dihedral angles characteristic of the particular type of turn. The tyrosyl moiety and its frequency dependence on its hydrogen bond state was especially investigated both for the Fermi resonance and the hydroxyl bending modes.

INFRARED SPECTRA AND CRYSTAL STRUCTURE OF BIS-(DIMETHOXYLPHOSPHATO) COPPER

The title complex has beep synthesized by the reaction of CaCl2, with trimethyl phosphate. Its Infrared spectra from 4000 to 100 cm(-1) measured. The assignment of acme absorption bands was discussed. It is found that the stretching vibrations of bridge groups O-P-O are divided into two groups according to their bond length. The crystal structure of the complex boa been determined from single crystal K-ray diffraction data. The crystals belong to monoclinic system, space group P2(1)/c with cell parameteras, a = 1,0704(4), b = 0.5093(2), c = 1.9737(6)nm, beta = 96.23(3)degrees, V = 1.0696(6)nm(2), Z = 4, final R = 0.044. Copper ion is coordinated to five Rimester oxygen atoms to form a distorted square pyramid. The adjacent copper ions are connected by symmetric and non-symmetric bridge groups of O-P-O, forming an infinite one-dimensional chain coordination polymer.

Seismic characteristics of a reef carbonate reservoir and implications for hydrocarbon exploration in deepwater of the Qiongdongnan Basin, northern South China Sea

Our analysis of approximately 40,000 km of multichannel 2-D seismic data, reef oil-field seismic data, and data from several boreholes led to the identification of two areas of reef carbonate reservoirs in deepwater areas (water depth >= 500 in) of the Qiongdongnan Basin (QDNB), northern South China Sea. High-resolution sequence stratigraphic analysis revealed that the transgressive and highstand system tracts of the mid-Miocene Meishan Formation in the Beijiao and Ledong-Lingshui Depressions developed reef carbonates. The seismic features of the reef carbonates in these two areas include chaotic bedding, intermittent internal reflections, chaotic or blank reflections, mounded reflections, and apparent amplitude anomalies, similar to the seismic characteristics of the LH11-1 reef reservoir in the Dongsha Uplift and Island Reef of the Salawati Basin, Indonesia, which house large oil fields. The impedance values of reefs in the Beijiao and Ledong-Lingshui Depressions are 8000-9000 g/cc x m/s. Impedance sections reveal that the impedance of the LH11-1 reef reservoir in the northern South China Sea is 800010000 g/cc x m/s, whereas that of pure limestone in BD23-1-1 is > 10000 g/cc x m/s. The mid-Miocene paleogeography of the Beijiao Depression was dominated by offshore and neritic environments, with only part of the southern Beijiao uplift emergent at that time. The input of terrigenous sediments was relatively minor in this area, meaning that terrigenous source areas were insignificant in terms of the Beijiao Depression: reef carbonates were probably widely distributed throughout the depression, as with the Ledong-Lingshui Depression. The combined geological and geophysical data indicate that shelf margin atolls were well developed in the Beijiao Depression, as in the Ledong-Lingshui Depression where small-scale patch or pinnacle reefs developed. These reef carbonates are promising reservoirs, representing important targets for deepwater hydrocarbon exploration. (C) 2008 Elsevier Ltd. All rights reserved.

Seismic stratigraphy of the Qiongdongnan deep sea channel system, northwest South China Sea

Based on more than 4000 km 2D seismic data and seismic stratigraphic analysis, we discussed the extent and formation mechanism of the Qiongdongnan deep sea channel. The Qiongdongnan deep sea channel is a large incised channel which extends from the east boundary of the Yinggehai Basin, through the whole Qiongdongnan and the Xisha trough, and terminates in the western part of the northwest subbasin of South China Sea. It is more than 570 km long and 4-8 km wide. The chaotic (or continuous) middle (or high) amplitude, middle (or high) continuity seismic facies of the channel reflect the different lithological distribution of the channel. The channel formed as a complex result of global sea level drop during early Pliocene, large scale of sediment supply to the Yinggehai Basin, inversion event of the Red River strike-slip fault, and tilted direction of the Qiongdongnan Basin. The large scale of sediment supply from Red River caused the shelf break of the Yinggehai Basin to move torwards the S and SE direction and developed large scale of prograding wedge from the Miocene, and the inversion of the Red River strike-slip fault induced the sediment slump which formed the Qiongdongnan deep sea channel.

Crystal structure and DFT studies of a triazole derivative: 4-(2-hydrobenzylideneamino)-3-(1,2,4-triazol-4-yl-methyl) 1H-1,2,4-triazole-5 (4H)-thione

A novel triazole derivative 4-(2-hydrobenzylideneamino)-3-(1, 2, 4-triazol-4-ylmethyl)-1H-1, 2, 4-triazole-5 (4H)-thione(1) was synthesized and characterized using elemental analysis, MR, and H-1 NMR, and its crystal structure was determined via X-ray single crystal diffraction analysis. Crystal data: monoclinic, P2 (1)/c, a = 0.83335 (9) nm, b = 1. 49777 (16) run, c = 1. 14724 (12) nm, beta = 107. 990 (2)degrees, D = 1. 470 Mg/m(3), and Z = 4. The geometries and the vibrational frequencies were determined using the density functional theory(DFT) method at the B3LYP/6-31G* level. To demonstrate the accuracy of the reaction route of compound 1, one of the important intermediates was also tested using the same method. The structural parameters of the two compounds calculated using the DFT study are close to those of the crystals, and the harmonic vibrations of the two compounds computed via the DFT method are in good agreement with those in the observed IR spectral data. The thermodynamic properties of the title compound were calculated, and the compound shows a good structural stability at normal temperature. The test results of biological activities show that it has a certain bactericidal ability.

投资时间序列的混沌分维研究

以某市固定资产投资同比增长数据为根据 ,利用混沌动力学中的相空间重构技术、幅值谱分析、庞加莱截面等方法进行分析 ,并计算其关联分维 ,得出其饱和嵌入维数为 5、关联分维约为 1 7,初步确定某市固定资产投资增长过程具有混沌特性 ,有 5个因素影响着某市固定资产投资的同比增长幅度 ,其中 2个因素起决定作用·该法可用于复杂的经济系统的分析研究·

深海机器人推进电机系统的混沌控制

深海机器人推进电机系统中出现的混沌现象,直接影响深海机器人稳定性、可靠性和安全性.采用自适应控制技术对其混沌行为加以控制,对该方法的可行性和有效性进行了证明.设计和构造了易于工程实施的混沌控制器,用于深海机器人推进电机系统混沌控制.仿真实验表明,推进电机系统在自适应控制器的作用下可迅速脱离混沌状态,并进入持续稳定状态,控制效果明显.可以为深海机器人推进电机系统中可能出现的混沌运行行为提供控制策略和抑制预案,有利于混沌控制嵌入软件的开发,确保深海机器人稳定、可靠和安全地运行,具有一定的实用价值.

随钻地震技术的研究及应用

Seismic While Drilling (SWD) is a new wellbore seismic technique. It uses the vibrations produced by a drill-bit while drilling as a downhole seismic energy source. The continuous signals generated by the drill bit are recorded by a pilot sensor attached to the top of the drill-string. Seismic wave receivers positioned in the earth near its surface receive the seismic waves both directly and reflection from the geologic formations. The pilot signal is cross-correlated with the receiver signals to compute travel-times of the arrivals (direct arrival and reflected arrival) and attenuate incoherent noise. No downhole intrusmentation is required to obtain the data and the data recording does not interfere with the drilling process. These characteristics offer a method by which borehole seismic data can be acquired, processed, and interpreted while drilling. As a Measure-While-Drill technique. SWD provides real-time seismic data for use at the well site . This can aid the engineer or driller by indicating the position of the drill-bit and providing a look at reflecting horizons yet to be encountered by the drill-bit. Furthermore, the ease with which surface receivers can be deployed makes multi-offset VSP economically feasible. First, this paper is theoretically studying drill-bit wavefield， interaction mode between drill-bit and formation below drill-bit , the new technique of modern signal process was applied to seismic data, the seismic body wave radiation pattern of a working roller-cone drill-bit can be characterized by theoretical modeling. Then , a systematical analysis about the drill-bit wave was done, time-distance equation of seismic wave traveling was established, the process of seismic while drilling was simulated using the computer software adaptive modeling of SWD was done . In order to spread this technique, I have made trial SWD modeling during drilling. the paper sketches out the procedure for trial SWD modeling during drilling , the involved instruments and their functions, and the trial effect. Subsurface condition ahead of the drill-bit can be predicted drillstring velocity was obtained by polit sensor autocorrelation. Reference decovolution, the drillstring multiples in the polit signal are removed by reference deconvolution, the crosscorrelation process enhance the signal-to-noise power ratio, lithologies. Final, SWD provides real-time seismic data for use at the well site well trajectory control exploratory well find out and preserve reservoirs. intervel velocity was computed by the traveltime The results of the interval velocity determination reflects the pore-pressure present in the subsurface units ahead of the drill-bit. the presences of fractures in subsurface formation was detected by shear wave. et al.

降雨触发滑坡的非线性模型与斜坡演化的混沌效应

This paper analyzes landsliding process by nonlinear theories, especially the influence mechanism of external factors (such as rainfall and groundwater) on slope evolution. The author investigates landslide as a consequence of the catastrophic slide of initially stationary or creeping slope triggered by a small perturbation. A fully catastrophe analysis is done for all possible scenarios when a continuous change is imposed to the control parameters. As the slip surface continues and erosion due to rainfall occurs, control parameters of the slip surface may evolve such that a previously stable slope may become unstable (e.g. catastrophe occurs), when a small perturbation is imposed. Thus the present analysis offers a plausible explanation to why slope failure occurs at a particular rainfall, which is not the largest in the history of the slope. It is found, by analysis on the nonlinear dynamical model of the evolution process of slope built, that the relationship between the action of external environment factors and the response of the slope system is complicatedly nonlinear. When the nonlinear action of slope itself is equivalent to the acting ability of external environment, the chaotic phenomenon appears in the evolution process of slope, and its route leading to chaos is realized with bifurcation of period-doublings. On the basis of displacement time series of the slope, a nonlinear dynamic model is set up by improved Backus generalized linear inversion theory in this paper. Due to the equivalence between autonomous gradient system and catastrophe model, a standard cusp catastrophe model can be obtained through variable substitution. The method is applied to displacement data of Huangci landslide and Wolongsi landslide, to show how slopes evolve before landsliding. There is convincing statistical evidence to believe that the nonlinear dynamic model can make satisfied prediction results. Most important of all, we find that there is a sudden fall of D, which indicates the occurrence of catastrophe (when D=0).

Photoelectron spectroscopy of ammonia via a fast predissociative state

We report a study on resonance enhanced multiphoton ionization photoelectron spectroscopy (REMPI-PES) involving the fast predissociative (A) over tilde state of ammonia, using nano- and femtosecond lasers. The multiphoton scheme involves (1 + 1), (2 + 2), (2 + 2) + 1 and (2 + 2) + 2 photon processes. We have found a progression of stretching vibrations nu(1) in the PE spectrum when pumping NH3 (A) over tilde upsilon(2) = 0, 1 and 3 as intermediate states. The stretching vibration intensity distributions in the photoelectron spectrum are calculated by using the Chebychev method of the wavepacket propagation. The femtosecond spectrum shows a similar feature to the nanosecond spectrum. However, high laser power also causes band broadening and shifting effect as well as above threshold multiphoton ionization.