量子化学方法研究氯代苯酚类化合物对水生物毒性的构效关系     

许旋  罗一帆  李华祥 《广东海洋大学学报》1992,(2)

对20个氯代苯酚类化合物进行了CNDO/2量子化学计算,讨论了化合物电子结构与其对水生物翻车鱼(Bluegill)、花鳉鱼(Guppy)、和虾(Shrimp)半致死量之间的关系,分别获得了表示其构效关系的三个线性方程,它们的显著性均远高于α=0.01水平。结果表明:氯代苯酚化合物苯环上碳原子的兀电荷之和(∑Qπ_R)越大苯环上碳原子的净电荷之和(∑Q_R)越大,或LUMO轨道能(E_(LUMO))越低,均使化合物对Bluegill和Guppy水生物的毒性增大;而化合物苯环上羟基邻位的碳原子的兀电荷布居(P_3)越大,同时HOMO轨道能E_(HOMO)越高,则化合物对Shrimp毒性也越大。据此,可预测氯代苯酚类化合物对上述三种水生物的毒性。  相似文献   

重力插值方法研究     

向文 《大地测量与地球动力学》1997,(2)

为了根据离散观测数据构制连续空间重力变化图像，分析和讨论了３种数值插值方法，计算结果表明多面函数方法插值精度最高。由于逐步回归分析筛选核函数中心点的计算繁琐，文中提出根据分形理论和Ｓｈａｎｎｏｎ取样定理来确定核函数中心点。对滇西试验场进行模拟试算，插值精度可达到４～５（１０－８ｍｓ－２）。  相似文献   

Ellipsoidal collapse and an improved model for the number and spatial distribution of dark matter haloes     

Ravi K. Sheth  H. J. Mo  Giuseppe Tormen 《Monthly notices of the Royal Astronomical Society》2001,323(1):1-12

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The mass of the white dwarf in the recurrent nova U Scorpii     

T.D. Thoroughgood  V.S. Dhillon  S.P. Littlefair  T.R. Marsh  D.A. Smith 《Monthly notices of the Royal Astronomical Society》2001,327(4):1323-1333

We present spectroscopy of the eclipsing recurrent nova U Sco. The radial velocity semi-amplitude of the primary star was found to be     from the motion of the wings of the He  ii λ 4686-Å emission line. By detecting weak absorption features from the secondary star, we find its radial velocity semi-amplitude to be     . From these parameters, we obtain a mass of     for the white dwarf primary star and a mass of     for the secondary star. The radius of the secondary is calculated to be     , confirming that it is evolved. The inclination of the system is calculated to be     , consistent with the deep eclipse seen in the light-curves. The helium emission lines are double-peaked, with the blueshifted regions of the disc being eclipsed prior to the redshifted regions, clearly indicating the presence of an accretion disc. The high mass of the white dwarf is consistent with the thermonuclear runaway model of recurrent nova outbursts, and confirms that U Sco is the best Type Ia supernova progenitor currently known. We predict that U Sco is likely to explode within ∼700 000 yr.  相似文献   

Numerical calculations in the orbital determination of an artificial satellite for a long arc     

Lin Liu  Xinhao Liao 《Celestial Mechanics and Dynamical Astronomy》1994,59(3):221-235

Numerical methods are usually used for the computation of ephemerides with perturbations for the precise orbital determination of an artificial satellite. But their numerical stability will be encountered in a long arc. In this case the use the improved Encke special perturbation methods has been suggested. The results of this paper show that Encke's method does indeed have a certain effectiveness, but cannot yet completely resolve the numerical stability, and the more efficient method is to use the energy integral or its variational relation to control the growth of the along-track error in general numerical calculations so that the aim of stabilization can be achieved.  相似文献   

Prediction of Stellar Atmospheric Parameters using Instance-Based Machine Learning and Genetic Algorithms   总被引：1，自引：0，他引：1  

J. Federico Ramírez  Olac Fuentes  Ravi K. Gulati 《Experimental Astronomy》2001,12(3):163-178

In this article we present a method for the automated prediction of stellar atmospheric parameters from spectral indices. This method uses a genetic algorithm (GA) for the selection of relevant spectral indices and prototypical stars and predicts their properties, using the k-nearest neighbors method (KNN). We have applied the method to predict the effective temperature, surface gravity, metallicity, luminosity class and spectral class of stars from spectral indices. Our experimental results show that the feature selection performed by the genetic algorithm reduces the running time of KNN up to 92%, and the predictive accuracy error up to 35%. This revised version was published online in July 2006 with corrections to the Cover Date.  相似文献   

On water ice formation in interstellar clouds     

R. Papoular 《Monthly notices of the Royal Astronomical Society》2005,362(2):489-497

A model is proposed for the formation of water ice mantles on grains in interstellar clouds. This occurs by direct accretion of monomers from the gas, be they formed by gas or surface reactions. The formation of the first monolayer requires a minimum extinction of interstellar radiation, sufficient to lower the grain temperature to the point where thermal evaporation of monomers is just offset by monomer accretion from the gas. This threshold is mainly determined by the adsorption energy of water molecules on the grain material; for hydrocarbon material, chemical simulation places this energy between 0.5 and 2 kcal mol⁻¹, which sets the (true) visible extinction threshold at a few magnitudes. However, realistic distributions of matter in a cloud will usually add to this an unrelated amount of cloud core extinction, which can explain the large dispersion of observed (apparent) thresholds. Once the threshold is crossed, all available water molecules in the gas are quickly adsorbed, because the grain cools down and the adsorption energy on ice is higher than on bare grain. The relative thickness of the mantle, and, hence, the slope of  τ₃( A _v)  depend only on the available water vapour, which is a small fraction of the oxygen abundance. Chemical simulation was also used to determine the adsorption sites and energies of O and OH on hydrocarbons and study the dynamics of formation of water molecules by surface reactions with gaseous H atoms, as well as their chances to stick in situ.  相似文献   

Urban tourism research methodology     

Tao Wei  Zhong Wen-hui  Hong Yan 《中国地理科学(英文版)》2005,15(2):173-178

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Yields of Nucleosynthesis from massive and intermediate mass stars and constraints on their final evolution     

D. C. V. Mallik  Sushma V. Mallik 《Journal of Astrophysics and Astronomy》1985,6(3):113-130

Nucleosynthetic yields and production rates of helium and heavy elements are derived using new initial mass functions which take into account the recent revisions in O star counts and the stellar models of Maeder (1981a, b) which incorporate the effects of massloss on evolution. The current production rates are significantly higher than the earlier results due to Chiosi & Caimmi (1979) and Chiosi (1979), and a near-uniform birthrate operating over the history of the galactic disc explains the currently observed abundances. However, the yields are incompatibly high, and to obtain agreement it is necessary to assume that stars above a certain mass do not explode but proceed to total collapse. Further confirmation of this idea comes from the consideration of the specific yields and production rates of oxygen, carbon and iron and the constraints imposed by the observational enrichment history in the disc as discussed by Twarog & Wheeler (1982). Substantial amounts of⁴He and¹⁴C, amongst the primary synthesis species, are contributed by the intermediate mass stars in their wind phases. If substantial numbers of them exploded as Type I SN, their contribution to the yields of¹²C and⁵⁶Fe would be far in excess of the requirements of galactic nucleosynthesis. Either efficient massloss precludes such catastrophic ends for these stars, or the current stellar models are sufficiently in error to leave room for substantial revisions in the specific yields. The proposed upward revision of the¹²C (α,γ)¹⁶O rate may produce the necessary changes in stellar yields to provide a solution to this problem. Stars that produce most of the metals in the Galaxy are the same ones that contribute most to the observed supernova rate.  相似文献   

Characterization of zonal winds in the stratosphere of Titan with UVES     

D. Luz  T. Civeit  J.-P. Lebreton  P. Rannou  O. Witasse  F. Ferri 《Icarus》2005,179(2):497-510

Titan has been observed with UVES, the UV-Visual Echelle Spectrograph at the Very Large Telescope, with the aim of characterizing the zonal wind flow. We use a retrieval scheme originally developed for absolute stellar accelerometry [Connes, P., 1985. Astrophys. Space Sci., 110, 211-255] to extract the velocity signal by simultaneously taking into account all the lines present in the spectrum. The method allows to measure the Doppler shift induced at a given point by the zonal wind flow, with high precision. The short-wavelength channel (4200-5200 Å) probes one scale height higher than the long-wavelength one (5200-6200 Å), and we observe statistically significant evidence for stronger winds at higher altitudes. The results show a high dispersion. Globally, we detect prograde zonal winds, with lower limits of 62 and 50 m s⁻¹ at the regions centered at 200 and 170 km altitude, but approximately a quarter of the measurements indicates null or retrograde winds.  相似文献