Synthesis and quantum-chemistry analysis on novel triazole compounds containing ester group

Nine novel triazole compounds containing ester group were designed and synthesized. Their structures were confirmed by elemental, H-1 NMR and IR analyses, and optimized by means of DFT (Density Functional Theory) method at the B3LYP/6-31G* level. Based on the quantum-chemical calculation results and the Pearson coefficients between FA and quantumchemical parameters, V, LogP, MR and E-HOMO are shown to be the important relative factors which affect FA of the title compounds.

Group size effects on foraging and vigilance in migratory Tibetan antelope

Large group sizes have been hypothesized to decrease predation risk and increase food competition. We investigated group size effects on vigilance and foraging behaviour during the migratory period in female Tibetan antelope Pantholops hodgsoni, in the Kekexili Nature Reserve of Qinghai Province, China. During June to August, adult female antelope and yearling females gather in large migratory groups and cross the Qinghai-Tibet highway to calving grounds within the Nature Reserve and return to Qumalai county after calving. Large groups of antelope aggregate in the migratory corridor where they compete for limited food resources and attract the attention of mammalian and avian predators and scavengers. We restricted our sampling to groups of less than 30 antelopes and thus limit our inference accordingly. Focal-animal sampling was used to record the behaviour of the free-ranging antelope except for those with lambs. Tibetan antelope spent more time foraging in larger groups but frequency of foraging bouts was not affected by group size. Conversely, the time spent vigilant and frequency of vigilance bouts decreased with increased group size. We suggest that these results are best explained by competition for food and risk of predation. (C) 2007 Elsevier B.V. All rights reserved.

Molecular evidence for the sister relationship of the eastern Asia-North American intercontinental species pair in the Podophyllum group (Berberidaceae)

The presumed pair relationships of intercontinental vicariad species in the Podophyllum group (Sinopodophyllum hexandrum vs. Podophyllum pelatum and Diphylleia grayi vs. D. cymosa) were recently, considered to be paraphyletic. In the present paper, the trnL-F and ITS gene sequences of the representatives were used to examine the sister relationships of these two vicariad species. A heuristic parsimony analysis based on the trnLF data identified Diphylleia as the basal clade of the other three genera, but provided poor resolution of their inter-relationships. High sequence divergence was found in the ITS data. ITS1 region, more variable but parsimonyuninformative. has no phylogenetic value, Sequence divergence of the ITS2 region provided abundant, phylogenetically informative variable characters. Analysis of ITS2 sequences confirmeda sister relationship between the presumable vicariad species, in spite of a low bootstrap support for Sinopodophyllum hexandrum vs. Podophyllum pelatum. The combined ITS2 and trnL-F data enforced a sister relationship between Sinopodophyllum hexandrum and Podophyllum pelatum with an elevated bootstrap support of 100%. Based on molecular phylogeny, the morphological evolution of this group was discussed. The self-pollination might have evolved from cross-fertilization two times in this group. The different pollination and seed dispersal systems of Sinopodophyllum hexandrum and Podophlyllum pelatum resulted from their adaptations to different ecological habitats. The divergence time of Sinopodophyllum hexandrum-Podophyllum pelatum is estimated to be 6.52+/-1.89 myr based on the ITS divergence. The divergence of this species pair predated or co-occurred with the recent uplift of the Himalayas 4-3 myr during the late Miocene and the formation of the alpine habitats. Sinopodophyllum hexandrum developed a host of specialized characters in its subsequent adaptation to the arid alpine surroundings. The present study confirmed the different patterns of species relationship between Asian-North American disjuncts. The isolation of plant elements between North America and eastern Asia must have been a gradual process, resulting in the different phylogenetic patterns and divergence times of the disjuncts.

巴丹吉林沙漠及其南缘地区的水化学和环境同位素特征与环境演变

The Badain Jaran Desert lies on the Alashan Plateau in western Inner Mongolia. Because of huge dunes, permanent lakes and on the northern fringe of the Asian summer monsoon, the Badain Jaran Desert has been drawing attentions of many experts. And they have made great progress in dune’s geomorphology, botany in desert, paleoclimate change and other study areas. We analyzed environmental isotope and ion chemistry in lakes and groundwater of the desert and southeastern area, and collected some other evidences from 14C dating, fossils and archeology. According to chemical analysis, we discuss the difference spatial character of ion chemistry and environmental isotope in lakes and groundwater of the desert and adjacent. Contrasting with ion chemistry and isotope results in other arid area, we argue origin of groundwater and lakes in the desert area, and get a preliminary understanding of desert lakes’ evolution during Holocene. Some main conclusions were drawn as follows: 1. It has a obvious difference in hydrophysical parameters between lakes and groundwater in the desert and margin. 2. The results of ion analysis show that Na+ and Cl- are dominant in most lakes of the desert. Meanwhile, Na+ 、Cl- and HCO3- are dominant in groundwater of the desert and adjacent, and alsoMg2+、Ca2+、and NO3- have more percentage than in lakes. 3. Owing to different solubilities, the conten of main ions in water varies with the content of TDS. Whereas the content of TDS is over 100 g/L, the content of SO42-、HCO3-、Mg2+and Ca2+ in lakes descend. 4. The result of isotope analyzing indicate the lakes and groundwater in southeast desert have a similar vaporing trend with the groundwater in the southeast margin of the desert. It imply there would have some kind of contact between groundwater in margin and lakes of southeast desert. 5. Contrasting with isotope results of groundwater in other arid area, it show that the groundwater in the desert and Yabulai area should be phreatic water which have a low water table. Therefore, we conclude that the groundwater in southeast part of the desert and southern margin mainly are recharged by precipitation of local abundant rainfall and groundwater of low mountain of southern area. 6. And all of these evidences, which are different from salinity, the content of CO32- and geological data, show that the bigger northern lake group and southeastern lake group in the desert have different groundwater replenishing system because a fold belt lie between of the two group lakes and obstruct them in landform. and HCO3- 7. The 14C dating results of fossil and lacustrine deposits show that there maybe have a wider range of shoreline during early and middle Holocene than today. 8. By the discovery and study of some pieces of pottery and fine stoneware, we preliminary conclude that there maybe have some certain amount of early human activities in the Badain Jaran Desert.

数据驱动型多次波衰减方法的研究

In the practical seismic profile multiple reflections tend to impede the task of even the experienced interpreter in deducing information from the reflection data. Surface multiples are usually much stronger, more broadband, and more of a problem than internal multiples because the reflection coefficient at the water surface is much larger than the reflection coefficients found in the subsurface. For this reason most attempts to remove multiples from marine data focus on surface multiples, as will I. A surface-related multiple attenuation method can be formulated as an iterative procedure. In this essay a fully data-driven approach which is called MPI —multiple prediction through inversion (Wang, 2003) is applied to a real marine seismic data example. This is a pretty promising scheme for predicting a relative accurate multiple model by updating the multiple model iteratively, as we usually do in a linearized inverse problem. The prominent characteristic of MPI method lie in that it eliminate the need for an explicit surface operator which means it can model the multiple wavefield without any knowledge of surface and subsurface structures even a source signature. Another key feature of this scheme is that it can predict multiples not only in time but also in phase and in amplitude domain. According to the real data experiments it is shown that this scheme for multiple prediction can be made very efficient if a good initial estimate of the multiple-free data set can be provided in the first iteration. In the other core step which is multiple subtraction we use an expanded multi-channel matching filter to fulfil this aim. Compared to a normal multichannel matching filter where an original seismic trace is matched by a group of multiple-model traces, in EMCM filter a seismic trace is matched by not only a group of the ordinary multiple-model traces but also their adjoints generated mathematically. The adjoints of a multiple-model trace include its first derivative, its Hilbert transform and the derivative of the Hilbert transform. The third chapter of the thesis is the application for the real data using the previous methods we put forward from which we can obviously find the effectivity and prospect of the value in use. For this specific case I have done three group experiments to test the effectiveness of MPI method, compare different subtraction results with fixed filter length but different window length, invest the influence of the initial subtraction result for MPI method. In terms of the real data application, we do fine that the initial demultiple estimate take on a great deal of influence for the MPI method. Then two approaches are introduced to refine the intial demultiple estimate which are first arrival and masking filter respectively. In the last part some conclusions are drawn in terms of the previous results I have got.

Synthesis of a group of diosgenyl saponins with combined use of glycosyl trichloroacetimidate and thioglycoside donors

With the combined use of glycosyl trichloroacetimidates and thioglycosides, a group of natural diosgenyl saponins (1-6) are efficiently synthesized, in either a stepwise or a 'one-pot' manner. The trichloroacetimidate is employed as an efficient temporary hydroxy protecting group in glycosylation with the glycosyl trichloroacetimidate. The intermolecular alkylthio-group transfer is demonstrated to be a common side-reaction during glycosylation with thioglycosides.

Trichloroacetimidate as an efficient protective group for alcohols

The trichloroacetimidate is disclosed to be a general and efficient protective group for alcohols, which can be deprotected under mild acidic, basic, or neutral conditions, and has orthogonal stability with the acetate and tert-butyldimethylsilyl (TBS) protections.

Synthesis of a group of diosgenyl saponins by a one-pot sequential glycosylation

A group of natural diosgenyl saponins was synthesized in a highly efficient manner employing the 'one-pot sequential glycosylation' protocol with the combined use of glycosyl trichloroacetimidates and thioglycosides. (C) 1999 Elsevier Science Ltd. All rights reserved.

Application of dynamical Lie algebraic method to atom-diatomic molecule scattering

The dynamical Lie algebraic approach developed by Alhassid and Levine combined with intermediate picture is applied to the study of translational-vibrational energy transfer in the collinear collision between an atom and an anharmonic oscillator. We find that the presence of the anharmonic terms indeed has an effect on the vibrational probabilities of the oscillator. The computed probabilities are in good agreement with those obtained using exact quantum method. It is shown that the approach of dynamical Lie algebra combining with intermediate picture is reasonable in the treating of atom-anharmonic oscillator scattering.