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111.
Pongaglabol [8-hydroxy-5-phenyl-furo[2,3-h]benzo(b)pyran-7-one] was synthesized and tested for antibacterial effects againstShigella dysenteriae, Salmonella typhi, Streptococcus β-haemolyticus andStaphylococcus aureus. The synthesized compounds were characterized using UV, IR and1H NMR spectral data 相似文献
112.
113.
在分子拓扑理论的基础上,构建了新的结构信息价连接性指数mχY和取代基染色指数I,并用它们研究了3 乙氧基 6 取代苯氧基哒嗪的除草活性pI50与其结构之间的定量关系,给出了相关方程,相关性良好,复相关系数分别为R1=0.9807、R2=0.9926、R3=0.9881,并预测了几个化合物的pI50值,预测值pI50(cal.)与测定值pI50(exp.)相当吻合.新方法计算方便、结果可靠. 相似文献
114.
Possible triggering of solar activity to big earthquakes (Ms ≥ 8) in faults with near west-east strike in China 总被引:1,自引:0,他引:1
HAN Yanben GUO Zengjian WU Jinbing & MA Lihua . National Astronomical Observatories Chinese Academy of Sciences Beijing China . Earthquake Research Institute of Lanzhou CSB Lanzhou China Correspondence should be addressed to Han Yanben 《中国科学G辑(英文版)》2004,(2)
A big earthquake (Ms = 8.1) occurred at western Kunlun Mts gap on November 14, 2001. It is the biggest earthquake in China in the past 50 years and the only one with a magnitude bigger than 8 in China after Dangxiong Earthquake (M = 8) in Tibet in 1951. The big earthquake has drawn wide attention of scientists in seismological, geophysical, geological and astro-geodynamic circles. Scientists are interested in the occurrence regularity of the very big earthquakes and try to find out the fac… 相似文献
115.
Several sophisticated methods to solution of symmetry specified enumeration problems are available in the modern literature.
In this paper we propose a simple technique that allows one to manually compute the exact numbers of fixed-symmetry derivatives
for a given structure either with inclusion or ignoring the substitution patterns. The basic idea of the method suggested
consists in the derivation of Pólya-like cycle indices for the automorphism groups of specially constructed orbit partition
graphs; the expansion of these indices and subsequent simple calculations result in the desired numbers of substituted derivatives
with achiral substituents. Limitations of the new technique (and a method suggested earlier) depend on the relevance of the
orbit partitions for particular subgroups of the point symmetry group. For illustration purposes, the results obtained for
the prismane (D
3h
) and adamantane (T
d
) structures are discussed. In the former case the numbers of substituted derivatives can be found for all subgroups of the
D
3h
group, whereas in the latter case these numbers can be determined for eight out of eleven subgroups of the T
d
point symmetry group.
This work is based on the text of the lecture presented by the authors at the 5th All-Russia Conference on Molecular Modeling
(Moscow, April 2007). The paper deals with the methodology and detailed treatment of applied aspects related to solution of
enumeration problems for substituted derivatives with prescribed symmetry groups. Unlike the known methods of symmetry specified
enumeration, the technique suggested is simple enough and may be regarded as generalization of the Pólya methodology, which
is widely used by chemists.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 227–245, February, 2008. 相似文献
116.
Periodica Mathematica Hungarica - Let X 1,X 2,... be a sequence of independent and identically distributed random variables, and put % MATHTYPE!MTEF!2!1!+-%... 相似文献
117.
A general and controlled bidirectional growth strategy enable a very rapid and efficient construction of oligo(phenyleneethynylene)s possessing functional groups such as methylthio and thioacetate groups at both ends. The strategy employs only one reaction type with good to moderate yields to grow the conjugated chains. The synthesis is efficient and can give 23 benzene rings and 22 carbon-carbon triple bonds in the conjugated chains. The compounds are fully characterized by 1H and 13C NMR and UV/vis and fluorescence spectroscopy. 相似文献
118.
We consider a discretized volume V consisting of finite, congruent and attached copies of a tile t. We find a group L
V
the orbit of which, when applied to t, is just V. We show the connection between the structural matrixQ in the formal solution of a boundary value problem formulated for volume V and the so called auxiliary matrix of the graph Γ
v
associated with V. We show boundary value problems to be isomorphic if the graphs associated with the volumes are isomorphic, or, if the covering
groups are Sunada pairs. 相似文献
119.
Armin C. Schneider Christoph Pasel Michael Luckas Klaus Gerhard Schmidt Jan-Dirk Herbell 《Journal of solution chemistry》2004,33(3):257-273
The single ion activity coefficients of hydrogen and chloride ions in aqueous HCl solutions have been estimated at 25°C at concentrations up to 1 mol-kg–1, using potentiometric measurements with ion-selective electrodes and appropriate calibration procedures. Two methods are described for an internal calibration of the electrodes in the extended Debye–Hückel concentration range. The results are compared to the conventional pH calibration with external buffer solutions. Since the latter calibration method does not account for the liquid junction potential E
J which arises at the reference electrode, the resulting activity coefficients are quite different in HCl solutions of higher concentration. These differences between internal and external calibration decrease significantly, when a correction for E
J is introduced into the conventional pH calibration. Hence, in solutions of higher ionic strength the accuracy of the conventional pH electrode calibration using buffer solutions is very limited, when exact H+ activities are required. The consistency of the results indicates that the liquid junction potentials in the examined systems calculated by the Henderson/Bates approximation are of reasonable precision. 相似文献
120.