不同反应条件对非氰化钠路线合成巴丹的影响

以N ,N -二甲基 - 2 ,3-二氯丙胺为原料 ,与硫氰化钠反应 ,再经醇解制得产品巴丹 ,正构体含量为 97% ,收率为 5 4 5 %。同时对反应的 pH值、时间和温度作了研究。

十二表冗余捷联惯导系统数据融合技术研究

针对采用正十二面体冗余仪表构型的十二表冗余捷联惯性导航系统,通过仿真和样机试验,开展了基于最小二乘估计的数据融合算法研究。对不同故障模式下的系统精度进行了分析,并通过Monte Carlo仿真验证了数据融合算法对提高系统导航精度的有效性。设计开展了样机静态导航试验,试验结果表明,理论最优的马尔柯夫估计并不完全适用于脉冲输出形式仪表的数据融合。最后通过优化改进加权系数、构造加权矩阵,显著提升了样机的静态导航精度,使样机位置误差和姿态误差与三表直接解算相比分别降低了78.6%和77.9%。

Revising Space Groups from Simulated SHELXfcf Structure Factors. More Examples of Incorrect Space Groups, an Example of a Chemically-Incorrect Structure and the Special Case of Pgl to PRevisions

The structure factors of any crystal structure can be simulated from its atomic coordinates (and temperature factors) in a SHELXL-97 run on a dummy hkl in which only the scale factor is refined. The squares of the structure factors are retrieved from the fcf, and such simulated data are used in the revision of the space groups of several incorrectly-refined crystal structures. Two cases, a P1 to P1 revision and a chemically-incorrect structure that is refined in a correct space group, are discussed.

A New Kind of Conjugate-nested Central Configurations in Consisted of One Regular Tetrahedron and One Regular Octahedron

A new case configuration in R^3, the conjugate-nest consisted of one regular tetrahedron and one regular octahedron is discussed. If the configuration is a central configuration, then all masses of outside layer are equivalent, the masses of inside layer are also equivalent. At the same time the following relation between ρ（r =√3/3ρ is the radius ratio of the sizes） and mass ratio τ=~↑m/m must be satisfied τ=~↑m/m=ρ（ρ＋3）（3＋2ρ＋ρ^2）^-3/2＋ρ（-ρ＋3）（3-2ρ＋ρ^2）^-3/2-4.2^-3/2ρ^-2-^-1ρ^-2/2（1＋ρ）（3＋2ρ＋ρ^2）^-3/2＋2（ρ-1）（3-2ρ＋ρ^2）^-3/2-4（2√2）^-3ρ, and for any mass ratio τ, when mass ratio r is in the open interval （0, 0.03871633950 ... ）, there exist three central configuration solutions（the initial configuration conditions who imply hamagraphic solutions） corresponding radius ratios are r1, r2, and r3, two of them in the interval （2.639300779… , ＋∞） and one is in the interval （0.7379549890…, 1.490942703… ）. when mass ratio τ is in the open interval （130.8164950… , ＋∞）, in the same way there have three corresponding radius ratios, two of them in the interval （0, 0.4211584789... ） and one is in the interval （0.7379549890…, 1.490942703…）. When mass ratio τ is in the open interval （0.03871633950…, 130.8164950…）, there has only one solution r in the interval （0.7379549890…, 1.490942703… ）.

Existence and Uniqueness of Nested Regular Quadrilateral Central Configurations

Two cases of the nested configurations in R3 consisting of two regular quadrilaterals are discussed. One case of them do not form central configuration, the other case can be central configuration. In the second case the existence and uniqueness of the central configuration are studied. If the configuration is a central configuration, then all masses of outside layer are equivalent, similar to the masses of inside layer. At the same time the following relation between r(the ratio of the sizes) and mass ratio b = m/m must be satisfied in which the masses at outside layer are not less than the masses at inside layer, and the solution of this kind of central configuration is unique for the given ratio (6) of masses.

The design, synthesis and α7 nicotinic acetylcholine receptors positive allosteric modulative evaluation of 3H-quinazolin-4-one derivatives

A series of new 6-substituted 3 H-quinazolin-4-ones（3 a-3 d） were designed, synthesized and evaluated as the type I positive allosteric modulators（PAMs） of human α7 n ACh R expressed in Xenopus ooctyes by two-electrode voltage clamp. However, no compound showed a better efficacious PAM than lead compound 2 in the presence of acetylcholine（100 μM）. The structure-activity relationship（SAR） analysis suggested that thiazolo[4,5-d]pyrimidin-7（6 H）-one was the key biological skeleton.

Autoignition of butanol isomers/n-heptane blend fuels on a rapid compression machine in N_2/O_2/Ar mixtures

Ignition delay times of butanol isomers/n-heptane mixture were measured using a rapid compression machine at compressed pressures of 15,20 and 30 bar,in the compressed temperature range of 650–830 K and equivalence ratio of 1.0.Sensitivity analysis and reaction fluxes analysis were performed using a detailed mechanism of blend fuels so as to evaluate the impact of n-heptane addition and temperature variation on the ignition and combustion process.Over the experimental conditions in this study,the blend fuels displays apparent low and high temperature reactions and a negative-temperature-coefficient(NTC)behavior.With increasing butanol isomers mole fraction in the mixtures,the ignition delay times increase.It is worth noting that the suppression to n-heptane ignition from tert-butanol is very limited.The ignition delay time of 40/60 tert-butanol/n-heptane mixture is smaller than other three kinds of blends.With the increasing of tert-butanol mole fraction,the increasing range of its ignition delay time is very large.Moreover,compressed pressure has a limited effect on the ignition of blend mixture at low temperature but certain influence at medium temperature arrange.Tert-butanol/n-heptane mixture is not sensitive to the pressure.The chemical analysis indicates that butanol isomers also present the NTC behavior because of the low temperature reactivity radicals pool produced by n-heptane.Reaction fluxes analysis shows that the n-heptane addition has little impact on the reaction path.Sensitivity analysis shows that for the pure n-butanol,2-butanol and iso-butanol fuel,H-abstraction from the?-carbon plays the dominant role in the reactions having the inhibiting effect on the low-temperature branching,while the H-abstraction from the?-carbon can promote the ignition;for tert-butanol/n-heptane mixtures,reaction R16.H2O2(+M)<=>OH+OH(+M)plays the leading role.For n-butanol/n-heptane,iso-butanol/n-heptane mixtures,the major promoting reactions include some H-abstraction from n-heptane and OH branching reactions,the influence of H-abstraction from?-carbon is weaken;For 2-butanol/n-heptane,tert-butanol/n-heptane mixtures,R16 plays an absolutely dominant role,while the major inhibiting reactions add some elementary reactions of small radicals.

Sonogashira coupling reaction in the synthesis of novel positive allosteric modulators ofα7 nicotinic acetylcholine receptors

A series of 2-arylamino-1,3,5-triazine derivatives(4a–4g),which were designed and synthesized via Sonogashira coupling reaction,were evaluated using two-electrode voltage clamp(TEVC)recordings of humanα7 nAChR expressed in Xenopus ooctyes.Compound 4g as a positive allosteric modulator(PAM)showed better efficacy than lead compound 3(HZZ-A-11)with an EC50 value of 1.23±0.41μM.Further pharmacological evaluation of compound 4g might lead to the developmental potential for therapy of cognitive deficits commonly shared by neuropsychiatric disorders,such as schizophrenia and Alzheimer’s disease.