含氮杂环类润滑油添加剂CoMFA-QSTR及CoMSIA-QSTR抗磨损性能模型的构建

依据摩擦学定量构效关系理论(QSTR),采用比较分子力场分析(CoMFA)和比较分子相似性指数分析(CoMSIA)这两种方法研究了含氮杂环类润滑油添加剂的抗磨损性能的摩擦学三维定量构效关系(3D-QSTR),并建立了相应的3D-QSTR模型.结果表明:仅利用静电场构建CoMFA或CoMSIA模型时,模型预测能力最好,r~2,q~2均大于0.5.根据CoMFA或CoMSIA模型等高线图分析得出:分子静电场对含氮杂环类润滑油添加剂的抗磨损性能影响最大,在特定区域的引入带负电荷或带正电荷的基团将有助于抗磨性能的提高.     

Essential and continuous spectrum of symmetric difference equations

Essential and continuous spectrum of symmetric difference equations have been investigated. It has been shown that the deficiency indices and the existence of these components of the spectrum are determined by the growth conditions of the coefficients. In particular, the deficiency indices are superimposition of those clusters determined by the coefficient growth. Finally, we have proved the neccessary and sufficient conditions for the existence of essential spectrum of selfadjoint subspace extensions using subspace theory and asymtotic summation.     

Gas chromatographic and IR spectroscopic characteristics of tri- and tetramethylcyclohexenyl butenyl ketones

Infrared spectroscopic characteristics and gas chromatographic retention indices of tri- and tetramethylcyclohexenyl butenyl ketones were determined at different temperatures of analysis. Thermodynamic characteristics of sorption on the apolar stationary phase were calculated. The sorption characteristics of tri- and tetramethylcyclohexenyl butenyl ketones show that under conditions of capillary gas chromatography these compounds are retained due to the dispersive energy. It was shown by FTIR spectroscopy that the formation of conjugation systems of double bonds is responsible for the higher retention of the -isomers compared with that of the -isomers. The shortening of the distance between the carbonyl and trimethylcyclohexenyl groups was found to be accompanied by a decrease in the retention of the isomeric compounds.     

Estimation of vector ARMAX models

The asymptotic properties of maximum likelihood estimates of a vector ARMAX system are considered under general conditions, relating to the nature of the exogenous variables and the innovation sequence and to the form of the parameterization of the rational transfer functions, from exogenous variables and innovations to the output vector. The exogenous variables are assumed to be such that the sample serial covariances converge to limits. The innovations are assumed to be martingale differences and to be nondeterministic in a fairly weak sense. Stronger conditions ensure that the asymptotic distribution of the estimates has the same covariance matrix as for Gaussian innovations but these stronger conditions are somewhat implausible. With each ARMAX structure may be associated an integer (the McMillan degree) and all structures for a given value of this integer may be topologised as an analytic manifold. Other parameterizations and topologisations of spaces of structures as analytic manifolds may also be considered and the presentation is sufficiently general to cover a wide range of these. Greater generality is also achieved by allowing for general forms of constraints.     

Capillary gas chromatography-mass spectrometry of all 93 acyclic octenes and their identification in fluid catalytic cracked gasoline

The Kováts retention indices of all 93 acyclic octenes on polydimethylsiloxane and squalane as stationary phases as well as their mass spectra were measured. The means of gas chromatography-mass spectrometry (GC-MS) were used for confirmation of GC identification as well as for mass spectrometric deconvolution of the majority of gas chromatographic unseparated isomeric octene peaks. The distinction between corresponding E and Z acyclic octenes, that is either difficult or even impossible by means of GC-MS, was obtained on the basis of larger temperature coefficients of retention indices for Z isomeric octenes than for corresponding E isomers. The retention data expressed as homomorphy factors were correlated with the degree of branching, position of double bond, and position of alkyl group with respect to the double bond of acyclic octenes, and the structure-retention relationships were formulated. The 81 acyclic octenes were identified in FCC gasoline.     

Deficiency Indices of a Symmetric Ordinary Differential Operator with Infinitely Many Degeneration Points

Let H be the minimal symmetric operator in L ²() generated by the differential expression (-1) ⁿ (c(x)f ⁽ⁿ⁾)⁽ⁿ⁾, n 1, with a real coefficient c(x) that has countably many zeros without finite accumulation points and is infinitely smooth at all points x with c(x) 0. We study the value Def H of the deficiency indices of H. It is shown that DefH=+ if infinitely many zeros of c(x) have multiplicities p satisfying the inequality n – 1/2 < p < 2n – 1/2. Our second result pertains to the case in which the set of zeros of c(x) is bounded neither above nor below. Under this condition, Def H = 0 provided that the multiplicity of each zero is greater than or equal to 2n – 1/2. The multiplicities of zeros of c(x) are understood in the paper in a broader sense than in the standard definition.     

Interpolation between and

We show that if is a rearrangement invariant space on that is an interpolation space between and and for which we have only a one-sided estimate of the Boyd index 1/p, 1 < p < \infty$">, then is an interpolation space between and . This gives a positive answer for a question posed by Semenov. We also present the one-sided interpolation theorem about operators of strong type and weak type .

     

Use of topological indices of polychlorinated biphenyls in structure-retention relationships

Topological parameters (Balaban index and electrotopological index) were used as structural parameters in the structure-retention relationships (SRRs). These relationships were found to be statistically valid and useful in the prediction of retention data of polychlorinated biphenyls (PCBs) despite of the temperature program used in the gas chromatographic experiment.     

Helly-type theorems for homothets of planar convex curves

Helly's theorem implies that if is a finite collection of (positive) homothets of a planar convex body , any three having non-empty intersection, then has non-empty intersection. We show that for collections of homothets (including translates) of the boundary , if any four curves in have non-empty intersection, then has non-empty intersection. We prove the following dual version: If any four points of a finite set in the plane can be covered by a translate [homothet] of , then can be covered by a translate [homothet] of . These results are best possible in general.

     

An enhanced common path interference optic measurement system for refractive indices and thickness

This study proposes a common path interference optical system for the measurement of refractive indices and thickness of uniaxial crystal material. The measurement system comprises an accurate Mach–Zehnder laser interferometer, a single-axis rotary stepping motor, and a computer. The laser interferometer is composed of a single-frequency He–Ne laser, two-beam splitters and two reflectors. The Mach–Zehnder laser interferometer measures the optical length difference by using its linear measurement accuracy. The proposed solution procedure enables both the refractive indices and the thickness of the optical waveplate to be obtained. The proposed design differs from conventional designs in that it does not use a heterodyne modulator with a lock-in technique. It is shown that the refractive indices and thickness of the tested optical elements can be measured rapidly and accurately.