A Mixture Model of Truncated Zeta Distributions with Applications to Scientific Collaboration Networks

The degree distribution has attracted considerable attention from network scientists in the last few decades to have knowledge of the topological structure of networks. It is widely acknowledged that many real networks have power-law degree distributions. However, the deviation from such a behavior often appears when the range of degrees is small. Even worse, the conventional employment of the continuous power-law distribution usually causes an inaccurate inference as the degree should be discrete-valued. To remedy these obstacles, we propose a finite mixture model of truncated zeta distributions for a broad range of degrees that disobeys a power-law behavior in the range of small degrees while maintaining the scale-free behavior. The maximum likelihood algorithm alongside the model selection method is presented to estimate model parameters and the number of mixture components. The validity of the suggested algorithm is evidenced by Monte Carlo simulations. We apply our method to five disciplines of scientific collaboration networks with remarkable interpretations. The proposed model outperforms the other alternatives in terms of the goodness-of-fit.     

Preparation of a two-state mixture of ultracold fermionic atoms with balanced population subject to the unstable magnetic field

We report a novel method to prepare a mixture of ~(40)K Fermi gas having an equal population of the two ground magnetic spin states confined in an optical dipole trap, in the presence of an noisy quantization(magnetic) field. We realize the equal population mixture by applying a series of RF pulses. We observe the dependence of the population distribution between two spin states on the number of the applied RF pulses and find that the decoherence effects leading to the population fluctuations are overcome by the high number of RF pules. Our demonstrated technique can be potentially used in the precision measurement experiments with ultracold gases in noisy environments.     

超临界CO2-DME混合物竖直圆管内传热特性数值研究

本文采用RNG k-ε湍流模型对超临界CO₂/DME(二甲醚)二元混合工质在竖直圆管内的传热特性进行了数值模拟研究。管径4 mm,管长为1000 mm;CO₂/DME浓度配比分别为97/3、95/5、92/8、90/10、85/15、以及70/30;质量流速为125~200 kg·m^-2.s^-1;热流密度为15~30 kW.m^-2,入口温度295~308 K,入口压力8~15 MPa。不同浓度配比的混合工质在各自临界压力下应用时,随着DME浓度的增加,换热系数的峰值逐渐减低,但在温度大于310 K时混合工质的换热系数会高于纯CO₂。压力相同时,随着DME浓度的增大,拟临界温度升高,换热系数峰值点也随之向温度升高的方向移动。混合工质的换热系数随质量流速的增大而增大。在拟临界点前,增大热流密度及降低压力对管内传热有利,而在拟临界点之后,换热系数随热流密度的升高以及压力的降低而降低。     

Asymmetric solution-phase mixture aldol reaction using oligomeric ethylene glycol tagged chiral oxazolidinones

Sorting tags are oligomeric structures that can be used as protecting groups or chiral auxiliaries enabling solution-phase mixture syntheses of multiple tagged compounds in one pot and allowing for facile and predictable chromatographic separation of products at the end of synthetic sequences. Perfluorinated hydrocarbon and oligomeric ethylene glycol (OEG) derivatives are known classes of sorting tags. Herein we describe the preparation of OEGylated chiral oxazolidinones and their use in asymmetric solution-phase mixture aldol reactions. Through the use of such oxazolidinones based on tyrosine four different individually tagged aldol adducts were obtained as a mixture, chromatographically demixed, detagged, and it was shown that these processes gave the desired aldol products in good yield and enantioselectivity.     

Determination of polarity parameters for liquid crystals using solvatochromic method in anisotropic and isotropic phases

The use of liquid crystals (LCs) as anisotropic solvents is desired for various potential applications and usually for other organic and inorganic compounds. In this work, solvent polarity parameters are obtained using a spectroscopic method for four LCs with a range of high and low dielectric anisotropy (?ε). Solvatochromic polarity parameters for these LCs were defined via Kamlet–Abboud–Taft polarity functions characterizing different temperatures and phases, isotropic and anisotropic, and using the Reichardt’s dye and 2,6-diphenyl-4-(2,4,6-triphenyl-1-pyridinio) phenolate standard probe. The investigated polarity parameters reveal the effects of LC media on the photo-physical behaviour of solute molecules in isotropic and anisotropic media. Subsequently, a new LC polarity parameter (Z_o) is introduced as an overall matrix anisotropy polarity parameter to characterize variation between isotropic and anisotropic phases. The values of Z_o are sorted from higher to lower dielectric anisotropies (?ε).     

Effect of fluorination on the phase sequence,dielectric and electro-optical properties of ferroelectric and antiferroelectric mixtures

Four multicomponent room temperature mixtures were formulated using a pyrimidine-based achiral matrix as host and four terphenyl-based ester chiral compounds as dopants. Among the four mixtures, two exhibit antiferroelectric and two other exhibit ferroelectric phases at room temperature. Dopant molecules differ from each other by position and number of fluorine atom substitution at the benzoate group of the molecular rigid core. Number and location of fluorine atoms in the dopant structure show significant effect on the phase sequences as well as on different physical properties. All the mixtures found to have moderate spontaneous polarisation, high tilt angle, very fast switching time and low viscosity which are important for liquid crystal-based display applications.     

Excess Gibbs energies and volumes of the ternary system chloroform + tetrahydrofuran + cyclohexane at 298.15 K

Vapour–liquid equilibria and densities for the ternary system chloroform + tetrahydrofuran + cyclohexane and for the binary mixtures containing chloroform have been determined at 298.15 K. Vapour–liquid equilibrium data have been collected by head-space gas-chromatographic analysis of the vapour phase directly withdrawn from an equilibration apparatus. Density measurements have been carried out by means of a vibrating tube densimeter. Molar excess Gibbs energies G^E and volumes V^E, as well as activity coefficients and apparent molar volumes of the components, have been obtained from the measured quantities and discussed. The binary chloroform + tetrahydrofuran displays negative deviations from ideality, while chloroform + cyclohexane positive deviations, for both volume and Gibbs energy. The G^E's and V^E's for the ternary system are positive in the region rich in cyclohexane while negative in the region rich in chloroform + tetrahydrofuran. This indicates that hydrogen bonding between chloroform and tetrahydrofuran molecules produces negative values of G^E and V^E and strongly influences the behaviour of the ternary system.     

New observation on a class of old reactions:Chemoselectivity for the solvent-free reaction of aromatic aldehydes with alkylketones catalyzed by a double-component inorganic base system

Solvent-free reactions of aromatic aldehydes with three representative ketones,including acetophenone,acetone and cyclohexanone,have been examined under the catalysis of a low-cost inorganic base system consisting of NaOH and K2CO3.It was found that the chemoselectivity of the reactions is in close relationship with the composition of the reactants and the doublecomponent catalyst.Under the optimized experimental conditions,1,2,3,4,5-pentasubstituted cyclohexanols,α,β-unsaturated ketones and Claisen-Schmidt...     

Determination of phenylephrine hydrochloride and chlorpheniramine maleate in binary mixture using chemometric-assisted spectrophotometric and high-performance liquid chromatographic-UV methods

Four methods have been developed for the simultaneous determination of phenylephrine hydrochloride and chlorpheniramine maleate without previous separation. In the first method both drugs are determined using first derivative UV spectrophotometry, with zero-crossing measurement. The second method depends on first derivative of the ratios spectra. The third method describes the use of multivariate spectrophotometric calibration for the simultaneous determination of the analyzed binary mixture where the resolution is accomplished by using partial least squares (PLS) regression analysis. In the fourth method (HPLC), a reversed-phase column and a mobile phase of methanol:water:acetonitrile (80:12:8 v/v/v/) at 0.9 ml/min flow rate have been used to separate both drugs with a UV detection at 270 nm. All the proposed methods are extensively validated. They have the advantage to be economic and time saving. All the described methods can be readily utilized for analysis of pharmaceutical formulations. The results obtained using the proposed methods are statistically analyzed and compared with some reported methods.     

Molecular dynamics simulation study of association in trifluoroethanol/water mixtures

Mixtures of Trifluoroethanol (TFE) and water with different proportions are studied using molecular dynamics simulations. The radial and spatial distribution functions, as well as the size distribution of TFE clusters are obtained from the trajectories. The variation of radial and spatial distribution functions with composition show that the addition of TFE enhances the water structure, but the hydrogen bonds between TFE molecules are broken as TFE is diluted with water. The TFE‐rich solutions have stronger TFE–water hydrogen bonds. The clustering of TFE molecules in low concentration region is attributed to the hydrophobic interactions between CF₃ groups. The distribution of cluster sizes in solution supports these conclusions. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010