Volumetric, ultrasonic and viscometric studies of binary mixtures of dimethyl sulphoxide with chloro and nitro substituted aromatic hydrocarbons at T = 303.15 K

Excess volumes (V^E) ultrasonic sound velocities (u), isentropic compressibilities (K_s) and viscosities (η) have been measured for the binary mixtures of dimethylsulphoxide (DMSO) with 1,2-dichlorobenzene, 1,3-dichlorobenzene, 1,2,4-trichlorobenzene, o-chlorotoluene, m-chlorotoluene, p-chlorotoluene, o-nitrotoluene and m-nitrotoluene at T = 303.15 K. The measured V^E values were positive over the entire composition range in all the binary mixtures. Isentropic compressibilities (K_s) have been computed for the same systems from precise sound velocity and density data. Further, deviation in isentropic compressibility (ΔK_s) from ideal behaviour was also calculated. The viscosity data are analysed on the basis of corresponding states approach. Deviation in viscosities are positive over the entire composition range. The measured data is explained on the basis of intermolecular interactions between unlike molecules.     

一种新型极性脲丙基-C30固定相的制备和性能评价

以3-脲丙基三甲氧基硅烷为偶联剂，制备了一种新型极性脲丙基-C30（TPU-C30）反相色谱固定相。采用扫描电子显微镜、元素分析、红外光谱和热分析等对该固定相进行表征。结果表明，TPU-C30固定相已成功制备，连续制备3次固定相，其元素含量的相对偏差均小于5%，说明该合成工艺重复性良好。以不同极性、位置异构、碱性化合物为溶质探针，以传统的C18色谱柱与C30色谱柱为参比，对制备的固定相的色谱性能进行了研究。研究结果表明，TPU-C30固定相具有不同于传统C18柱、C30柱的选择性和更优的择形性，明显改善了碱性物质的峰形，其具有广阔的应用空间。     

Variation of physicochemical properties in the aggregates of structual isomers

The regions of variation of density, enthalpy of formation, and detonation velocity of all of the formally possible structual isomers were determined for several molecular formulas of C,H,N,O-containing explosives. The histograms of the distribution of the structual isomers over these parameters were constructed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 5, pp. 859–862, May, 1995.The authors are grateful to Mrs. I. D. Solodukhina for the design of the graphical material.The work was carried out with the financial support of the Russian Foundation for Basic Research (Project No. 94-03-09323).     

The nonsymmetric pressure tensor in polyatomic fluids

Nonequilibrium molecular dynamics calculations are used to show that polyatomic fluids can support antisymmetric stress. In a homogeneous system where the time dependence of vorticity is a step function, it is shown that the rate at which intrinsic angular velocity approaches its steady-state value ( = 1/2 × u) is determined by the magnitude of the antisymmetric part of the pressure tensor.     

Cooling Characteristics During Bath Quenching of Test Probe Using Inverse Heat Transfer

It is of engineering importance to accurately predict the surface cooling characteristics in bath quenching of metals and alloys. In this investigation, the surface cooling characteristics in quenching of Wolfson probe are estimated with reasonable accuracy by solving an inverse heat conduction problem. Regularization method is used for smoothening the input temperature measurements at probe center, for superior inversion estimates. The reverse pool-boiling curve is captured on bath quenching characteristic, plotted as cooling velocity versus surface temperature. The prime advantage is the bypassing of convection coefficients, which are uncertain in pool boiling.     

The effective ionization coefficients and electron drift velocities in gas mixtures of CF3I with N2 and CO2 obtained from Boltzmann equation analysis

The electron swarm parameters including the density-normalized effective ionization coefficients(α-η)/N and the electron drift velocities V e are calculated for a gas mixture of CF3I with N2 and CO2 by solving the Boltzmann equation in the condition of a steady-state Townsend(SST) experiment.The overall density-reduced electric field strength is from 100 Td to 1000 Td(1 Td = 10-17V·cm2),while the CF3I content k in the gas mixture can be varied over the range from 0% to 100%.From the variation of(αη)/N with the CF3I mixture ratio k,the limiting field strength(E/N) lim for each CF3I concentration is derived.It is found that for the mixtures with 70% CF3I,the values of(E/N) lim are essentially the same as that for pure SF 6.Additionally,the global warming potential(GWP) and the liquefaction temperature of the gas mixtures are also taken into account to evaluate the possibility of application in the gas insulation of power equipment.     

Experimental and numerical investigation of aramid fibre reinforced laminates subjected to low velocity impact

The low velocity impact performance of domestic aramid fibre reinforced laminates is investigated experimentally and numerically. Laminates with different thicknesses are impacted by drop-weight test machine under different impact energies. The time histories of impact force are recorded and ultrasonic C-scan technology is used to inspect the internal damage of the laminates. Numerical simulation is conducted using finite element method (FEM), taking into account both intralaminar and interlaminar damage. The intralaminar damage model is based on the continuum damage mechanics (CDM) approach, which consists of the strain-based Hashin failure criteria and the exponential damage evolution law, and considers the nonlinear shear behaviour of the material. The interlaminar damage is simulated by interface elements with cohesive zone model. The numerical results show good agreements with the experiments, thus verifying the validity of the presented numerical model.     

Single-Round DNA Aptamer Selection by Combined Use of Capillary Electrophoresis and Next Generation Sequencing: An Aptaomics Approach for Identifying Unique Functional Protein-Binding DNA Aptamers

In DNA aptamer selection, existing methods do not discriminate aptamer sequences based on their binding affinity and function and the reproducibility of the selection is often poor, even for the selection of well-known aptamers like those that bind the commonly used model protein thrombin. In the present study, a novel single-round selection method (SR-CE selection) was developed by combining capillary electrophoresis (CE) with next generation sequencing. Using SR-CE selection, a successful semi-quantitative and semi-comprehensive aptamer selection for thrombin was demonstrated with high reproducibility for the first time. Selection rules based on dissociation equilibria and kinetics were devised to obtain families of analogous sequences. Selected sequences of the same family were shown to bind thrombin with high affinity. Furthermore, data acquired from SR-CE selection was mined by creating sub-libraries that were categorized by the functionality of the aptamers (e. g., pre-organized aptamers versus structure-induced aptamers). Using this approach, a novel fluorescent molecular recognition sensor for thrombin with nanomolar detection limits was discovered. Thus, in this proof-of-concept report, we have demonstrated the potential of a “DNA Aptaomics” approach to systematically design functional aptamers as well as to obtain high affinity aptamers.     

Random frog: An efficient reversible jump Markov Chain Monte Carlo-like approach for variable selection with applications to gene selection and disease classification

The identification of disease-relevant genes represents a challenge in microarray-based disease diagnosis where the sample size is often limited. Among established methods, reversible jump Markov Chain Monte Carlo (RJMCMC) methods have proven to be quite promising for variable selection. However, the design and application of an RJMCMC algorithm requires, for example, special criteria for prior distributions. Also, the simulation from joint posterior distributions of models is computationally extensive, and may even be mathematically intractable. These disadvantages may limit the applications of RJMCMC algorithms. Therefore, the development of algorithms that possess the advantages of RJMCMC methods and are also efficient and easy to follow for selecting disease-associated genes is required. Here we report a RJMCMC-like method, called random frog that possesses the advantages of RJMCMC methods and is much easier to implement. Using the colon and the estrogen gene expression datasets, we show that random frog is effective in identifying discriminating genes. The top 2 ranked genes for colon and estrogen are Z50753, U00968, and Y10871_at, Z22536_at, respectively. (The source codes with GNU General Public License Version 2.0 are freely available to non-commercial users at: http://code.google.com/p/randomfrog/.)