A dissipation‐free numerical method to solve one‐dimensional hyperbolic flow equations

In this paper, a numerical method to capture the shock wave propagation in 1‐dimensional fluid flow problems with 0 numerical dissipation is presented. Instead of using a traditional discrete grid, the new numerical method is built on a range‐discrete grid, which is obtained by a direct subdivision of values around the shock area. The range discrete grid consists of 2 types: continuous points and shock points. Numerical solution is achieved by tracking characteristics and shocks for the movements of continuous and shock points, respectively. Shocks can be generated or eliminated when triggering entropy conditions in a marking step. The method is conservative and total variation diminishing. We apply this new method to several examples, including solving Burgers equation for aerodynamics, Buckley‐Leverett equation for fractional flow in porous media, and the classical traffic flow. The solutions were verified against analytical solutions under simple conditions. Comparisons with several other traditional methods showed that the new method achieves a higher accuracy in capturing the shock while using much less grid number. The new method can serve as a fast tool to assess the shock wave propagation in various flow problems with good accuracy.     

Influence of staff number and internal constellation on surgical site infection in an operating room

Prediction of bacteria-carrying particle (BCP) dispersion and particle distribution released from staff members in an operating room (OR) is very important for creating and sustaining a safe indoor environment. Postoperative wound infections cause significant morbidity and mortality, and contribute to increased hospitalization time. Increasing the number of personnel within the OR disrupts the ventilation airflow pattern and causes enhanced contamination risk in the area of an open wound. Whether the amount of staff within the OR influences the BCP distribution in the surgical zone has rarely been investigated. This study was conducted to explore the influence of the number of personnel in the OR on the airflow field and the BCP distribution. This was performed by applying a numerical calculation to map the airflow field and Lagrangian particle tracking (LPT) for the BCP phase. The results are reported both for active sampling and passive monitoring approaches. Not surprisingly, a growing trend in the BCP concentration (cfu/m³) was observed as the amount of staff in the OR increased. Passive sampling shows unpredictable results due to the sedimentation rate, especially for small particles (5–10 μm). Risk factors for surgical site infections (SSIs) must be well understood to develop more effective prevention programs.     

The relation between structure changes and thermal expansion in liquid indium

The structure of liquid indium in a wide temperature range has been investigated by means of X-ray diffraction and reverse Monte Carlo methods. Analysis of temperature dependence of the interatomic distances and coordination numbers allowed us to determine the existence of structural transformation in a liquid state. Moreover, it was found that at a temperature of 640 K thermal expansion coefficients, estimated from temperature dependence of interatomic distances, change its sign from negative to positive confirming the transformations in structure of liquid indium which are observed by temperature variations.     

Influence of staff number and internal constellation on surgical site infection in an operating room

Prediction of bacteria-carrying particle （BCP） dispersion and particle distribution released from staffmem- bers in an operating room （OR） is very important for creating and sustaining a safe indoor environment. Postoperative wound infections cause significant morbidity and mortality, and contribute to increased hospitalization time. Increasing the number of personnel within the OR disrupts the ventilation airflow pattern and causes enhanced contamination risk in the area of an open wound. Whether the amount of staffwithin the OR influences the BCP distribution in the surgical zone has rarely been investigated. This study was conducted to explore the influence of the number of personnel in the OR on the airflow field and the BCP distribution. This was performed by applying a numerical calculation to map the airflow field and Lagrangian particle tracking （LPT） for the BCP phase. The results are reported both for active sampling and passive monitoring approaches. Not surprisingly, a growing trend in the BCP concentration （cfu/ms） was observed as the amount of staff in the OR increased. Passive sampling shows unpredictable results due to the sedimentation rate, especially for small particles （5-10 i~m）. Risk factors for surgical site infections （SSls） must be well understood to develop more effective prevention programs.     

一类特定的AF-代数

讨论了一类特定的AF-代数,其上的恒等同态可以用一列有限维值域的自同态逐点逼近.给出了这类AF-代数的K-理论刻画,并给出了一个不在这一类中的RFD AF-代数的例子.     

Simultaneous derivatization and air-assisted liquid–liquid microextraction of some aliphatic amines in different aqueous samples followed by gas chromatography-flame ionization detection

The paper presents a new method based on simultaneous derivatization and air-assisted liquid–liquid microextraction (AALLME) for the extraction and preconcentration of some aliphatic amines prior to gas chromatography-flame ionization detection (GC-FID). Primary aliphatic amines are derivatized and extracted simultaneously by a fast reaction with butylchloroformate (derivatization agent/extraction solvent) under mild conditions. The mixture of butylchloroformate and aqueous sample solution is rapidly sucked into a 10-mL glass syringe and then is injected into a test tube with conical bottom and the procedure is repeated seven times. After centrifuging the resulted cloudy solution, the derivatized analytes in the sedimented phase are determined by GC-FID. The influence of main factors on the efficiency of derivatization/extraction procedure is studied. Under the optimal conditions, the enrichment factors (EFs) for aliphatic amines are obtained in the range of 248–360 and limits of detection (LODs) are between 0.30 and 2.6 μg L⁻¹. The obtained extraction recoveries ranged from 50 to 72% and the relative standard deviation (RSD) was less than 4.8% for intra-day (n = 6) and inter-days (n = 4) precision. The method is successfully applied to determine some aliphatic amines in environmental water samples.     

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities

A set of exchange‐correlation functionals, including BLYP, PBE0, B3LYP, BHandHLYP, CAM‐B3LYP, LC‐BLYP, and HSE, has been used to determine static and dynamic nonresonant (nuclear relaxation) vibrational (hyper)polarizabilities for a series of all‐trans polymethineimine (PMI) oligomers containing up to eight monomer units. These functionals are assessed against reference values obtained using the Møller–Plesset second‐order perturbation theory (MP2) and CCSD methods. For the smallest oligomer, CCSD(T) calculations confirm the choice of MP2 and CCSD as appropriate for assessing the density functionals. By and large, CAM‐B3LYP is the most successful, because it is best for the nuclear relaxation contribution to the static linear polarizability, intensity‐dependent refractive index second hyperpolarizability, static second hyperpolarizability, and is close to the best for the electro‐optical Pockels effect first hyperpolarizability. However, none of the functionals perform satisfactorily for all the vibrational (hyper)polarizabilities studied. In fact, in the case of electric field‐induced second harmonic generation all of them, as well as the Hartree–Fock approximation, yield the wrong sign. We have also found that the Pople 6–31+G(d) basis set is unreliable for computing nuclear relaxation (hyper)polarizabilities of PMI oligomers due to the spurious prediction of a nonplanar equilibrium geometry. © 2013 Wiley Periodicals, Inc.     

THE USE OF CARBOXYMETHYL ETHOXYLATE SURFACTANT TO DISSOLVE VITAMIN K1 AND TO OBTAIN LOW INTERFACIAL TENSION AND STABLE EMULSION SYSTEMS

Abstract

The presence of vitamin K₁ in human body is important for preventing the hemorrhagic disease. Due to its very long side chain, vitamin K₁ is highly insoluble in water. We have successfully dissolve a substantial amount of vitamin K₁ in solutions of a commercial surfactant containing carboxymethyl ethoxylates (Hüls B433) and obtained low interfacial tension (IFT) and stable emulsion systems. This paper will present the details of these experiments. The solubilization of vitamin K₁ was estimated from UV absorption. The IFT values were measured by using a spinning drop apparatus and all particle sizes were determined by using laser light scattering. By using the Hüls B433 surfactant and an optimum amount of CaCl₂, we can dissolve vitamin K₁ in water and obtain low IFT systems in the order of 10^?2 dyne/cm. The emulsions obtained in these systems are stable and contain droplet sizes below 65 nm. The dissolution of vitamin K₁ and the IFT behavior in these systems follow the rules for crude oil and prefer larger surfactant micelles.     

Novel high birefringence bistolane liquid crystals with lateral fluorosubstituent

Twelve compounds based on lateral fluorinated bistolane moieties with cyano or trifluoromethyl terminal groups were synthesised with Hagihara–Sonogashira cross-coupling reaction. The molecular structures of the compounds were confirmed by Fourier transform infrared, ¹H-nuclear magnetic resonance and mass spectrometry. The transition temperatures, optical textures and optical anisotropies were determined by differential scanning calorimetry, polarizing optical microscopy and ultraviolet microscopy. The effects of the terminal substituents and lateral fluorosubstituent group on their physical properties were investigated and discussed. The compounds with lateral double fluorosubstituent and cyano terminal group exhibited nematogenic texture, while other compounds showed smectic phase. All the compounds exhibited wide liquid crystal temperature ranges and high clearing points. Interestingly, the compounds have the high birefringence in the range of between 0.480 and 0.633.