Mean wave propagation in a slab of one-dimensional discrete random medium

A study has been made of the propagation of time harmonic waves through a one-dimensional medium of discrete scatterers randomly positioned over a finite interval L. The random medium is modeled by a Poisson impulse process with density λ. The invariant imbedding procedure is employed to obtain a set of initial value stochastic differential equations for the field inside the medium and the reflection coefficient of the layer. By using the Markov properties of the Poisson impulse process. exact integro-differential equations of the Kolmogorov-Feller type are derived for the probability density function of the reflection coefficient and the field. When the concentration of the scatterers is low, a two variable perturbation method in small λ is used to obtain an approximate solution for the mean field. It is shown that this solution, which varies exponentially with respect to λL, agrees exactly with the mean field obtained by Feldy's approximate method.     

A combinatorial/geometric analysis of convex cyclofusene

Previously, we presented an algorithm for counting Kekulé structures for parallelogram-like benzenoids with holes by counting descending paths using rectangular meshes with holes. In this article, we describe an algorithm to count Kekulé structures for convex cyclofusenes using a combinatorial/geometric approach.     

Solution conformation of longifolene and its precursor by NMR and ab initio calculations

We describe the conformation and stereospecific 1H and 13C chemical shift assignments of longifolene 1 and its penultimate precursor 2 through the combined use of ab initio calculations and experimental NMR techniques. The predicted stable conformation for both compounds was similar and adopts a twisted chair conformation at the seven-membered ring where C4 lies on top of the exocyclic double bond. The calculated chemical shifts for the stable conformation agree well with the experimental values.     

Speciation of arsenite and arsenate by electrothermal AAS following ionic liquid dispersive liquid-liquid microextraction

We have developed a new method for the microextraction and speciation of arsenite and arsenate species. It is based on ionic liquid dispersive liquid liquid microextraction and electrothermal atomic absorption spectrometry. Arsenite is chelated with ammonium pyrrolidinedithiocarbamate at pH 2 and then extracted into the fine droplets of 1-butyl-3-methylimidazolium bis(trifluormethylsulfonyl) imide which acts as the extractant. As(V) remains in the aqueous phase and is then reduced to As(III). The concentration of As(V) can be calculated as the difference between total inorganic As and As(III). The pH values, chelating reagent concentration, types and volumes of extraction and dispersive solvent, and centrifugation time were optimized. At an enrichment factor of 255, the limit of detection and the relative standard deviation for six replicate determinations of 1.0 μg?L^?1 As(III) are 13 ng?L^?1 and 4.9 %, respectively. The method was successfully applied to the determination of As(III) and As(V) in spiked samples of natural water, with relative recoveries in the range of 93.3–102.1 % and 94.5–101.1 %, respectively.

Design and synthesis of new 2-substituted-5-[2-(2-halobenzyloxy)phenyl]-1,3,4-oxadiazoles as anticonvulsant agents

A new series of 2-substituted-5-[2-(2-halobenzyloxy)phenyl]-1,3,4-oxadiazoles was designed and synthesized as anticonvulsant agents. Electroshock and pentylenetetrazole-induced lethal convulsion tests showed that the introduction of an amino group at position 2 of 1,3,4-oxadiazole ring and a fluoro substituent at ortho position of benzyloxy moiety had the best anticonvulsant activity. Our results showed that this effect is mediated through benzodiazepine receptors mechanism.     

Hydroelastic analysis of water impact of flexible asymmetric wedge with an oblique speed

Current paper deals with hydroelastic impact of asymmetric and symmetric wedge sections with oblique speed into calm water. It is aimed to provide a better insight regarding fluid–structure interaction of the wedge sections of a high-speed craft into water in more realistic condition, in the presence of heel angle and oblique speeds. The defined problem is numerically investigated by coupled Finite Volume Method and Finite Element Method under two-way approach consideration. Accuracy of the proposed model is assessed in different steps. The results of current method are compared against previous experimental, numerical and theoretical methods and good agreement is displayed in these comparisons. Subsequently, the method is used in order to examine the fluid and structure behavior during the elastic impact of the wedge into water. Accordingly, four different physical situations are simulated. In the first part, symmetric impact with no oblique speed is simulated. The results of this part show fluctuations in vertical force and pressure of the midpoint during the impact time. Also, the relation of deadrise with deflection and pressure is observed in this part. In the second part, heel angle is also taken into consideration. It is concluded that the pressure and deflections at the right side of the wedge reduce, but these parameters increase at the left side. Moreover, it is observed that, the pressure at the midpoint of the left side of the wedge with deadrise angle of 10°, becomes negative, when the wall of the flexible wedge reaches its largest deflection. It is also observed that, the pressure at left side of the wedge with deadrise angle of 20°, reaches zero. Such behavior does not occur for the wedges of 30° and 45° deadrise angles. In the third part of simulations, oblique water entry of a flexible wedge of 20° deadrise angle is simulated, and no heel angle is considered. Harmonic behavior is observed for the vertical force, horizontal force, pressure of the midpoint and its deflection. First peaks of all of these variables are larger than the second peak. The obtained results lead us to conclude that an increase in oblique speed yields larger deflection and pressure at the right side. Meanwhile, no significant effect is observed for the left side of the wedge. Also, larger oblique speed is found to yield larger forces and angular moment. Final part of simulations involves the oblique water entry of a flexible wedge of 5° heel angle. Comparison of the results in the final part with that of third part, show that heel angle affects the pressure and deflection at both sides of the wedge. It is also observed that pressure and deflections of the left side increase, while those of right side increase. It is also seen that, similar as in the case of no heel angle, an increase in oblique speed leads to an increase of pressure and deflection at the starboard. It also leads to an increase in frequency of the vibration at right side.     

Melting and solidification behavior of Cu/Al and Ti/Al bimetallic core/shell nanoparticles during additive manufacturing by molecular dynamics simulation

Molecular dynamics (MD) simulations were performed to investigate the role of core volume fraction and number of fusing nanoparticles (NPs) on the melting and solidification of Cu/Al and Ti/Al bimetallic core/shell NPs during a superfast heating and slow cooling process, roughly mimicking the conditions of selective laser melting (SLM). One recent trend in the SLM process is the rapid prototyping of nanoscopically heterogeneous alloys, wherein the precious core metal maintains its particulate nature in the final manufactured part. With this potential application in focus, the current work reveals the fundamental role of the interface in the two-stage melting of the core/shell alloy NPs. For a two-NP system, the melting zone gets broader as the core volume fraction increases. This effect is more pronounced for the Ti/Al system than the Cu/Al system because of a larger difference between the melting temperatures of the shell and core metals in the former than the latter. In a larger six-NP system (more nanoscopically heterogeneous), the melting and solidification temperatures of the shell Al roughly coincide, irrespective of the heating or cooling rate, implying that in the SLM process, the part manufacturing time can be reduced due to solidification taking place at higher temperatures. The nanostructure evolution during the cooling of six-NP systems is further investigated.

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Effect of a portable ultra-clean exponential airflow unit on the particle distribution in an operating room

The effects of a mobile laminar airflow unit on the concentration,deposition and distribution of bacteriacarrying particles in an operating room are investigated.The exploration is carried out using numerical calculation schemes(computational fluid dynamics approach).The model validation was performed through result comparisons with published measurement data from literature.Two types of mobile screen units were evaluated as an extension of turbulent-mixing operating-room ventilation.Airborne particle concentration/sedimentation was recorded with and without a screen unit on the operating table and two instrument tables.Both active and passive air sampling were examined and the results are compared.It was found that the additional mobile ultra-clean laminar airflow unit reduces the counts of airborne bacteria and surface contamination to a level acceptable for infection-prone surgeries.     

Regioselective alkylation reactions of 2,4-diphenyl-3H-1-benzazepine give either 3-alkyl-3H-1-benzazepines or 1-alkyl-1H-1-benzazepines

2,4-Diphenyl-3H-1-benzazepine is deprotonated with either LDA or KHMDS. The resulting anion is alkylated with alkyl halides or MeOTs, giving either products of alkylation at C3, or at N, or a mixture of both. The regioselectivity depends on the base, presence of the complexing agent HMPA, and the leaving group of the alkylating agent. Using MeI as alkylating agent gives exclusively the C3-methylated product, while using MeOTs gives exclusively the N-methylated product. The N-alkylated products show evidence of stereodynamic behavior in their NMR spectra.     

Double Bonds in Fused Hexacyclic Systems

If a hexacyclic graph, G, represents a benzenoid, a perfect matching corresponds to the location of double bonds (pi-bonds). We present an algorithm for counting the number of configurations of double bonds for various benzenoids.