N–H···π Interactions in Two Isomers of an Amino Group Containing <Emphasis Type="Italic">bis</Emphasis>-Phenol

Abstract  

Crystal structures of two bis-phenols namely bis-(3,5-dimethyl-2-hydroxyphenyl)(3-amino phenyl)methane 1 and bis-(3,5-dimethyl-4-hydroxyphenyl)(3-aminophenyl) methane 2 are determined. The compound 1 crystallises in monoclinic P2₁/c with a = 12.2579(16) ?, b = 16.0906(19) ?, c = 10.6664(13) ?, β = 115.417(7)°, V = 1900.2(4) ?³ whereas 2 crystallizes in monoclinic C2/c, a = 9.2538(2) ?, b = 18.6579(4) ?, c = 23.2725(5) ?, β = 98.796(2)°, V = 3970.89(15) ?³. The crystal lattice of both the compounds shows presence of N–H···π interactions but no O–H···π interactions.     

Interaction of dislocations with nanoprecipitates of the metastable phase and dispersion strengthening of the Fe-Cu alloy

The interaction of dislocations with copper-enriched precipitates in the matrix of body-centered cubic iron has been investigated by the molecular dynamics method. It has been shown that dislocations stimulate the development of a phase instability of body-centered cubic copper precipitates in a specific range of their sizes. This process is accompanied by the pinning of dislocations by precipitates and makes a significant contribution to strengthening. The results obtained provide an adequate explanation for the observed dependence of the strengthening in the Fe-Cu system on the precipitate size.     

Generation and characterization of stable, highly concentrated titanium dioxide nanoparticle aerosols for rodent inhalation studies

The intensive use of nano-sized titanium dioxide (TiO₂) particles in many different applications necessitates studies on their risk assessment as there are still open questions on their safe handling and utilization. For reliable risk assessment, the interaction of TiO₂ nanoparticles (NP) with biological systems ideally needs to be investigated using physico-chemically uniform and well-characterized NP. In this article, we describe the reproducible production of TiO₂ NP aerosols using spark ignition technology. Because currently no data are available on inhaled NP in the 10?C50 nm diameter range, the emphasis was to generate NP as small as 20 nm for inhalation studies in rodents. For anticipated in vivo dosimetry analyses, TiO₂ NP were radiolabeled with ⁴⁸V by proton irradiation of the titanium electrodes of the spark generator. The dissolution rate of the ⁴⁸V label was about 1% within the first day. The highly concentrated, polydisperse TiO₂ NP aerosol (3?C6 × 10⁶ cm^?3) proved to be constant over several hours in terms of its count median mobility diameter, its geometric standard deviation, and number concentration. Extensive characterization of NP chemical composition, physical structure, morphology, and specific surface area was performed. The originally generated amorphous TiO₂ NP were converted into crystalline anatase TiO₂ NP by thermal annealing at 950 °C. Both crystalline and amorphous 20-nm TiO₂ NP were chain agglomerated/aggregated, consisting of primary particles in the range of 5 nm. Disintegration of the deposited TiO₂ NP in lung tissue was not detectable within 24 h.     

A transportation problem with fuzzy-stochastic cost

In this paper, we consider some transportation problems (TPs) with different types of fuzzy-stochastic unit transportation costs and budget constraints. These fuzzy stochastic costs are reduced to corresponding crisp ones in two different ways. For the first method, using the definition of α$\alpha$-cut of the fuzzy numbers, expectation is taken separately on both lower and upper α$\alpha$-cuts and then mean expectation is calculated with the help of signed distance. In the second procedure, we realize fuzzy random events (ξ?r)$(\xi ?r)$ and (ξ?r)$(\xi ?r)$ for the fuzzy random variable (ξ)$(\xi )$. Using credibility measure of these events, mean chances for the above fuzzy random events are calculated and then expectation is taken to get the crisp expressions. The reduced deterministic problems of the fuzzy stochastic TP are solved using a real coded genetic algorithm with Roulette wheel selection, arithmetic crossover and random mutation. Few numerical examples are demonstrated to find the optimal solutions of the proposed models.     

Structural and electrical studies of Ba5RTi3V7O30 (R=Ho,Gd, La) compounds

The ferroelectric ceramics Ba₅RTi₃V₇O₃₀ (R=Ho, Gd, La) have been synthesized by solid-state reaction technique. Preliminary X-ray structural analysis confirmed a single-phase formation of the compound in orthorhombic structure. Surface morphology of the compounds was studied by scanning electron microscopy (SEM). Detailed studies of electrical properties (i.e., dielectric constant, loss tangent, ac conductivity) as a function of temperature (RT-773 K) and at four different frequencies (1 kHz, 10 kHz, 100 kHz and 1 MHz) show ferroelectric–paraelectric phase transition of the compounds of diffuse-type. The activation energy has been evaluated from ac conductivity following Arrhenius equation. The conductivity pattern shows that it is strongly frequency dependent and obeys Jonscher's power relation.     

Global dynamics and bifurcation in delayed SIR epidemic model

An SIR epidemic model with time delay, information variable and saturated incidence rate, where the susceptibles are assumed to satisfy the logistic equation and the incidence term, is of saturated form with the susceptibles. This model exhibits two bifurcations, one is transcritical bifurcation and the other is Hopf bifurcation. The local and global stability of endemic equilibrium is also discussed. Finally, numerical simulations are carried out to explain the mathematical conclusions.