Thermo-physical properties of naphthenic-palm oil methyl ester (POME) blended transformer oil

Journal of Thermal Analysis and Calorimetry - This study aims to investigate the thermal conductivity, viscosity and thermal degradation of naphthenic-based mineral oil, palm oil methyl ester...     

Silver nanoclusters doped in zeolite to decontaminate water resources from the quinalphos pesticide

Ag (I) nanoclusters doped in mordenite zeolite were prepared and spectroscopically analyzed. Strong luminescence emission that is dependent on the excitation wavelength was observed. These variations in the emission modes are due to the site selective luminescence where various luminophores might be excited upon selecting the proper excitation wavelength. The selected material was found to have strong affinity to remove the quinalphos pesticide, which is widely used for the protection of several vegetable and fruit crops, from water bodies. HPLC and GC–MS techniques were used to follow the kinetic data and to identify the photodecomposition products, respectively. The photodecomposition of quinalphos in the presence of the silver doped mordenite catalyst gives different products compared to the irradiation of quinalphos without catalyst. The presence of the Ag-mordenite catalyst not only adsorbs the quinalphos from the solution but it also reduces its toxic effect as tested on the fruit fly (Drosophila melanogaster).     

Analytical and semi-analytical solutions to flows of two immiscible Maxwell fluids between moving plates

Unsteady flows of two immiscible Maxwell fluids in a rectangular channel bounded by two moving parallel plates are studied. The fluid motion is generated by a time-dependent pressure gradient and by the translational motions of the channel walls in their planes. Analytical solutions for velocity and shear stress fields have been obtained by using the Laplace transform coupled with the finite sine-Fourier transform. These analytical solutions are new in the literature and the method developed in this paper can be generalized to unsteady flows of n-layers of immiscible fluids. By using the Laplace transform and classical method for ordinary differential equations, the second form of the Laplace transforms of velocity and shear stress are determined. For the numerical Laplace inversion, two accuracy numerical algorithms, namely the Talbot algorithm and the improved Talbot algorithm are used.     

Curvature effect on droplet impacting onto hydrophobic and superhydrophobic spheres

Droplet impact on hydrophobic and superhydrophobic solid surfaces finds numerous applications, while the wide range of the parameters affecting its outcome necessitate a thorough study to reveal the underlying physics. Specific applications are related to the drop impact upon curved surfaces, such as micro-encapsulation in fluidized beds. Three-dimensional numerical simulations by applying Level-Set Method have been performed to investigate the water droplet impact on curved and flat hydrophobic and superhydrophobic substrates. Parameters such as the impact Weber number, the surface curvature and the equilibrium contact angle have been varied in order to assess their effects on the dynamics of the impact process. After providing a strong validation, it is found that impact on spherical surfaces generally presents a higher area of liquid to be in contact with the substrate with respect to the case of flat surfaces, when all other impact conditions are the same.     

Magnetic resonance imaging of mouse Ehrlich carcinoma growth inhibition by thiacarpine, an analogue of cytotoxic marine alkaloid polycarpine

The anticancer effect of thiacarpine, a synthetic analogue of the known cytotoxic alkaloid polycarpine isolated from the Pacific ascidian Polycarpa aurata, was investigated in vivo in experiments using mouse solid Ehrlich carcinoma tumor as the target. A high-resolution magnetic resonance imaging (MRI) technique using a MR tomograph "PharmaScan" US70/16 (Bruker, Ettlingen, Germany) was used for visualization and quantification of tumor size. Fluorescence microscopy and image analysis were applied to determine Ehrlich carcinoma cell chromatin condensing (apoptosis) and necrosis in Ehrlich carcinoma cells at the action of thiacarpine in in vitro experiments. The scan and size calculations of the tumor and some mouse organs were carried out during the experiments. Thiacarpine in a total dose of 100 mg/kg was found to exhibit the delay in growth of the mouse tumor. The antineoplastic effect of this compound was accompanied by an increase in the lifetime of experimental mice in comparison with the control group of animals. Our data show that the ability of thiacarpine to induce apoptosis in carcinoma cells may contribute to thiacarpine anticancer effects against mice solid Ehrlich carcinoma in vivo detected by MRI.     

Pairwise additivity of energy components in protein-ligand binding: the HIV II protease-Indinavir case

An energy expansion (binding energy decomposition into n-body interaction terms for n ≥ 2) to express the receptor-ligand binding energy for the fragmented HIV II protease-Indinavir system is described to address the role of cooperativity in ligand binding. The outcome of this energy expansion is compared to the total receptor-ligand binding energy at the Hartree-Fock, density functional theory, and semiempirical levels of theory. We find that the sum of the pairwise interaction energies approximates the total binding energy to ～82% for HF and to >95% for both the M06-L density functional and PM6-DH2 semiempirical method. The contribution of the three-body interactions amounts to 18.7%, 3.8%, and 1.4% for HF, M06-L, and PM6-DH2, respectively. We find that the expansion can be safely truncated after n=3. That is, the contribution of the interactions involving more than three parties to the total binding energy of Indinavir to the HIV II protease receptor is negligible. Overall, we find that the two-body terms represent a good approximation to the total binding energy of the system, which points to pairwise additivity in the present case. This basic principle of pairwise additivity is utilized in fragment-based drug design approaches and our results support its continued use. The present results can also aid in the validation of non-bonded terms contained within common force fields and in the correction of systematic errors in physics-based score functions.     

Water-soluble porphyrin detection in a pure-silica photonic crystal fiber

Aqueous solutions of the water-soluble porphyrin 5,10,15,20-tetrakis(4-sulfonatophenyl)porphyrinatomanganese(III) acetate were inserted into the holes of a photonic crystal fiber, and the porphyrin absorption bands were identified. Results were obtained for three concentrations. The porphyrins in water show no surface interactions with the silica walls of the capillary channels. We discuss the implications for future hybrid electronic and photonic fiber devices.     

A theory for grain boundaries with strain-gradient plasticity

In this work, the effect of the material microstructural interface between two materials (i.e., grain boundary in polycrystalls) is adopted into a thermodynamic-based higher order strain gradient plasticity framework. The developed grain boundary flow rule accounts for the energy storage at the grain boundary due to the dislocation pile up as well as energy dissipation caused by the dislocation transfer through the grain boundary. The theory is developed based on the decomposition of the thermodynamic conjugate forces into energetic and dissipative counterparts which provides the constitutive equations to have both energetic and dissipative gradient length scales for the grain and grain boundary. The numerical solution for the proposed framework is also presented here within the finite element context. The material parameters of the gradient framework are also calibrated using an extensive set of micro-scale experimental measurements of thin metal films over a wide range of size and temperature of the samples.     

Collective-Coordinate Analysis of Inhomogeneous Nonlinear Klein–Gordon Field Theory

Two different sets of collective-coordinate equations for solitary solutions of nonlinear Klein–Gordon (NKG) model are introduced. The collective-coordinate equations are derived using different approaches for adding the inhomogeneities as external potentials to the soliton equation of motion. The interaction of the NKG field with a local inhomogeneity like a delta function potential wall or a delta-function potential well is investigated using the presented collective-coordinate equations, and the results of the two different models are compared. Most of the characters of the interaction are derived analytically. The analytical results are also compared to the results of numerical simulations.