Understanding the micro structure of Berea Sandstone by the simultaneous use of micro-computed tomography (micro-CT) and focused ion beam-scanning electron microscopy (FIB-SEM)

Berea sandstone is the building block for reservoirs containing precious hydrocarbon fuel. In this study, we comprehensively reveal the microstructure of Berea sandstone, which is often treated as a porous material with interconnected micro-pores of 2-5 μm. This has been possible due to the combined application of micro-computed tomography (CT) and focused ion beam (FIB)-scanning electron microscopy (SEM) on a Berea sample. While the use of micro-CT images are common for geological materials, the clubbing and comparison of tomography on Berea with state-of-the-art microstructure imaging techniques like FIB-SEM reveals some unforeseen features of Berea microstructure. In particular, for the first time FIB-SEM has been used to understand the micro-structure of reservoir rock material like Berea sandstone. By using these characterization tools, we are able to show that the micro-pores (less than 30 μm) are absent below the solid material matrix, and that it has small interconnected pores (30-40 μm) and large crater-like voids (100-250 μm) throughout the bulk material. Three-dimensional pore space reconstructions have been prepared from the CT images. Accordingly, characterization of Berea sandstone specimen is performed by calculation of pore-structure volumes and determination of porosity values.     

Benzannulation for the regiodefined synthesis of 2-alkyl/aryl-1-naphthols: total synthesis of arnottin I

The annulation of phthalides with α-alkyl/arylacrylates in the presence of LDA/LHMDS is shown to directly give alkyl/aryl-1-naphthols. The method involving a novel dealkoxycarbonylation obviates the regiochemical issues in the synthesis of polysubstituted naphthalenes, and it forms the key step in a three-step total synthesis of arnottin I, a naphthobenzopyranone natural product.     

Extension of the exp-6 model to the simulation of vapor-liquid equilibria of primary alcohols and their mixtures

Configurational-biased Gibbs ensemble Monte Carlo simulations were performed to obtain the phase behavior of the homologous series of primary alcohols from ethanol to 1-heptanol. Molecular interactions in these systems are modeled by a newly developed exp-6 potential in combination with a Coulombic intermolecular potential. Some of exp-6 potential parameters required to describe these alcohols were taken from the previous literature data reported for methanol and n-alkanes. The oxygen's potential parameters were optimized to fit the coexistence curve of these alcohols to the experimental data. Simulated values of saturated liquid and vapor densities, vapor pressures and critical constants of the alcohols are in good agreement with experimental data. The efficiency of the new model in the prediction of binary phase diagram of water/ethanol and n-hexane/1-propanol mixtures is also evaluated. The calculated mole fractions in the vapor and liquid phases of these binary mixtures also show satisfactory agreement with the experimental data.     

Molecular dynamics directed CoMFA studies on carbocyclic neuraminidase inhibitors

Zanamivir is the known potent anti-influenza agent targeting the key enzyme neuraminidase that cleaves sialic acid from cell receptors allowing release of newly formed virions. Molecular dynamics simulation was carried out to determine the dynamic behavior of Zanamivir upon its binding to flexible loops of neuraminidase and to analyse its interactions in the bioactive state. Neuraminidase exhibits wide range of affinity with structurally similar compounds. CoMFA study was used to determine quantitative structure-activity relationship for 36 carbocyclic Neuraminidase inhibitors (NIs). The CoMFA model was also successfully built using cross-validated r²_cv = 0.580{{r}^{2}_{\rm cv} =0.580} and r²_pred=0.638{{r}^{2}_{\rm pred}=0.638} .     

Redistribution of cations and enhancement in magnetic properties of sol–gel synthesized Cu0.7?xCoxZn0.3Fe2O4 (0?≤?x?≤?0.5)

Cu_{0.7− x} Co _x Zn_0.3Fe₂O₄ (0 ≤ x ≤ 0.5) nanoparticles are prepared by sol–gel auto combustion method, using copper nitrate, zinc nitrate, ferric nitrate, cobalt nitrate, and citric acid as the starting materials. The process takes only a few minutes to obtain as-received Co-substituted Cu–Zn ferrite powders. X-ray diffraction (XRD), vibrational sample magnetometer and thermo gravimetric analysis are utilized in order to study the effect of variation in the Co substitution and its impact on particle size, lattice constant, density, cation distribution and magnetic properties like magnetization, coercivity, remanent magnetization, ferritization temperature and associated water content. Lattice parameter found to increase with increasing Co content, whereas X-ray density, bulk density, particle size showed decreasing trend with the Co content. Cation distribution indicates that the Co and Cu ion show preference towards octahedral [B] site, Zn occupy tetrahedral (A) site whereas Fe occupy both tetrahedral (A) and octahedral [B] site. Redistribution of cations takes place for x > 0.3. Saturation magnetization (Ms) increases from 52.99 to 79.62 emu/g (x ≤ 0.3), for x > 0.3 Ms decreases with increase in Co content x. However, coercivity, magnetocrystalline anisotropy and remanent magnetization increases with the Co²⁺ substitution.     

Correlative high-resolution MR-anatomic study of sciatic, ulnar, and proper palmar digital nerve

Aim of this study was o evaluate the effectiveness of high-resolution MR imaging in demonstrating the anatomic structure of peripheral nerves of different diameter and composition. The dissected sciatic, ulnar, and proper palmar digital nerve of fresh cadavers were imaged at pre-selected landmarks on a 3T MR scanner. The nerves were then embedded in formalin, sliced, stained, and microscopically analyzed. The size, shape, and signal intensity of the sheath and axonal structures in the nerves at the landmarks were identified in MR images by comparison with histologic sections. The fascicles were clearly distinguished and counted in all specimens with MR imaging and showed only small differences from the histologic evaluation. High resolution MR imaging has the potential to visualize the fascicular structure in nerves of all sizes, which may be helpful in the preoperative assessment.     

Cyclopropanation of diazoesters with styrene derivatives catalyzed by magnetically recoverable copper-plated iron nanoparticles

Simple bare copper-plated iron nanoparticles catalyzed the cyclopropanation of diazoesters with styrene derivatives. The reaction proceeded smoothly and provided the desired products in moderate to good yields, with selectivity for the trans isomer in neat conditions. The reaction scope was explored and di or tri-substituted cyclopropanes were synthesized. The catalysts could be magnetically separated and reusable up to five times. It was also characterized by TEM, XPS, and ICP-MS. A gram-scale reaction was performed with a yield of 72%.     

Semiclassical strings in supergravity PFT

In this paper, we introduce the bulk viscosity in the formalism of modified gravity theory in which the gravitational action contains a general function \(f(R,T)\) , where \(R\) and \(T\) denote the curvature scalar and the trace of the energy–momentum tensor, respectively, within the framework of a flat Friedmann–Robertson–Walker model. As an equation of state for a prefect fluid, we take \(p=(\gamma -1)\rho \) , where \(0 \le \gamma \le 2\) and a viscous term as a bulk viscosity due to the isotropic model, of the form \(\zeta =\zeta _{0}+\zeta _{1}H\) , where \(\zeta _{0}\) and \(\zeta _{1}\) are constants, and \(H\) is the Hubble parameter. The exact non-singular solutions to the corresponding field equations are obtained with non-viscous and viscous fluids, respectively, by assuming a simplest particular model of the form of \(f(R,T) = R+2f(T)\) , where \(f(T)=\alpha T\) ( \(\alpha \) is a constant). A big-rip singularity is also observed for \(\gamma <0\) at a finite value of cosmic time under certain constraints. We study all possible scenarios with the possible positive and negative ranges of \(\alpha \) to analyze the expansion history of the universe. It is observed that the universe accelerates or exhibits a transition from a decelerated phase to an accelerated phase under certain constraints of \(\zeta _0\) and \(\zeta _1\) . We compare the viscous models with the non-viscous one through the graph plotted between the scale factor and cosmic time and find that the bulk viscosity plays a major role in the expansion of the universe. A similar graph is plotted for the deceleration parameter with non-viscous and viscous fluids and we find a transition from decelerated to accelerated phase with some form of bulk viscosity.     

Thermogravimetric, differential scanning calorimetric and experimental thermal transport study of MWCNT/NBR nanocomposites

Pristine multiwalled carbon nanotubes (MWCNTs) were impregnated in acrylonitrile butadiene rubber (NBR) using internal dispersion kneader and two roller mixing mill to investigate the effects of various nanotubes concentrations on the thermal transport/stability of rubber nanocomposites. Thermal conductivity (λ _N) and thermal impedance (R) measurement experimental setups were established according to ASTM E1225-99 and D5470-03. The 1 mass % addition of MWCNTs in the polymer matrix has enhanced R up to 44 % and reduced λ _N of the rubber nanocomposite up to 40 % compare to the base composite formulation. Thermal decomposition and differential thermal analyses of the fabricated composite specimens simulate that the thermal stability and endothermic capability are augmented with increasing the nanotubes contents in the host matrix. The progressive incorporations of carbon nanotubes into the rubber matrix have efficiently influenced the composite specimens regarding glass transition, crystallization, and melting temperatures including their specific enthalpies. Scanning electron microscopy along with the energy dispersive spectroscopy was used to analyze MWCNTs dispersion in NBR matrix, compositional analysis of the nanocomposite, and impregnated nanotubes.     

SYNTHESIS OF [1,3,4]THIADIAZOLO[2,3-C][1,2,4]TRIAZIN-4-ONES USING SULFURIC ACID SUPPORTED ONTO SILICA GEL IN SOLVENTLESS SYSTEM

[1,3,4]Thiadiazolo[2,3-c][1,2,4]triazin-4-ones were prepared by one pot condensation and cyclization of 4-amino-[1,2,4]triazine-3-thione-5-ones with various aromatic carboxylic acids in the presence of silica gel sulfuric acid in solventless condition.