Solubility analysis of clozapine and lamotrigine in supercritical carbon dioxide using static system

The experimental techniques used to obtain the solubilities of clozapine and lamotrigine in supercritical carbon dioxide include a simple static technique. The solubility measurements were performed at temperatures between 318 and 348 K and pressures between 121.6 and 354.0 bar. These chemicals have solubilities with values ranging from 3.6 × 10⁻⁶ to 4.2 × 10⁻⁵ (clozapine) and 1 × 10⁻⁶ to 6 × 10⁻⁵ (lamotrigine) mole fraction. The solubility data were correlated using four semi-empirical density-based models (Chrastil, Bartle, K-J and M-T models). Correlation of the results shows good self-consistency of the data obtained with the Bartle model for clozapine with an overall average absolute relative deviation (AARD%) of 11.21. The calculated results with each four models show satisfactory agreement with the experimental data for lamotrigine with an overall AARD% 11.72, 8.99, 2.75, 3.86 for Chrastil, K-J, Bartle, M-T models, respectively. Using the correlation results, the heat of drug-CO₂ solvation and that of drug vaporization were approximated.     

Polyoxometalate–molybdenylacetylacetonate hybrid complex: A reusable and efficient catalyst for oxidation of alkenes with tert-butylhydroperoxide

The hybrid complex consist of molybdenylacetylacetonate complex covalently linked to a lacunary Keggin-type polyoxometalate, K₈[SiW₁₁O₃₉] (POM), was synthesized and characterized by elemental analysis, SEM, XRD, diffuse reflectance UV–Vis and FT-IR spectroscopic methods. The hybrid complex, [MoO₂(acac)–POM] (1), was used for alkene epoxidation with tert-BuOOH in 1,2-dichloroethane as solvent. The complex (1) can catalyze epoxidation of various olefins including non-activated terminal olefins. The effect of reaction parameters such as oxidant, solvent, and temperature on the epoxidation of cyclooctene was also investigated. This heterogeneous catalyst was reused several times in the oxidation of cyclooctene.     

AFM characterization of surface mechanical and electrical properties of some common rocks

The characterization of micro-surface mechanical and electrical properties of the natural rock materials remains inadequate, and their macroscopic performance can be better comprehended by investigating the surface properties. With this purpose, the present research focuses on characterizing the micro-surface morphology, Derjaguin-Muller-Toporov (DMT) modulus, adhesion, and potential of granite, shale, and limestone by employing the atomic force microscope (AFM) as a pioneer attempt. The results show that the micro-surface morphology of the rock fluctuates within hundreds of nanometers, among which the granite micro-surface is comparatively the smoothest, followed by limestone. The morphology of the shale is the roughest, indicating that the regional difference of shale micro-surface is dominant. The distribution of the adhesion on rock micro-surface is uneven; the average adhesion of eight measuring areas for shale is 23.93 nN, accounting for three times of granite and limestone, while the surface DMT modulus of shale is relatively lower than granite and limestone. It is inferred from the obtained results that higher surface adhesion is helpful to the gas adsorption of shale, and the lower surface DMT (elastic) modulus is useful to the formation of fractures and pores. Thus, these two are the micromechanical basis of shale gas adsorption. Additionally, introducing a method to reduce the surface adhesion will benefit the exploration of unconventional resources such as shale gas. The micro-surface of the three types of rocks all shows electricity, with average potential ranging from tens of millivolts to hundreds of millivolts. Besides, the micro-surface potential of the rocks are heterogeneous, and both positive and negative points can be found. The existence and uneven distribution of micro-surface potential provide a robust physical basis for the electromagnetic radiation generated by rock fracture under loading. This study offers a new method for revealing the adsorption characteristics of unconventional gas reservoir rocks and the electromagnetic radiation mechanism of the rock fracture.     

4D Printing of Polyvinyl Chloride (PVC): A Detailed Analysis of Microstructure,Programming, and Shape Memory Performance

In this research, polyvinyl chloride (PVC) with excellent shape-memory effects is 4D printed via fused deposition modeling (FDM) technology. An experimental procedure for successful 3D printing of lab-made filament from PVC granules is introduced. Macro- and microstructural features of 3D printed PVC are investigated by means of wide-angle X-ray scattering (WAXS), differential scanning calorimetry (DSC), and dynamic mechanical thermal analysis (DMTA) techniques. A promising shape-memory feature of PVC is hypothesized from the presence of small close imperfect thermodynamically stable crystallites as physical crosslinks, which are further reinforced by mesomorphs and possibly molecular entanglement. A detailed analysis of shape fixity and shape recovery performance of 3D printed PVC is carried out considering three programming scenarios of cold (T_g −45 °C), warm (T_g −15 °C), and hot (T_g +15 °C) and two load holding times of 0 s, and 600 s under three-point bending and compression modes. Extensive insightful discussions are presented, and in conclusion, shape-memory effects are promising,ranging from 83.24% to 100%. Due to the absence of similar results in the specialized literature, this paper is likely to fill a gap in the state-of-the-art shape-memory materials library for 4D printing, and provide pertinent results that are instrumental in the 3D printing of shape-memory PVC-based structures.     

Simultaneous Voltammetric Determination of Synthetic Colorants in Foods Using a Magnetic Core–Shell Fe<Subscript>3</Subscript>O<Subscript>4</Subscript>@SiO<Subscript>2</Subscript>/MWCNTs Nanocomposite Modified Carbon Paste Electrode

This paper reports the production of a novel magnetic nanocomposite based on multi-walled carbon nanotubes (MWCNTs) decorated with magnetic core–shell Fe₃O₄@SiO₂ nanoparticles which were used to fabricate a modified carbon paste electrode (Fe₃O₄@SiO₂/MWCNT-CPE). The Fe₃O₄@SiO₂/MWCNT-CPE was investigated for the simultaneous determination of sunset yellow (SY) and tartrazine (TT) in 0.1 mol/L phosphate buffer solution (pH 6.0) using square wave voltammetry (SWV). The synthesized nanocomposite was characterized by transmission electron microscopy, scanning electron microscopy, energy dispersive spectroscopy and Fourier transform infrared spectroscopy. The proposed electrode exhibits linear ranges of 0.5–100 μmol/L SY and TT with detection limits of 0.05 and 0.04 μmol/L for SY and TT, respectively. The novel proposed voltammetric method was successfully applied in the simultaneous determination of SY and TT in food products, with results similar to those obtained using a HPLC method at 95 % confidence level.

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Graphical Abstract A magnetic nanocomposite based on MWCNTs decorated with core–shell Fe₃O₄@SiO₂ was prepared and showed good ability to distinguish the response of SY and TT

     

Finite element analysis of deformation and fracture of an exploded gas cylinder

This paper presents the finite element simulations of deformation and fracture of a gas cylinder which catastrophically failed as a result of an accidental explosion. The results of a previous detailed investigation of this incident indicated that detonation of a low-pressure oxygen-rich mixture of hydrogen and oxygen was the cause of the cylinder failure. In the current study, the finite element method was used to provide a more realistic modeling of geometry, material behavior, and boundary conditions of the cylinder. The overall transient dynamic response of the cylinder to gaseous detonation loading was studied using the ANSYS/LS-DYNA V10 package and the crack growth simulations were performed using the WARP3D-R15 research code. The crack growth analyses were performed using interface cohesive elements. The finite element results were validated using analytical solutions and data collected from the remains of the cylinder. The simulations clearly showed that the stresses caused by the assumed loading profile were indeed capable of creating local ruptures at the actual crack initiation sites. It was also shown that the self-similar growth of the initial axial crack in the main body of the cylinder was a fatigue-type incremental growth governed by the structural waves. The subsequent cyclic bulging of the crack flaps and the resultant crack curving and branching were also simulated.     

Effect of Loading History on Stress Corrosion Cracking of 7075-T651 Aluminum Alloy in Saline Aqueous Environment

An experimental study of stress corrosion cracking (SCC) was conducted on 7075-T651 aluminum alloy in a chromate-inhibited, acidic 3.5 pct sodium chloride aqueous solution using compact tension specimens with a thickness of 3.8 mm under permanent immersion conditions. The effects of loading magnitude, overload, underload, and two-step high-low sequence loading on incubation time and crack growth behavior were investigated. The results show that the SCC process consists of three stages: incubation, transient crack growth, and stable crack growth. The incubation time is highly dependent on the load level. Tensile overload or compressive underload applied prior to SCC significantly altered the initiation time of corrosion cracking. Transition from a high to a low loading magnitude resulted in a second incubation but much shorter or disappearing transient stage. The stable crack growth rate is independent of stress intensity factor in the range of 10 to 22 MPa ?{\textm} . \sqrt {\text{m}} .     

Flow over trapezoidal side weir

In this paper, the hydraulic characteristics of a sharp crested trapezoidal side weir have been experimentally and theoretically investigated. It was found that the DeMarchi coefficient of discharge for a sharp crested trapezoidal side weir in subcritical flow is related to the main channel Froude number, the side slope of weir, ratio of weir height to upstream depth of flow and ratio of weir length to upstream depth of flow. Suitable equations for the discharge coefficient are also obtained.     

Microstructure, property and processing relation in gradient porous cathode of solid oxide fuel cells using statistical continuum mechanics

This paper investigates the relation between microstructure, macroscopic transport properties, and fabrication processing for a gradient porous cathode of solid oxide fuel cells (SOFCs). Functionally graded porous cathode with smooth variations in pore size is composed of lanthanum strontium manganite (LSM) fabricated on yttria stabilized zirconia (YSZ) electrolyte substrate using a multi-step spray pyrolysis (SP) technique at various deposition conditions. Two-dimensional (2D) serial-sections of the gradient porous microstructure obtained by FIB-SEM are fully characterized using statistical correlation functions. Results of statistical analysis of the microstructures revealed that the SP processing technique is capable of generating statistically identical and homogeneous microstructures with smooth gradient in pore size resulting from changing the processing parameters. Strong contrast statistical approach is also used to predict the in-plane temperature dependent effective electrical conductivity of the gradient porous cathode and the results are compared to the experimental data.