FORCED CONVECTIVE MASS TRANSFER IN ANNULI

Mass transfer in annuli has been critically examined for various flow situations. The overall mass transfer rate depends on the hydrodynamic regions prevailing in the annular channel as well as on its dimensions. Theoretically consistent correlations are proposed and recommended for both developed and developing boundary layers under laminar and turbulent flow conditions.     

Exploration of a Library of 3,4‐(Methylenedioxy)aniline‐Derived Semicarbazones as Dual Inhibitors of Monoamine Oxidase and Acetylcholinesterase: Design,Synthesis, and Evaluation

A library of 3,4‐(methylenedioxy)aniline‐derived semicarbazones was designed, synthesized, and evaluated as monoamine oxidase (MAO) and acetylcholinesterase (AChE) inhibitors for the treatment of neurodegenerative diseases. Most of the new compounds selectively inhibited MAO‐B and AChE, with IC₅₀ values in the micro‐ or nanomolar ranges. Compound 16 , 1‐(2,6‐dichlorobenzylidene)‐4‐(benzo[1,3]dioxol‐5‐yl)semicarbazide presented a balanced multifunctional profile of MAO‐A (IC₅₀=4.52±0.032 μm ), MAO‐B (IC₅₀=0.059±0.002 μm ), and AChE (IC₅₀=0.0087±0.0002 μm ) inhibition without neurotoxicity. Kinetic studies revealed that compound 16 exhibits competitive and reversible inhibition against MAO‐A and MAO‐B, and mixed‐type inhibition against AChE. Molecular docking studies further revealed insight into the possible interactions within the enzyme–inhibitor complexes. The most active compounds were found to interact with the enzymes through hydrogen bonding and hydrophobic interactions. Additionally, in silico molecular properties and ADME properties of the synthesized compounds were calculated to explore their drug‐like characteristics.     

Development and Validation of an Artificial Mechanical Skin Model for the Study of Interactions between Skin and Microneedles

Microneedles are small needle‐like structures that are almost invisible to the naked eye. They have an immense potential to serve as a valuable tool in many medical applications, such as painless vaccination. Microneedles work by breaking through the stratum corneum, the outermost barrier layer of the skin, and providing a direct path for drug delivery into the skin. A lot of research has been presented over the past two decades on the applications of microneedles, yet the fundamental mechanism of how they interact, pressure, and penetrate the skin in its native state is worth examining further. As such, a major difficulty with understanding the mechanism of microneedle–skin interaction is the lack of an artificial mechanical human skin model to use as a standardized substrate. In this research news, the development of an artificial mechanical skin model based on a thorough mechanical study of fresh human and porcine skin samples is presented. The artificial mechanical skin model can be used to study the mechanical interactions between microneedles and skin, but not diffusion of molecules across skin. This model can assist in improving the performance of microneedles by enhancing the reproducibility of microneedle depth insertions for optimal drug delivery and biosensing.

     

Enhanced calcium–magnesium–aluminosilicate (CMAS) resistance of GdAlO3 (GAP) for composite thermal barrier coatings

The impact of calcium–magnesium–alumino-silicate (CMAS) degradation is a critical factor for development of new thermal and environmental barrier coatings. Several methods of preventing damage have been explored in the literature, with formation of an infiltration inhibiting reaction layer generally given the most attention. Gd₂Zr₂O₇ (GZO) exemplifies this reaction with the rapid precipitation of apatite when in contact with CMAS. The present study compares the CMAS behavior of GZO to an alternative thermal barrier coating (TBC) material, GdAlO₃ (GAP), which possesses high temperature phase stability through its melting point as well as a significantly higher toughness compared with GZO. The UCSB laboratory CMAS (35CaO–10MgO–7Al₂O₃–48SiO₂) was utilized to explore equilibrium behavior with 50:50 mol% TBC:CMAS ratios at 1200, 1300, and 1400°C for various times. In addition, 8 and 35 mg/cm² CMAS surface exposures were performed at 1425°C on dense pellets of each material to evaluate the infiltration and reaction in a more dynamic test. In the equilibrium tests, it was found that GAP appears to dissolve slower than GZO while producing an equivalent or higher amount of pore blocking apatite. In addition, GAP induces the intrinsic crystallization of the CMAS into a gehlenite phase, due in part to the participation of the Al₂O₃ from GAP. In surface exposures, GAP experienced a substantially thinner reaction zone compared with GZO after 10 h (87 ± 10 vs. 138 ± 4 μm) and a lack of strong sensitivity to CMAS loading when tested at 35 mg/cm² after 10 h (85 ± 13 versus 246 ± 10 μm). The smaller reaction zone, loading agnostic behavior, and intrinsic crystallization of the glass suggest this material warrants further evaluation as a potential CMAS barrier and inclusion into composite TBCs.     

Silver monoliths and their applications in catalytic reduction of 4-NP to 4-AP and sensing against As3+

Journal of Porous Materials - Silver monoliths using non-ionic surfactant Triton X-102 as reducing agent with and without additives such as Dextran and Ludox (SiNPs) were synthesized by modified...     

Kinetics of esterification of cycloaliphatic epoxies with methacrylic acid

The esterification of cycloaliphatic epoxy resins CER I and CER II containing glycidyl and cyclohexane epoxy groups, respectively, as their reactive units was carried out using a 1 : 0.9 stoichiometric ratio of resin and methacrylic acid in the presence of triphenylphosphine. The reaction was performed at 80, 85, 90, 95, and 100°C and it followed second‐order kinetics. The specific rate constants, calculated by regression analysis, were found to obey an Arrhenius expression. Kinetic and thermodynamic parameters, activation energy, frequency factor, entropy, enthalpy, and free energy of the reaction, revealed that the reaction was spontaneous and irreversible and produced a highly ordered activated complex. The reactivity of CER II was found to be higher than that of CER I. The difference in the reactivity of the cycloaliphatic epoxies was explained by proposing a reaction mechanism. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 86: 3197–3204, 2002     

Development,In Vitro and In Vivo Evaluation of pH Responsive β-CD-Comethacrylic Acid-Crosslinked Polymeric Microparticulate System for Solubility Enhancement of Rosuvastatin Calcium

Current research work was conducted for enhancing solubility of rosuvastatin calcium. A highly stable, biocompatible, and nontoxic β-cyclodextrin-g-poly(methacrylic acid) graft polymeric network was developed. Formulations proved entrapment efficacy (%) in between 82.30?±?0.25 and 89.00?±?0.25 and gel fraction between 90.34?±?1.012 and 95.25?±?1.331. Formulation HM2 had shown optimum swelling and drug release, i.e., 85.74% at pH 6.8. The best-fit model was first-order kinetics with anomalous diffusion as release mechanism. Likewise, solubility enhancement, i.e., 9.59-folds was determined at pH 6.8. It was concluded that hydrogel microparticles are the promising tools for improving solubility and bioavailability of hydrophobic drugs.     

Finite element method based machining simulation environment for analyzing part errors induced during milling of thin-walled components

The rigid body motion of the workpieces and their elastic–plastic deformations induced during high speed milling of thin-walled parts are the main root causes of part geometrical and dimensional variabilities; these are governed mainly from the choice of process plan parameters such as fixture layout design, operation sequence, selected tool path strategies and the values of cutting variables. Therefore, it becomes necessary to judge the validity of a given process plan before going into actual machining. This paper presents an overview of a comprehensive finite element method (FEM) based milling process plan verification model and associated tools, which by considering the effects of fixturing, operation sequence, tool path and cutting parameters simulates the milling process in a transient 3D virtual environment and predicts the part thin wall deflections and elastic–plastic deformations during machining. The advantages of the proposed model over previous works are: (i) Performs a computationally efficient transient thermo-mechanical coupled field milling simulation of complex prismatic parts comprising any combination of machining features like steps, slots, pockets, nested features, etc., using a feature based milling simulation approach; (ii) Predicts the workpiece non-linear behavior during machining due to its changing geometry, inelastic material properties and fixture–workpiece flexible contacts; (iii) Allows the modelling of the effects of initial residual stresses (residing inside the raw stock) on part deformations; (iv) Incorporates an integrated analytical machining load (cutting force components and average shear plane temperature) model; and (v) Provides a seamless interface to import an automatic programming tool file (APT file) generated by CAM packages like CATIA V5. The prediction accuracy of the model was validated experimentally and the obtained numerical and experimental results were found in good agreement.     

Isolation of directed evolution mutants of chloroperoxidase resistant to suicide inactivation by primary olefins

Wild-type chloroperoxidase catalyzes the efficient chiral epoxidation of secondary olefins but is rapidly inactivated in a mechanism-based suicide reaction when incubated with hydrogen peroxide and primary olefins. Directed evolution mutants of chloroperoxidase have now been isolated that are resistant to suicidal inactivation. Plasmid vectors containing error-prone copies of the chloroperoxidase gene and a hygromycin B resistance marker gene have been used to transform Caldariomyces fumago spheroplasts and produce mutant libraries. The mutant library clones were screened for their ability to resist mechanism-based inactivation by allylbenzene. Four generations of PCR-based random mutagenesis and screening yielded mutants that were completely resistant to the suicide-inactivation reaction. Rather surprisingly, the fourth generation mutant developed enhanced epoxidation activity in addition to resistance to allylbenzene inactivation. These initial results suggest that the directed evolution technique can be used to produce chloroperoxidase variants that can further exploit the potential of chloroperoxidase for the synthesis of chiral intermediates.     

Studies on the effect of epoxide equivalent weight of epoxy resins on thermal,mechanical, and chemical characteristics of vinyl ester resins

Three samples of vinyl ester resins (VERs) were synthesized using bisphenol‐A‐based epoxy resins of varying epoxide equivalent weights (EEW) and acrylic acid in presence of triphenylphosphine as a catalyst at 80 ± 2°C. The cresyl glycidyl ether was used as reactive diluent during the synthesis of VERs. A suitable reaction mechanism was proposed and discussed for the reactions involving epoxide group and acid groups. This was further confirmed by infrared spectroscopic analysis. The maximum peak temperature from DSC were at 106.05°C, 114.20°C, and 128.86°C for benzoyl peroxide initiated VERs viz. samples V₁C_V, V₂C_V, and V₃C_V, respectively, increased with the increase of EEW of the parent epoxy resin. It has also been found that the films of VER having highest EEW of bisphenol‐A epoxy resin showed best chemical resistance amongst all other VERs in this study. The mechanical properties such as hardness and flexibility also showed a similar trend. The thermal stability was found to decrease with the increase of EEW of bisphenol‐A epoxy resin in the VERs. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010