CuO Nanoparticles as Nanocarriers and Its Antibacterial Efficacy.

In this study, CuO nanoparticles were synthesized using the sol-gel technique and subsequently functionalized with extracts from plants of the Rauvolfioideae subfamily and citrus fruits. Comprehensive characterization techniques, including UV-Vis spectroscopy, FT-IR, XRD, BET, SEM, and TEM, were employed to evaluate the structural and surface properties of the synthesized nanoparticles. The results demonstrated that both functionalized CuO nanoparticles exhibit mesoporous structures, as confirmed by nitrogen adsorption-desorption isotherms and the pore size distribution analysis.

Fractal Analysis of a Non-Newtonian Fluid Flow in a Rough-Walled Pipe.

The fully developed laminar flow of a viscous non-Newtonian fluid in a rough-walled pipe is considered. The fluid rheology is described by the power-law model (covering shear thinning, Newtonian, and shear thickening fluids). The rough surface of the pipe is considered to be fractal, and the surface roughness is measured using surface fractal dimensions.

Influence of Higher Order Viscous and Thermal Effects on an Ultrasonic Wave Reflected from the First Interface of a Porous Material.

Ultrasound propagation in porous materials involves some higher order physical parameters whose importance depends on the acoustic characteristics of the materials. This article concerns the study of the influence of two parameters recently introduced, namely, the viscous and thermal surfaces, on the acoustic wave reflected by the first interface of a porous material with a rigid structure. These two parameters describe the fluid/structure interactions in a porous medium during the propagation of the acoustic wave in the high-frequency regime.

The supramolecularly complexes of calix[4]arene derivatives toward favipiravir antiviral drug (used to treatment of COVID-19): a DFT study on the geometry optimization, electronic structure and infrared spectroscopy of adsorption and sensing.

While the world is in search of a vaccine that can cure COVID-19 disease, favipiravir is the most commonly used antiviral drug in the treatment of patients during the pandemic process. In this study, we investigated the host-guest interaction between the popular supramolecule calix[4]arene derivatives and the favipiravir drug by using the DFT (Density Functional Theory) method. The B3LYP hybrid method and 6-31G (d,p) basis set were utilized to determine the optimized structures of the host and guest molecules and their complexes.

Mechanistic pathways of cationic and anionic surfactants sorption by kaolinite in water.

Surfactants are widely used in many chemical industries and as primary components of cleaning detergents due to their specific characteristics, which in turn results in high pollution of domestic and industrial wastewaters by such substances. In this study, the mechanistic pathways of the adsorption of cationic benzyl-dimethyl-dodecyl ammonium bromide (BDDAB) and anionic sodium dodecyl sulfate (SDS) surfactants on kaolinite clay in water were investigated. The results showed that the adsorption of anionic surfactant (SDS) on kaolinite is better compared with cationic surfactant (BDDAB), wherein the ♦maximum adsorption capacity was found 161.

Use of silica-based homogeneously distributed gold nickel nanohybrid as a stable nanocatalyst for the hydrogen production from the dimethylamine borane.

In this study, the effects of silica-based gold-nickel (AuNi@SiO) nanohybrid to the production of hydrogen from dimethylamine borane (DMAB) were investigated. AuNi@SiO nanohybrid constructs were prepared as nanocatalysts for the dimethylamine borane dehydrogenation. The prepared nanohybrid structures were exhibited high catalytic activity and a stable form.

Composites of Platinum-Iridium Alloy Nanoparticles and Graphene Oxide for the Dimethyl Amine Borane (DMAB) dehydrogenation at ambient conditions: An Experimental and Density Functional Theory Study.

In this paper, we present the synthesis, characterization, catalytic and computational studies of Composites of Platinum-Iridium Alloy Nanoparticles and Graphene Oxide (PtIr@GO) for dimethylamine borane (DMAB) dehydrogenation. The prepared PtIr@GO nanocatalysts were synthesized using an ethanol super-hydride method, and the characterization procedures for PtIr@GO alloy nanoparticles were carried out by various advanced spectroscopic methods like X-ray Diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Transmission Electron Microscopy(TEM) and high-resolution transmission electron microscopy (HRTEM). Additionally, catalytic activity, reusability, substrate concentration, and catalyst concentration experiments were performed for DMAB dehydrogenation catalyzed by PtIr@GO alloy nanomaterials.

Inverse identification of a higher order viscous parameter of rigid porous media in the high frequency domain.

In this paper, a modeling extension for the description of wave propagation in rigid porous media at high frequencies is used. To better characterize the visco-inertial and thermal interactions between the fluid and the structure in this regime, two additional characteristic viscous and thermal surfaces Σ and Σ are taken into account, as initially introduced in Kergomard, Lafarge, and Gilbert [Acta Acust. Acust.

Acoustical modeling and Bayesian inference for rigid porous media in the low-mid frequency regime.

In this article, a modeling extension for the description of wave propagation in porous media at low-mid frequencies is introduced. To better characterize the viscous and inertial interactions between the fluid and the structure in this regime, two additional terms described by two parameters and are taken into account in the representation of the dynamic tortuosity in a Laurent-series on frequency. The model limitations are discussed.

Bayesian inference for the ultrasonic characterization of rigid porous materials using reflected waves by the first interface.

The purpose of this paper is to present a method for the ultrasonic characterization of air-saturated porous media, by solving the inverse problem using only the reflected waves from the first interface to infer the porosity, the tortuosity, and the viscous and thermal characteristic lengths. The solution of the inverse problem relies on the use of different reflected pressure signals obtained under multiple obliquely incident waves, in the time domain. In this paper, the authors propose to solve the inverse problem numerically with a first level Bayesian inference method, summarizing the authors' knowledge on the inferred parameters in the form of posterior probability densities, exploring these densities using a Markov-Chain Monte-Carlo approach.

A density functional theory study of hydrogen adsorption on Be-, Mg-, and Ca-exchanged LTL zeolite clusters.

Hydrogen molecule adsorption on frameworks consisting of alkaline earth metal atoms (Be, Mg, or Ca) in LTL zeolite was investigated via density functional theory. A 24T zeolite cluster model was used in this study. HOMO and LUMO energy, chemical potential, chemical hardness, electronegativity, adsorption energy, and adsorption enthalpy values were calculated.

A new balancing three level three dimensional space vector modulation strategy for three level neutral point clamped four leg inverter based shunt active power filter controlling by nonlinear back stepping controllers.

In this paper is proposed a new balancing three-level three dimensional space vector modulation (B3L-3DSVM) strategy which uses a redundant voltage vectors to realize precise control and high-performance for a three phase three-level four-leg neutral point clamped (NPC) inverter based Shunt Active Power Filter (SAPF) for eliminate the source currents harmonics, reduce the magnitude of neutral wire current (eliminate the zero-sequence current produced by single-phase nonlinear loads), and to compensate the reactive power in the three-phase four-wire electrical networks. This strategy is proposed in order to gate switching pulses generation, dc bus voltage capacitors balancing (conserve equal voltage of the two dc bus capacitors), and to switching frequency reduced and fixed of inverter switches in same times. A Nonlinear Back Stepping Controllers (NBSC) are used for regulated the dc bus voltage capacitors and the SAPF injected currents to robustness, stabilizing the system and to improve the response and to eliminate the overshoot and undershoot of traditional PI (Proportional-Integral).

Assessment and quantification of patient set-up errors in nasopharyngeal cancer patients and their biological and dosimetric impact in terms of generalized equivalent uniform dose (gEUD), tumour control probability (TCP) and normal tissue complication probability (NTCP).

Objective: The aim of this study is to assess and quantify patients' set-up errors using an electronic portal imaging device and to evaluate their dosimetric and biological impact in terms of generalized equivalent uniform dose (gEUD) on predictive models, such as the tumour control probability (TCP) and the normal tissue complication probability (NTCP).

Methods: 20 patients treated for nasopharyngeal cancer were enrolled in the radiotherapy-oncology department of HCA. Systematic and random errors were quantified.

Comparative study of reference currents and DC bus voltage control for Three-Phase Four-Wire Four-Leg SAPF to compensate harmonics and reactive power with 3D SVM.

In this paper the performances of three reference currents and DC bus voltage control techniques for Three-Phase Four-Wire Four-Leg SAPF are compared for balanced and unbalanced load conditions. The main goals are to minimize the harmonics, reduce the magnitude of neutral current, eliminate the zero-sequence current components caused by single-phase nonlinear loads and compensate the reactive power, and on the other hand improve performances such as robustness, stabilization, trajectory pursuit, and reduce time response. The three techniques are analyzed mathematically and simulation results are compared.

Measuring static viscous permeability of porous absorbing materials.

Conventional acoustical methods for measuring the permeability or flow resistivity of a porous material require a priori estimation of the porosity. In this work, an acoustical method is presented in which a simplified expression (independent of both the frequency and porosity) for the transmitted waves at the Darcy's regime (low frequency range) is derived, and used for the inverse determination of both the viscous static permeability (or flow resistivity) and the thickness of air-saturated porous materials. The inverse problem is solved based on the least-square numerical method using experimental transmitted waves in time domain.

Generalized equation for transient-wave propagation in continuous inhomogeneous rigid-frame porous materials at low frequencies.

This paper provides a temporal model for the propagation of transient acoustic waves in continuous inhomogeneous isotropic porous material having a rigid frame at low frequency range. A temporal equivalent fluid model, in which the acoustic wave propagates only in the fluid saturating the material, is considered. In this model, the inertial effects are described by the inhomogeneous inertial factor [A.

A DFT study on the [VO]1+-ZSM-5 cluster: direct methanol oxidation to formaldehyde by N2O.

The mechanism of direct oxidation of methanol to formaldehyde by N2O has been theoretically investigated by means of density functional theory over an extra framework species in ZSM-5 zeolite represented by a [(SiH3)4AlO4](1-)[V-O](1+) cluster model. The catalytic reactivity of these species is compared with that of mononuclear (Fe-O)(1+) sites in ZSM-5 investigated in our earlier work at the same level of theory (J. Catal.

Transient ultrasound propagation in porous media using Biot theory and fractional calculus: application to human cancellous bone.

A temporal model based on the Biot theory is developed to describe the transient ultrasonic propagation in porous media with elastic structure, in which the viscous exchange between fluid and structure are described by fractional derivatives. The fast and slow waves obey a fractional wave equation in the time domain. The solution of Biot's equations in time depends on the Green functions of each of the waves (fast and slow), and their fractional derivatives.

Measuring static thermal permeability and inertial factor of rigid porous materials (L).

An acoustic method based on sound transmission is proposed for deducing the static thermal permeability and the inertial factor of porous materials having a rigid frame at low frequencies. The static thermal permeability of porous material is a geometrical parameter equal to the inverse trapping constant of the solid frame [Lafarge et al., J.

Total synthesis of quinolizidine (-)-217A.

We report here the construction of quinolizidine ring systems by intramolecular cyclization of suitable functionalized piperidines via a reductive amination sequence. This reaction proceeds with a total stereocontrol at C4. The preparation of the piperidine precursors is based on a chain elongation of a piperidine aldehyde either by aldolization or by Wittig reaction.

Application of the Biot model to ultrasound in bone: inverse problem.

This paper concerns the ultrasonic characterization of human cancellous bone samples by solving the inverse problem using experimentally measured signals. The inverse problem is solved numerically by the least squares method. Five parameters are inverted: porosity, tortuosity, viscous characteristic length, Young modulus, and Poisson ratio of the skeletal frame.

Application of the biot model to ultrasound in bone: direct problem.

Ultrasonic wave propagation in human cancellous bone is considered using Biot's theory modified by the Johnson-Koplik-Dashen model for viscous exchange between fluid and structure. The transmission coefficient is derived for a slab of porous material. Experimental results for fast and slow waves transmitted through human cancellous bone samples are given and compared with theoretical predictions.

Generalized hyperbolic fractional equation for transient-wave propagation in layered rigid-frame porous materials.

This paper provides a temporal model for the propagation of transient ultrasonic waves in a layered isotropic porous material having a rigid frame. A temporal equivalent fluid model is considered, in which the acoustic wave propagates only in the fluid saturating the material. In this model, the inertial effects are described by the layered tortuosity and the viscous and thermal losses of the medium are described by two layered susceptibility kernels which depend on the viscous and thermal characteristic lengths.

Measuring permeability of porous materials at low frequency range via acoustic transmitted waves.

An acoustical transmission method is proposed for measuring permeability of porous materials having rigid frame. Permeability is one of the several parameters required by acoustical theory to characterize porous materials such as plastic foams and fibrous or granular materials. The proposed method is based on a temporal model of the direct and inverse scattering problem for the diffusion of transient low frequency waves in a homogeneous isotropic slab of porous material having a rigid frame.

Ultrasonic characterization of human cancellous bone using the Biot theory: inverse problem.

This paper concerns the ultrasonic characterization of human cancellous bone samples by solving the inverse problem using experimental transmitted signals. The ultrasonic propagation in cancellous bone is modeled using the Biot theory modified by the Johnson et al. model for viscous exchange between fluid and structure.