Nanostructured bismuth ferrite (BiFeO) single-phase nanoparticles with 76.2% crystallinity and 100% perovskite structure were synthesized using a co-precipitation method. The X-ray diffraction pattern confirmed the perovskite structure of BFO, and Rietveld refinement demonstrated the presence of a triclinic structure with the 1 space group.
View Article and Find Full Text PDFMagnesium-sulfur (Mg-S) batteries offer a promising energy storage system due to their high theoretical capacity. However, the sluggish conversion reaction kinetics and the shuttle effect of magnesium polysulfides hinder their practical application. The high charge density of the divalent Mg cations leads to slow kinetics caused by significant electrostatic interactions between Mg and its surrounding solvent and anion species.
View Article and Find Full Text PDFIntroduction And Aim: Status epilepticus (SE) in children is a critical condition that can be life-threatening. The objective of this study was to identify factors associated with the occurrence of SE after a first convulsive seizure in children.
Methods: A retrospective study was conducted at the pediatric department of BEN AROUS regional hospital between January 2015 and December 2019.
Functionalization of cellulose with nanomaterials and functional groups is essential for enhancing its properties for specific applications, such as flexible sensors and printed electronics. This study employs Hartree Fock (HF) and Density Functional Theory (DFT) calculations to investigate the vibrational spectra of cellulose, identifying DFT: B3LYP/3-21 g** as the optimal model aligning with experimental spectra. Using this model, we examined the impact of functionalizing cellulose with various groups (OH, NH, COOH, CH, CHO, CN, SH) and graphene oxide (GO) on its electronic properties.
View Article and Find Full Text PDFThe pursuit of efficient and sustainable energy storage solutions has fueled significant interest in the development of advanced materials for supercapacitors. Among these, two-dimensional (2D) materials undoubtingly have emerged as promising candidates due to their unique structural and electrochemical properties. To address the inherent challenges such as restacking, limited ion-accessibility, limited scalability, stability under operational conditions, and the intricate balance between surface area and conductivity that hinder the practical application of 2D materials, this article delves into innovative approaches and emerging strategies and prospects that aim to enhance their performance and durability.
View Article and Find Full Text PDFThe auto-combustion method synthesized CuO NPs and Ag/CuO NPs. The Ag/CuO NPs were analyzed using Fourier-transform infrared, X-ray diffraction, scanning electron microscope, and Energy-dispersive X-ray spectroscopy instrumental analyses. The energy band gap, as determined by DRS properties, decreases from 3.
View Article and Find Full Text PDFDesign: This retrospective cohort study aimed to investigate the risk and variables of tooth loss for teeth adjacent to dental implants compared to teeth nonadjacent to implants. The study followed the STROBE guidelines and was approved by the Institutional Review Board.
Cohort Selection: The study included patients treated with dental implants at UCSF School of Dentistry between 2000 and 2020.
Designing heterostructure photocatalysts is a promising approach for developing highly efficient photocatalysts for hydrogen energy production. In this work, we synthesized a series of a covalent organic framework (COF)/g-CN (CN) heterojunction photocatalysts, denoted as x % COF/CN (in which x indicates the weight % of COF and x = 5, 10, 20, 30, 40, 50, 90, 95, 100), for hydrogen production. The COF, which is a key component of the photocatalyst, was prepared by assembling benzothiadiazole (BT) and pyrene (Py) derivatives as building blocks.
View Article and Find Full Text PDFIn this study, a series of eight non-fused rings-based semiconducting acceptors (AR1-AR8) were computationally developed by making modifications to the parent molecule (PTICO). In this study, a DFT analysis was conducted at an accurately chosen level of theory to gather a comprehensive inventory of the optoelectronic characteristics of AR1-AR8 and PTICO. The findings indicate that all recently developed molecules exhibit a bathochromic shift in their maximum UV-visible absorbance (λ) with a smaller band gap (E).
View Article and Find Full Text PDFPolytetrafluoroethylene (PTFE) is one of the most significant fluoropolymers, and one of the most recent initiatives is to increase its performance by using metal oxides (MOs). Consequently, the surface modifications of PTFE with two metal oxides (MOs), SiO and ZnO, individually and as a mixture of the two MOs, were modeled using density functional theory (DFT). The B3LYPL/LANL2DZ model was used in the studies conducted to follow up the changes in electronic properties.
View Article and Find Full Text PDFThe present study, LaSrMO (M = Mn-, Co-, and Fe-), perovskite, has successfully been synthesized via co-precipitation and sol-gel auto-combustion. XRD, SEM, and EDX characterized the prepared samples. XRD and SEM showed that the as-prepared LaSrMnO and LaSrCoO have multiphase.
View Article and Find Full Text PDFIn this present work, a PVA/PVP-blend polymer was doped with various concentrations of neodymium oxide (PB-Nd) composite films using the solution casting technique. X-ray diffraction (XRD) analysis was used to investigate the composite structure and proved the semi-crystallinity of the pure PVA/PVP polymeric sample. Furthermore, Fourier transform infrared (FT-IR) analysis, a chemical-structure tool, illustrated a significant interaction of PB-Nd elements in the polymeric blends.
View Article and Find Full Text PDFIn the current study, the drug loading ability of graphyne (GY) for the amiodarone (AMD) drug is investigated for the first time. The efficacy of GY as a carrier for amiodarone (a cardiovascular drug) is evaluated by calculating its electronic, energetic, optimized, and excited state properties with help of the density functional theory (DFT). The AMD drug interacted with the GY molecule with an adsorption energy of about -0.
View Article and Find Full Text PDFIn this paper, we discuss the preparation of Li-doped ZnO nanostructures through combustion and report on their structural, morphological, optical, and electrocatalysis properties. X-ray diffraction analyses show that the samples have a structure crystallized into the usual hexagonal wurtzite ZnO structure according to the space group. The scanning electron microscope images conceal all samples' nanosphere bundles and aggregates.
View Article and Find Full Text PDFThis report provides the first description of the myco-synthesis of rod-shaped MnO NPs with an average crystallite size of ~ 35 nm, employing extracellular bioactive metabolites of endophytic Trichoderma virens strain EG92 as capping/reducing agents and MnCl·4HO as a parent component. The wheat bran medium was chosen to grow endophytic strain EG92, which produced a variety of bioactive metabolites in extracellular fraction, which increases the yield of MnO NPs to 9.53 g/l.
View Article and Find Full Text PDFA lanthanum oxide (LaO)-ZnO nanostructured material was synthesized in the proposed study with different LaO concentrations, 0.001 g to 5 g (named So to S7), using the combustion method. X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier transformation infrared spectroscopy (FT-IR) were utilized for investigating the structure, morphology, and spectral studies of the LaO- ZnO nanomaterials, respectively.
View Article and Find Full Text PDFBackground: Carbapenemase-producing Gram-negative (CPGN) bacteria impose life-threatening infections with limited treatment options. Rigor and rapid detection of CPGN-associated infections is usually associated with proper treatment and better disease prognosis. Accordingly, this study aimed at evaluating the phenotypic methods versus genotypic methods used for the detection of such pathogens and determining their sensitivity/specificity values.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
February 2023
The target is a novel nano-combination membrane (NCM) via Terbium oxide nanoparticles (TbO NPs) and nickel oxide (NiO NPs) which integrates on the graphene oxide (GO) surface. The NCM is characterized by different tools such as X-ray diffraction (XRD), UV-visible spectrophotometer (UV-vis), and Scanning electron microscopy (SEM)for removing organic pollutants. The precipitation method has been applied for fabricating the selected metal oxides (MOs), where the terbium chloride and nickel chloride are used as precursors for fabricating the metal oxides (MOs) NPs that formed with potassium hydroxide in the solution.
View Article and Find Full Text PDFComput Intell Neurosci
October 2022
Intrusion detection systems examine the computer or network for potential security vulnerabilities. Time series data is real-valued. The nature of the data influences the type of anomaly detection.
View Article and Find Full Text PDFThis study aimed to investigate the chemical composition of essential oils isolated from Acca sellowiana (feijoa) leaves and stems and elaborate on their relevance as natural anti-aging, coupled with molecular-docking studies. The isolated oils were analysed using gas chromatography-mass spectrometry analysis and investigated for inhibitory effects against acetylcholinesterase, β-secretase, collagenase, elastase and tyrosinase. Molecular-modelling study was performed using MOE-Dock program to evaluate binding interactions of major components with the above-mentioned targets.
View Article and Find Full Text PDFBackground: Fungi are rich source of biologically active metabolites aimed for the improvement of human health through the prevention of various diseases, including infections and inflammatory disorders.
Aim: We aimed to in vitro examine the anti-SARS CoV-2 activity of the aqueous extract of each .) , (.
An efficient and environmentally friendly combustion technique was employed to produce ZnO nanopowders with different Eu concentrations (from 0.001 g to 5 g). The structural morphology of the EuO-ZnO nanocomposites was examined using XRD, SEM, and infrared spectroscopy (FT-IR).
View Article and Find Full Text PDFIn this study, the X-ray and gamma attenuation characteristics and optical properties of a synthesized tellurite-phosphate-sodium oxide glass system with a composition of (85 - x)TeO-10PO-xNaO mol% (where x = 15, 20, and 25) were evaluated. The glass systems we re fabricated by our research group using quenching melt fabrication. The shielding parameters of as-synthesized systems, such as the mass attenuation coefficient (MAC), linear attenuation coefficient (LAC), effective atomic number (Z), half-value layer (HVL), tenth value layer (TVL), mean free path (MFP), and effective electron density (N) in a wide energy range between 15 keV and 15 MeV, were estimated using well-known PHY-X/PSD software and recently developed MIKE software.
View Article and Find Full Text PDFIn the present work, 0.25 wt%GNP-Ti composites were prepared through powder metallurgy route by adopting three types of mixing modes to investigate the extent of mixing on the mechanical and tribological properties. Dry ball milling, wet ball milling, and rotator mixing were independently employed to homogenize the composite constituents.
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