Molecular modeling analyses of functionalized cellulose.

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.

Performance of Ag-doped CuO nanoparticles for photocatalytic activity applications: Synthesis, characterization, and antimicrobial activity.

The 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.

DFT and QSAR studies of PTFE/ZnO/SiO nanocomposite.

Polytetrafluoroethylene (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.

Structural, Optical, and Electrical Investigations of NdO-Doped PVA/PVP Polymeric Composites for Electronic and Optoelectronic Applications.

In 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.

Enhancement in the Structural, Electrical, Optical, and Photocatalytic Properties of LaO-Doped ZnO Nanostructures.

A 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.

Predicting the Kidney Graft Survival Using Optimized African Buffalo-Based Artificial Neural Network.

A variety of receptor and donor characteristics influence long-and short-term kidney graft survival. It is critical to predict the effectiveness of kidney transplantation to optimise organ allocation. This would allow patients to choose the best accessible kidney donor and the optimal immunosuppressive medication.

The Auto-Combustion Method Synthesized EuO ZnO Nanostructured Composites for Electronic and Photocatalytic Applications.

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).

Evaluation of the Radiation Shielding Properties of a Tellurite Glass System Modified with Sodium Oxide.

In 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.

Influence of Homogenizing Methodology on Mechanical and Tribological Performance of Powder Metallurgy Processed Titanium Composites Reinforced by Graphene Nanoplatelets.

In 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.

Fabrication and Characterization of Highly Efficient As-Synthesized WO/Graphitic-CN Nanocomposite for Photocatalytic Degradation of Organic Compounds.

The incorporation of tungsten trioxide (WO) by various concentrations of graphitic carbon nitride (g-CN) was successfully studied. X-ray diffraction (XRD), Scanning Electron Microscope (SEM), and Diffused Reflectance UV-Vis techniques were applied to investigate morphological and microstructure analysis, diffused reflectance optical properties, and photocatalysis measurements of WO/g-CN photocatalyst composite organic compounds. The photocatalytic activity of incorporating WO3 into g-CN composite organic compounds was evaluated by the photodegradation of both Methylene Blue (MB) dye and phenol under visible-light irradiation.

The Photocatalytic Performance of NdO Doped CuO Nanoparticles with Enhanced Methylene Blue Degradation: Synthesis, Characterization and Comparative Study.

The growth of the textile industry results in a massive accumulation of dyes on water. This enormous rise in pigments is the primary source of water pollution, affecting the aquatic lives and our ecosystem balance. This study aims to notify the fabrication of neodymium incorporated copper oxide (NdO doped CuO) nanoparticles by combustion method for effective degradation of dye, methylene blue (MB).

Numerical and Thermal Investigation of Magneto-Hydrodynamic Hybrid Nanoparticles (SWCNT-Ag) under Rosseland Radiation: A Prescribed Wall Temperature Case.

Thermal heat generation and enhancement have been examined extensively over the past two decades, and nanofluid technology has been explored to address this issue. In the present study, we discuss the thermal heat coefficient under the influence of a rotating magneto-hydrodynamic hybrid nanofluid over an axially spinning cone for a prescribed wall temperature (PWT) case. The governing equations of the formulated problem are derived by utilizing the Rivlin-Ericksen tensor and boundary layer approximation (BLA).

Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling Approaches.

The surface of pure polytetrafluoroethylene (PTFE) microfibers was modified with ZnO and graphene (G), and the composite was studied using ATR-FTIR, XRD, and FESEM. FTIR results showed that two significant bands appeared at 1556 cm and 515 cm as indications for CuO and G interaction. The SEM results indicated that CuO and G were distributed uniformly on the surface of the PTFE microfibers, confirming the production of the PTFE/CuO/G composite.

Analyzing the Patient Behavior for Improving the Medical Treatment Using Smart Healthcare and IoT-Based Deep Belief Network.

Patient behavioral analysis is a critical component in treating patients with a variety of issues, with head trauma, neurological disease, and mental illness. The analysis of the patient's behavior aids in establishing the disease's core cause. Patient behavioral analysis has a number of contests that are much more problematic in traditional healthcare.

Agrawal Axisymmetric Rotational Stagnation-Point Flow of a Water-Based Molybdenum Disulfide-Graphene Oxide Hybrid Nanofluid and Heat Transfer Impinging on a Radially Permeable Moving Rotating Disk.

The hybrid nanofluid has sparked new significance in the industrial and engineering sectors because of their applications like water heating in solar and analysis of heat exchanger surfaces. As a result, the current study emphasizes the analysis of heat transfer and Agrawal axisymmetric flow towards a rotational stagnation point incorporated via hybrid nanofluids imposing on a radially permeable shrinking/stretching rotating disk. The leading partial differential equations are refined into ordinary differential equations by using appropriate similarity variables.

The Effect of ZnO, MgO, TiO, and NaO Modifiers on the Physical, Optical, and Radiation Shielding Properties of a TeTaNb Glass System.

Novel glass samples with the composition 75TeO-5TaO-15NbO-5x (where x = ZnO, MgO, TiO, or NaO) in mole percent were prepared. The physical, optical, and gamma radiation shielding properties of the glass samples were studied over a wide energy spectrum ranging between 0.015 and 20 MeV.

Optical and radiation shielding characteristics of tellurite glass doped with different rare-earth oxides.

Shielding glass materials doped with heavy metal oxides show an improvement in the effectiveness of the materials used in radiation shielding. In this work, the photon shielding parameters of six tellurite glass systems doped with several metal oxides namely, 70TeO2-10P2O5- 10ZnO- 5.0PbF2- 0.

Multifunctional and smart ErO-ZnO nanocomposites for electronic ceramic varistors and visible light degradation of wastewater treatment.

In this proposed study, erbium (Er)-doped ZnO nanocomposites were prepared through the effective, basic, and green combustion method. The significant effects of Er dopants on the structural, morphological features, dielectric, and optical behaviors of the pure ZnO matrix as well as ErO-ZnO nanostructured materials were investigated applying X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transformation infrared (FT-IR) spectroscopy, and UV-Vis spectrophotometer techniques. These results showed that the synthesized ErO-ZnO nanocomposites are well polycrystalline.

Optically transparent glass modified with metal oxides for X-rays and gamma rays shielding material.

Background: Metal oxide glass composites have attracted huge interest as promising shielding materials to replace toxic, heavy, and costly conventional shielding materials.

Objective: In this work, we evaluate shielding effectiveness of four novel tellurite-based glasses samples doped with oxide metals (namely, A, B, C, and D, which are 75TeO2- 10P2O5- 10ZnO- 5PbF2- 0.24Er2O3 ; 70TeO2- 10P2O5- 10ZnO- 5PbF2 -5MgO- 0.