Journal of Nano Materials Impact

Designing suitable nanoparticles of polymer Polypyrrole (PPy) backbones to improve doping efficiency can provide a new direction in enhancing electronic and optical properties by enhancing the efficiency of doping (ZnO) and (TiO2). Objective: In this study geometry optimization in the gas phase, UV-visible, IR spectrum, and several electronic characteristics have been studied. All computations were based on density functional theory (DFT). Results showed the analysis of ultraviolet and visible spectra. A peak appears in the visible region, and this corresponds to transitions between electronic energy levels within the conjugated polymer chain. This peak is due to π-π* transitions, and these transitions are sensitive to doping levels and oxidation states. The results show the spectroscopic analysis highlights the interactions between TiO2 and PPy nanoparticles. TiO2 particles are characterized by energy gaps that define the absorption edge of the electromagnetic spectrum and thus affect the absorption spectrum of the material as a whole. These effects lead to changes in the locations of the absorption peaks, and this explains changes in the electronic structure and optical properties of these compounds. Transmittance spectra, HOMO and LUMO refer to the highest occupied molecular orbital and the lowest unoccupied molecular orbital respectively band gaps of PPy, PPy/TiO2, and PPy/ZnO polymer nanocomposites are 3.8, 3.3 eV and 3.2 eV, respectively. All (PPy/TiO2 and PPy/ZnO) show a shift in the N–H peak of PPy. The change in stretched peak positions indicates the significant bond formed between PPy and TiO2 as well as ZnO. The bonding of TiO2 and ZnO with PPy polymers. Also observed TiO2 and ZnO are significantly at about (1100, 1300) cm−1 and (1500, 1900) cm−1, respectively.

The study analyzed the thermodynamic parameters of Gibbs free energy, enthalpy, and entropy using the B3LYP function with basis set 6 – 311G(d,p) and density functional theory in the Gaussian 16 software program. The results showed that the Gibbs free energy of oxygen is spontaneous, which facilitating the docking process with deoxyhemoglobin. The change in Gibbs free energy of oxyhemoglobin is (0.566 eV) and this value is used as a standard to compare all other results. The Gibbs free energy of deoxyhemoglobin is greater than both Gibbs energies of the heroin and nano cinnamon, and all entropy values are positive, indicating that all compounds release heat. The total energy is more stable than the total amount of oxygen, and the binding energy is unstable for all substances. The study also found that heroin and nano cinnamon do not directly affect deoxyhemoglobin, but rather affect it gradually due to non-spontaneous reactions. Nano cinnamon works well as a treatment to get rid of the negative effects of heroin on the body.

This study aims to prepare nanochitosan conjugated with paromomycin antibiotic and demonstrate its effect as a therapeutic agent against Entamoeba histolytica parasite in experimentally infected mice by studying the CD4+ and CD8+ lymphocyte cells. The nanomaterial was characterized using XRD examination, which indicated the formation of nanochitosan semicrystalline structure, including crystalline and amorphous. The biological results showed that CD4+ CD8+ had positive reactions. CD4+ was the most reactive biomarker than CD8+ that expresses the activation of T lymphocytes as a response to the E. histolytica infection, and these cells reduced as a response to the treatment showing the active effect of the Nanomaterial as a therapeutic agent against Entamoeba histolytica, parasite, this study is the first in its field to determine the effect of nanochitosan on lymphocytes in Entamoeba histolytica parasitic infection.

In this paper, gold and Moringa oleifera leaf nanoparticles were synthesized using laser ablation techniques by Nd-YAG laser with a wavelength of 1064 nm, energy of 100 mJ, and a frequency of 3 Hz. The gold plate and Moringa oleifera leaf tablets (after grinding it then being compressed and exposed to heat) were immersed in 5 ml of distilled water for each one individually to synthesize nanoparticles as a first step. The second step was a synthesis of core@shell from gold and Moringa nanoparticles with different pulse numbers (250,500, and 750) pulse where gold was used as the core and Moringa as the shell and vice versa. The prepared samples were characterized using transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The Z-Scan technique with a closed aperture system was used to study the nonlinear optical properties of the prepared samples. The results show the success of the techniques used where the particle size was between (15–50) nm. The nonlinear properties of the prepared samples showed that they have a negative nonlinear refractive index, that is, the nonlinear transmittance curve begins with a peak and is followed by a trough.

In this study, we present findings on the optical, structural, and dielectric properties of reduced graphene oxide (rGO)-doped poly(vinyl alcohol) (PVA) nanocomposites. The novelty of this work lies in the comprehensive investigation of optical transparency and band structure parameters across various rGO nanosheet concentrations within the PVA polymer. Several techniques are employed to examine the morphological, structural, and optical properties of the prepared nanocomposites including scanning electron microscopy (SEM), Raman spectroscopy, Fourier-transform infrared spectroscopy (FTIR), and UV-visible spectroscopy. The optical bandgap of the nanocomposites was determined, in addition to the refractive index, optical dielectric constants, and optical conductivity of pure rGO, pure PVA, and rGO-doped PVA nanocomposites. SEM analysis presented detailed imaging of the morphological structure of the nanocomposites. Raman spectroscopy exhibited a decrease in D-band intensity accompanied by an increase in crystalline size, and a decrease in G-band intensity with a lower La, revealing a variation in crystalline size from 35.33 nm to 12.24 nm. The dielectric constant verified an increase with the rise in rGO content at a particular frequency. Understanding the mechanisms underlying the optical properties of rGO-doped PVA nanocomposites could suggestively advance the expansion of more efficient and cost-effective materials for many optical applications. As research progresses, these nanocomposites are prospective to play an essential role in the advancement of technologies such as flexible electronics, smart sensors, and next-generation photonic devices.