Journal of Nano Materials Impact

Simulation of the electronic and thermodynamic properties of deoxyhemoglobin docking with nano Cinnamon and Glucose, as well as the docking of glucose with hypoglycemic medications, were studied using the Gaussian 09 program. The optimized structures of the dockings were executed. The effect of the drug (Forxiga) and (nano Cinnamon) docking with deoxyhemoglobin was ascertained. The results show that the deoxyhemoglobin docking with nano Cinnamon causes a non-spontaneous change in Gibbs free energy. Moreover, the change in enthalpy indicates that every reaction is endothermic. Thus, it can be concluded that, whereas nano Cinnamon is docking with deoxyhemoglobin safe and harmless. Glucose has a negative effect on the human body's circulation. Structures have been modeled and prepared in the GaussView 6.0.16 program using density functional theory at the level (B3LYP), with basis set (6 -311G(d,p)).

This work attempts to enhance the photocatalytic activity of methylene orange by adding X% ZnO/NiO nanoparticles. For this purpose, zinc oxide and nickel oxide nanoparticles and nanocomposites have been prepared (where X: 100, 75, 50, 25, and 0%). The structural properties of the prepared nanomaterials were studied using XRD, FESEM, and EDX. The result revealed that the particle distribution was homogeneous, with overlap between the hexagonal zinc oxide and cubic nickel oxide lattices. On the other hand, the energy band gap of the prepared samples was determined using UV-Vis diffuse reflectance spectroscopy. The performance of ZnO and NiO particles and their nanocomposites in the photodegradation of methylene orange (MeO) dye was evaluated using UV light as a catalyst. The photocatalytic efficiency was determined through the photodegradation of MeO dye. The results show that the ZnO/NiO nanocomposites give a good photodegradation rate. The results show that the peak degradation of the dye is at the wavelength of 465 nm, and the highest photodegradation efficiency is 76% for the Zn-25% nanocomposites after 180 minutes of irradiation.

One of the most common hospital-acquired infections is a wound infection. Bacterial infection of wounds is a critical problem, and healing of wound infections remains important concern for surgeons. The problem has been exaggerated because of the uncontrolled and quickly spreading resistance to the existing antimicrobial agents. To overcome bacterial resistance to antibiotics, a variety of alternatives have been suggested. Medicinal plants extracted through various methods, as well as their nano-formulations, have emerged as promising sources for novel antimicrobial agents. This study evaluates the antibacterial efficacy of Myristica fragrans (Nutmeg) seed extracts against multidrug-resistant pathogenic bacteria isolated from infected wounds. A total of 50 wound swab samples were collected from patients who were admitted to hospitals in Baghdad. Different biochemical tests were used to identify the isolated bacteria. An antibiotic susceptibility test was also done. M. fragrans seeds' ethanolic and aqueous crude extracts were prepared. The antibacterial activity of the extracts was investigated using the agar well diffusion method. Eight genera of bacterial agents were isolated and identified: Escherichia coli (58.3%), Acinetobacter baumannii (4.2%), Klebsiella pneumoniae (8.3%), Pseudomonas aeruginosa (20.8%), Enterobacter (8.3%), Staphylococcus aureus (80%), Staphylococcus epidermidis (11.5%), and Streptococcus sp. (7.7%). Antibiotic susceptibility test showed that the isolated bacteria were multidrug-resistant. The results revealed potential activity of M. fragrance seeds extracts against the isolated bacteria. Hot ethanolic extract showed antibacterial activity in all concentrations (2 mg/ml, 4 mg/ml, and 8 mg/ml). The highest inhibition zone was 17.00±2.000, 14.67±0.77, and 14.33±1.5 mm at a concentration of 8 mg/ml against A. baumannii, P. aeruginosa, and E. coli, respectively. Followed by K. pneumoniae, Enterobacter sp., and S. aureus, the zone of inhibition was 13.67±1.528 mm and 12.67±1155 mm, respectively. Hot aqueous extract also showed activity. The highest inhibition zone at a concentration of 8 mg/ml was against Enterobacter sp. (15.00±0.000 mm), followed by A. baumannii (14.67±0.577mm), K. pneumoniae (14.33±0.577 mm), P. aeruginosa (13.67±0.577 mm), E. coli (13.00±1.000 mm), and S. aureus (12.00±0.000mm). M. fragrans seed extracts showed antibacterial activity against both gram-positive and gram-negative multidrug-resistant pathogenic bacteria. Based on this work findings, M. fragrans extracts have a broad spectrum of antibacterial activity.

A simulation of nano ablating an induced cancerous tumor in the thigh of a sheep was conducted after slaughtering it. The simulation was conducted on the assumption that the tumor and cancer occurred due to the abnormal growth of one of the amino acids that make up the collagen protein, which is proline, with a percentage of cancer cell division ranging from 10% to 90% in the tissues of the thigh of the sheep, as collagen is one of the proteins that make up the connective tissue of the thigh of the sheep. The surgical ablation of the aforementioned cancer was carried out practically using a laser knife, by implementing the output data obtained from the computational simulation. The Gauss View 6.0.16 program was used to build the spatial structure of the collagen protein and the amino acid proline, and the Gaussian 09 program was used to simulate the physical properties. A simulation program written in Fortran 90 was used to calculate the rate and time of tumor ablation, using the finite difference method, by using the data obtained from the simulation of physical properties by the Gaussian 09 program. A CO2 laser knife with a wavelength of 10600 nm was used to perform the tumor ablation operation. The simulation was carried out using the density functional theory method at the B3LYP level, in conjunction with the 6 – 311G(d,p) basis set. There was a great match between the rate of ablation in the simulation and the rate of ablation in the practical, as they were (1.87) mm/sec and (2.25) mm/sec, for 90 Vol. % respectively. It can be concluded from the results of the study that the simulation data can be used to help represent a surgical ablation operation with high accuracy in terms of time and rate of ablation.

Cancer treatment represents a major challenge in the medical field due to its complexity and the diverse nature of the disease.
Conventional treatments, such as chemotherapy, have numerous side effects that negatively impact patients. Plasmonic
nanomaterials and herbal plant extracts have recently been exploited as a new future therapeutic approach to combat cancer with
minimal side effects. Silver nanoparticles (AgNPs) have unique chemical and physical properties, such as biocompatibility and
plasmonic behavior, which can be used as effective anticancer agents. Clove extract (Syzygium aromaticum) is a medicinal plant
with many therapeutic properties, such as antibacterial, antifungal, antiviral, and antiseptic properties. In this study, the plasma
phenomenon was adopted through DC sputtering and cold atmospheric plasma jetting (CAPJ) technique as a simple, inexpensive,
and environmentally friendly physical technique for the preparation of cold nanoparticles (AgNPs) and extraction of clove
emulsion. The anticancer effect of silver nanoparticles, clove emulsion, and their mixture was studied against MDA-MB-231
breast cancer cells and normal REF cells in vitro. AgNPs were synthesized at different preparation currents (6, 8, and 10 mA),
and some of their physical properties were analyzed using UV-vis spectroscopy, XRD, and SEM. The localized surface plasmon
resonance (SPR) peak is visible, indicating plasmon behavior. The crystalline structure and spherical shape of the nanoparticles
were observed from XRD and SEM images, respectively. FTIR spectroscopy of the emulsified clove extract was performed to
analyze its chemical compounds. Eugenol compounds were observed in the infrared spectrum of the emulsion extract of cloves
that had undergone the filtration and drying process. The anticancer activity was investigated by performing a cytotoxicity test
(MTT test) against the breast cancer cell line MDA-MB-231. The maximum growth inhibition value of MDA cancer cells was
obtained by adding a mixture of cold colloidal nanoparticles with clove emulsion extract at a mixing ratio of 100:100 and an
incubation period of 48 hours. Our results confirm the potential of AgNPs and clove emulsion mixture as a promising anticancer
therapy.