Abstract Zinc oxide nanoparticles are a type of nanomaterial that has been widely studied due to their unique physical and chemical features. When metal particles are doped with zinc oxide nanoparticles, it helps reduce toxicity and makes it easier to create very small particles with improved antibacterial and magnetic properties, which could be useful in biomedical uses. In this study, the differences between pure zinc oxide nanoparticles and titanium-doped zinc oxide nanoparticles were examined based on their structure and electronic behavior. The titanium-doped zinc oxide nanoparticles showed strong antibacterial effects against negative bacteria at every tested concentration. A detailed study was performed using DFT calculations at the CAM-B3LYP-D3/6-311+G (d,p) level to investigate how H 2 O is captured by a ZnO or ZnTiO heterocluster. The weak signal strength observed near the parallel edge of the nanocluster sample could be because of the non-spherical arrangement of these heteroclusters caused by H/OH binding. This hypothesis about energy absorption was supported by analyzing the density distributions of TDOS, PDOS, OPDOS, ESP for water-coated ZnO and ZnTiO heteroclusters. An isosurface map showed a larger area involved in H 2 O adsorption on the surface, leading to the formation of hydrated complexes of ZnO-(H + OH − ) and ZnTiO-(H + OH − ) with specific atoms labeled as O1, Zn/Ti, O27, H29, and H30. Based on this, it could be said that the Zn/Ti in the cubic heteroclusters, respectively has a greater ability to accept electrons during H 2 O adsorption. It’s also important to note that when all the surface elements of these heteroclusters are covered by OH − /H + ions, the semiconducting treatment is restored. These findings suggest that the electronic properties can be adjusted by controlling the adsorption position on the surface. Undoped and doped-ZnO with transition metals have shown benefits in medical uses, such as better antibacterial effects, improved imaging, and greater compatibility and stability of the nanoparticles in the body. The findings show that doping ZnO is a useful way to improve their medical properties compared to the normal version and also suggest new possibilities for using ZnO in nanomedicine.
Abstract Addressing the current issues of polymer technology in terms of stability in high-temperature, high-salt environments, reservoir adaptability, material cost, and environmental safety, the development directions of intelligent responsive polymers, biobased materials, and multifunctional composite systems are further analyzed. This paper aims to establish a connection between molecular structure design, interfacial interaction mechanisms, and engineering applications, providing a theoretical basis for the efficient development, green separation, and novel polymer material design of heavy oil resources.
Abstract Phytoconstituents exhibit various effects, including antidiabetic, anticancer, cardioprotective, antioxidant, neuroprotective, and anti-infective effects. Across all the phytoconstituents, melatonin (MLT) has several beneficial effects. Basically, melatonin is secreted by the pineal gland. It is also available in most plants and plays key roles as a free radical scavenger, a potential agent for adjuvant therapy in cancer, a regulator of circadian rhythm, a management of insomnia (maintenance of the sleep cycle), an immunomodulatory agent, an anti-inflammatory agent, and more. Due to its low oral solubility, soya lecithin nanovesicles can help enhance its bioavailability. But detecting melatonin in nanovesicles is challenging. So, here we developed and validated a UV–visible spectrophotometric method for detecting melatonin in the nanovesicles. The method was developed in a buffer at a pH of 7.4. At a wavelength of 278 nm and over a concentration range of 6–36 µg mL –1 , the coefficient of determination was 1.0, confirming linearity. The method was also demonstrated to be precise, sensitive, robust, reproducible, and accurate. In silico toxicity predicted respiratory toxicity (84 %) and BBB toxicity (84 %). This analytical method can be used to predict MLT in nanostructured products, large-dose forms, and various pharmaceutical preparations.
Abstract Surfactants are in high demand across various industrial sectors. Edible oils are a renewable feedstock resource which has acquired increasing demand due to the environmentally-friendly alternatives t7o the petroleum-based products, with focus on sustainability and green chemistry principles. Renewable feedstock not only enhance biodegradability but also supports circular economy. The study deals with the synthesis of anionic surfactant from grapeseed oil which is a byproduct for the wine industry. It is rich in linoleic C18:2, oleic C18:1, palmitic C16 and stearic C18 fatty acids present in it. Anionic surfactant was synthesized via transesterification of grapeseed oil (GSO) and Sulfonation followed by sodium bisulphite (NaHSO 3 ) and Neutralization. The process yielded fatty acid methyl ester (FAME) and methyl ester sulfonates (MES), an anionic surfactant with good surface-active properties. Characterization included the successful initiation of sulfonate groups, examined by fourier transform infrared spectroscopy (FTIR) along with nuclear magnetic resonance (NMR), surface activity parameters like surface tension, foam height, critical micelle concentration (CMC), contact angle, active matter, moisture content, pH, and appearance was determined. This work confirms grapeseed oil as a potential raw material for eco-friendly anionic surfactant production, furnishing valuable prospects, applications in cosmetics and detergency and adaptable alternatives in the surfactant industry.
This research utilizes conductivity measurements to elucidate the temperature-induced aggregation of cetyltrimethylammonium bromide (CTAB) in combination with nafcillin sodium (NafNa), in addition to emphasizing the impact of urea and glucose on micellization. The addition of NafNa delayed the micellization of CTAB. Glucose, by establishing hydrogen bonds with water, renders the solvent less conducive for the hydrophobic tails of the CTAB surfactant, thereby elevating the CMC. Urea diminishes the hydrophobic action that promotes micellization by altering the water structure, hence increasing the CMC The interaction between CTAB and NafNa has been characterized employing physicochemical variables (counterion dissociation, alpha; and CMC) and thermodynamic parameters (entropy of micellization, Delta S 0 m ; Gibbs energy of micellization, Delta G 0 m ; and enthalpy of micellization, Delta H 0 m ). The spontaneity of micellization in the CTAB-NafNa system in both water and urea/glucose conditions is depicted by the negative Delta G 0 m results. Negative Delta S 0 m and Delta H 0 m values indicate the predominance of H-bonding, while positive values of Delta S 0 m and Delta H 0 m indicate hydrophobic interactions. The results offer critical understanding for scholars aiming to refine parameters, including temperature, concentration, and the incorporation of urea/glucose additives, to improve the effectiveness and durability of drug delivery systems.
