Sinapic acid (SA) is widely used in cosmetics, foods, and pharmaceuticals due to its antioxidant, anti-inflammatory, neuroprotective, antimicrobial, antifungal, anticancer, and cardioprotective properties.
The rapidly increasing human population, the high cost of medical equipment, and the spread of multifactor diseases have transformed the entire healthcare industry into an electronic consulting, telediagnosis, delivery, and treatment model to avoid the physical personalization of patients. Despite this, we face many challenges, including low sensitivity of medical instruments, signal losses, and security of medical records. This study aims to develop a lung cancer telemedicine platform that utilizes classical and quantum computing models to classify lung cancer subtypes and stages and develop effective telemedicine techniques. By using optoplasmonic biosensors, the biosignals (that show lung cancer) were extracted and correlated with cloud datasets (containing patient information) to determine the dose of laser interstitial thermal therapy (LITT). Then, applying quantum teleportation, the biosignals and doses of LITT were teleported between two healthcare stations. From the numerical result, we observed the maximum sensitivity (10 421 nm/RIU) of the proposed biosensor, a minimum degree of the loss function and maximum correlation of data from the quantum machine learning model, and high teleportation fidelity (96% transmission fidelity for biosignals and 98% teleportation fidelity for doses LITT). This shows the proposed telemedicine schemes anticipated solutions for the long-distance faithful lung cancer telemedicine.
Metronidazole is widely used as an antimicrobial, particularly effective against anaerobic bacteria and protozoan infections. This study investigates solvent polarity effects on the Fourier transform infrared (FTIR) spectrum, and thermodynamic and electronic properties of metronidazole via semiempirical, Hartree–Fock (HF), and density functional theory (DFT) methods. Its binding with antibacterial drugs was also investigated via molecular docking. The results showed that in water, the dipole moment and polarizability increased, indicating enhanced solubility and reactivity. Solvent-induced changes in bond lengths and angles are important for understanding the behavior of metronidazole in biological systems. FTIR reveals changes in molecular interactions due to solvation effects, especially hydrogen bonding in water. Thermodynamic calculations further revealed that polar solvents increase the energy and dipole moment, enhancing the reactivity of the molecule. Frontier molecular orbital (FMO) analysis indicated that the molecules are more stable in polar environments, while UV-Vis spectral shifts showed that the solvent affects the electronic properties. Molecular docking studies with antibacterial proteins revealed that metronidazole binds strongly to proteins, with the metronidazole-4kov complex showing the highest binding affinity. Molecular docking of metronidazole with secnidazole, tizoxanide, and caffeine enhances the binding affinities, suggesting synergistic effects. In conclusion, this study emphasizes the importance of solvent polarity for optimizing the antibacterial properties of metronidazole and its molecular docking with other drugs.
Nonrenewable fossil fuels constitute the main source of energy for energy consumption worldwide. Therefore, new technologies are needed to capture energy from alternate sources before fossil fuel runs out. In this work, we designed a nanostructured grating for selective emitters made of tungsten/molybdenum ground film with a hafnium dioxide spacer that is used for thermophotovoltaic energy conversion. To achieve high spectral efficiency, several geometric parameters, including the grating height, dielectric thickness, and incident angle, were optimized, while all the remaining parameters remained fixed. The numerical simulation demonstrated that the mean emittance of the emitter reached 94% for the W-AlN-W structure in the wavelength range of 0.3−2.2 μm at normal incidence and 93% for the Mo-AlN-Mo structure in the wavelength range of 0.3−2.0 μm at normal incidence. Moreover, the nanostructured grating emitters with InGaAs band gaps of 0.55 eV and 0.62 eV at 1600 K attained 87% and 87.5% spectral efficiency, respectively. Furthermore, the designed metamaterial emitter was polarization independent and exhibited good emissivity over a wide range of incidence angles, from 0° to 75°. Surface plasmon polaritons, magnetic polaritons, and intrinsic metals show significant absorption at the cutoff wavelength. High mean emittance, polarization independence, easy fabrication, cost effectiveness, high spectral efficiency, and thermal stability are considered the most desirable elements of this work.