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1.
J Mol Graph Model ; 129: 108729, 2024 06.
Article in English | MEDLINE | ID: mdl-38479238

ABSTRACT

The recent discovery of superconductivity behavior in the mother BiS2-layered compounds has captivated the attention of several physicists. The crystal structure of superconductors with alternate layers of BiS2 is homologous to that of cuprates and Fe-based superconductors. The full-potential linearized augmented plane-wave (FP-LAPW) technique was utilized to investigate the electronic structures and density of states in the vicinity of the Fermi energy of SrFBiS2 and BaFBiS2 compounds under the electron carriers doping. The introduction of electron doping (carries doping) reveals that the host compounds SrFBiS2 and BaFBiS2 exhibit features indicative of superconductivity. This carrier doping of SrFBiS2 and BaFBiS2 compounds (electron-doped) has a significant impact on the lowest conduction states near the Fermi level for the emergence of the superconducting aspect. The electron doping modifies and induces changes in the electronic structures with superconducting behavior in (Ae)1.7FBiS2(Ae=Sr,Ba) compounds. A Fermi surface nesting occurred under the modification of electrons (carriers) doping in the host compounds SrFBiS2 and BaFBiS2. Furthermore, the optical characteristics of the carrier-doped SrFBiS2 and BaFBiS2 compounds are simulated. Due to the anisotropic behavior, the optical properties of these materials based on BiS2 demonstrate a pronounced polarization dependency. The starting point at zero photon energy in the infrared region is elucidated by considering the Drude features in the optical conductivity spectra of SrFBiS2 and BaFBiS2 compounds, when the electron carriers doping is applied. It was clearly noticed that the spin-orbit coupling (SOC) influences the electronic band structures, density of states, Femi surface, and optical features because of the heavy Bismuth atom, which may disclose fascinating aspects. Further, we conducted simulations to assess the thermoelectric properties of these mother compounds. The two BiS2-layered compounds could be suitable for practical thermoelectric purposes and are highlighted through assessment of electrical conductivity, thermal conductivity, Seebeck coefficient, and power factor. As a result, we propose that the mechanisms of superconducting behavior in BiS2 family may pave new avenues for investigating the field of unconventional superconductivity. It may also provide new insights into the origin of high-Tc superconductivity nature.


Subject(s)
Bismuth , Electronics , Electric Conductivity , Anisotropy , Electrons
2.
Gels ; 9(11)2023 Nov 02.
Article in English | MEDLINE | ID: mdl-37998963

ABSTRACT

Chromium (Cr)-doped cobalt ferrite nanoparticles were synthesized using a sol-gel autocombustion method, with the chemical formula CoCrxFe2xO4. The value of x ranged from 0.00 to 0.5 in 0.1 increments. X-ray diffraction analysis confirmed the development of highly crystalline cubic spinel structures for all samples, with an average crystallite size of approximately 40 to 45 nm determined using the Scherrer equation. Pellets were prepared using a traditional ceramic method. The magnetic and magnetostrictive properties of the samples were tested using strain gauge and VSM (vibrating sample magnetometer) techniques. The results of the magnetic and magnetostrictive tests showed that the chromium-substituted cobalt ferrites exhibited higher strain derivative magnitudes than pure cobalt ferrite. These findings indicated that the introduction of chromium into the cobalt ferrite structure led to changes in the material's magnetic properties. These changes were attributed to anisotropic contributions, resulting from an increased presence of Co2+ ions at B-sites due to the chromium substitutions. In summary, this study concluded that introducing chromium into the cobalt ferrite structure caused alterations in the material's magnetic properties, which were explained by changes in the cationic arrangement within the crystal lattice. This study successfully explained these alterations using magnetization and coercivity data and the probable cationic dispersion.

3.
Micromachines (Basel) ; 14(10)2023 Oct 21.
Article in English | MEDLINE | ID: mdl-37893400

ABSTRACT

The development of sensor technology enables the creation of DNA-based biosensors for biomedical applications. Herein, a quartz tuning fork (QTF) sensing system was employed as a transducer for biomedical applications to address indirect DNA damage associated with gold nanoparticles (GNPs) and enhance the effectiveness of low-dose gamma radiation in radiation therapy. The experiment included two stages, namely during and after irradiation exposure; shift frequencies (Δf) were measured for 20 min in each stage. During the irradiation stage, the QTF response to DNA damage was investigated in a deionized aqueous solution with and without 100 nm GNPs at different concentrations (5, 10, 15, and 20 µg/mL). Upon exposure to gamma radiation for 20 min at a dose rate of 2.4 µGy/min, the ratio of Δf/ΔT indicates increased fork displacement frequencies with or without GNPs. Additionally, DNA damage associated with high and low GNP concentrations was evaluated using the change in the resonance frequency of the QTF. The results indicate that GNPs at 15 and 10 µg/mL were associated with high damage-enhancement ratios, while saturation occurred at 20 µg/mL. At 15 µg/mL, significant radiotherapy enhancement occurred compared to that at 10 µg/mL at 10 min after exposure. In the post-irradiation stage, the frequency considerably differed between 15 and 10 µg/mL. Finally, these results significantly depart from the experimental predictions in the post-radiation stage. They exhibited no appreciable direct effect on DNA repair owing to the absence of an environment that promotes DNA repair following irradiation. However, these findings demonstrate the potential of enhancing damage by combining GNP-mediated radiation sensitization and biosensor technology. Thus, QTF is recommended as a reliable measure of DNA damage to investigate the dose enhancement effect at various GNP concentrations.

4.
Sens Imaging ; 24(1): 10, 2023.
Article in English | MEDLINE | ID: mdl-36908332

ABSTRACT

Humans are fundamentally interested in monitoring and understanding interactions that occur in and around our bodies. Biological interactions within the body determine our physical condition and can be used to improve medical treatments and develop new drugs. Daily life involves contact with numerous chemicals, ranging from household elements, naturally occurring scents from common plants and animals, and industrial agents. Many chemicals cause adverse health and environmental effects and require regulation to prevent pollution. Chemical detection is critically important for food and environmental quality control efforts, medical diagnostics, and detection of explosives. Thus, sensitive devices are needed for detecting and discriminating chemical and biological samples. Compared to other sensing devices, the Quartz Crystal Microbalance (QCM) is well-established and has been considered and sufficiently sensitive for detecting molecules, chemicals, polymers, and biological assemblies. Due to its simplicity and low cost, the QCM sensor has potential applications in analytical chemistry, surface chemistry, biochemistry, environmental science, and other disciplines. QCM detection measures resonate frequency changes generated by the quartz crystal sensor when covered with a thin film or liquid. The quartz crystal is sandwiched between two metal (typically gold) electrodes. Functionalizing the electrode's surface further enhances frequency change detection through to interactions between the sensor and the targeted material. These sensors are sensitive to high frequencies and can recognize ultrasmall masses. This review will cover advancements in QCM sensor technologies, highlighting in-sensor and real-time analysis. QCM-based sensor function is dictated by the coating material. We present various high-sensitivity coating techniques that use this novel sensor design. Then, we briefly review available measurement parameters and technological interventions that will inform future QCM research. Lastly, we examine QCM's theory and application to enhance our understanding of relevant electrical components and concepts.

5.
Molecules ; 27(16)2022 Aug 19.
Article in English | MEDLINE | ID: mdl-36014528

ABSTRACT

Gold nanoparticles (GNPs) are used in proton therapy radio-sensitizers to help increase the dose of radiation to targeted tumors by the emission of secondary electrons. Thus, this study aimed to investigate the link between secondary electron yields produced from a nanoshell of GNPs and dose absorption according to the distance from the center of the nanoparticles by using a Monte Carlo model. Microscopic evaluation was performed by modeling the interactions of secondary electrons in a phase-space file (PSF), where the number of emitted electrons was calculated within a spherical GNP of 15 nm along with the absorbed dose near it. Then, the Geant4-DNA physics list was used to facilitate the tracking of low-energy electrons down to an energy below 50 eV in water. The results show a remarkable change in the number of secondary electrons, which can be compared at concentrations less than and greater than 5 mg/mL, with increased secondary electron production exhibited around NPs within a distance of 10-100 nm from the surface of all nanospheres. It was found that there was a steep dose enhancement drop-off up to a factor of dose enhancement factor (DFE) ≤ 1 within a short distance of 100 nm from the surface of the GNPs, which revealed that the dose enhancement existed locally at nanometer distances from the GNPs. Overall, our results indicate that the physical interactions of protons with GNP clusters should not be considered as being directly responsible for the radio-sensitization effect, but should be regarded as playing a major role in NP properties and concentrations, which has a subsequent impact on local dose enhancement.


Subject(s)
Gold , Metal Nanoparticles , Electrons , Monte Carlo Method , Protons
6.
Materials (Basel) ; 14(22)2021 Nov 19.
Article in English | MEDLINE | ID: mdl-34832435

ABSTRACT

This study generally relates to nuclear sensors and specifically to detecting nuclear and electromagnetic radiation using an ultrasensitive quartz tuning fork (QTF) sensor. We aim to detect low doses of gamma radiation with fast response time using QTF. Three different types of QTFs (uncoated and gold coated) were used in this study in order to investigate their sensitivity to gamma radiations. Our results show that a thick gold coating on QTF can enhance the quality factor and increase the resonance frequency from 32.7 to 32.9 kHz as compared to uncoated QTF. The results also show that increasing the surface area of the gold coating on the QTF can significantly enhance the sensitivity of the QTF to radiation. We investigated the properties of gold-coated and uncoated QTFs before and after irradiation by scanning electron microscopy. We further investigated the optical properties of SiO2 wafers (quartz) by spectroscopic ellipsometry (SE). The SE studies revealed that even a small change in the microstructure of the material caused by gamma radiation would have an impact on mechanical properties of QTF, resulting in a shift in resonance frequency. Overall, the results of the experiments demonstrated the feasibility of using QTF sensors as an easy to use, low-cost, and sensitive radiation detector.

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