Scopus Research — Basim Atiyah Khudhair Al-Qargholi

Zeolites are among the most popular porous solids for hydrogen storage. Hydrogen attaches to the surface and microporous structure of zeolites. The literature mainly inspected the hydrogen adsorption capacity of zeolites (HACZ) experimentally and paid little attention to its modeling. Furthermore, there is no tool to compare/reveal the role of surface and pore characteristics of zeolites in hydrogen storage. This work applies several well-established artificial intelligence techniques to correlate the HACZ to surface and pore characteristics of zeolites, pressure, and temperature. The topology-tuned multi-layer perceptron neural network is the best model to simulate the hydrogen storage of fourteen systems (NH4Y, X, and ZSM-5). This model predicts the HACZ of a vast experimental databank with a regression coefficient of 0.99875 and an absolute average relative deviation of 6.43%. Results approve that the role of the BET surface area of zeolites on the HACZ is more vital than the pore volume. © 2023 Elsevier Ltd

The single-flash geothermal cycle (SFGC) is not without its limitations, featuring drawbacks like diminished efficiency, restricted power generation capacity, and the incapability to yield multiple outputs concurrently. Furthermore, the SFGC requires a substantial water supply, potentially leading to adverse environmental consequences. In a concerted effort to enhance overall performance and facilitate the concurrent production of multiple valuable products, this study introduces a multigeneration system (MGS). By integrating additional subsystems into the SFGC framework, including a branched GAX cycle enabled by a thermoelectric generator (TEG), a domestic water heater (DWH), and a reverse osmosis unit, the objective is to surmount these limitations effectively. A thermodynamic and exergoeconomic analysis of the system is conducted and a bi-objective optimization is employed to minimize system cost and maximize exergy efficiency. The parametric study reveals that when degassing ranges are in the range of 0.2–0.37, the system product cost varies from $27.07/MWh to $28.44/MWh. In the optimized scenario there is a decrease of 67.7% in cooling provided by the system. This leads to an increase of 3.5% in generated electricity and a 3% increase in water purification compared to the base scenario. Through optimization the exergy efficiency of the system improves from 61.84% to 62.90% while the multigeneration gain output ratio (MGOR) decreases from 1.40 to 1.38. © 2023

This study aimed to determine of malachite green (MG) and auramine O (AO) dyes in different environmental water samples. For this purpose, MG and AO dyes were pre-concentrated by ultrasound-assisted dispersive solid-phase extraction (UA-DSPE) and measured by spectrophotometry. Magnesium ferrite (MgFO) was applied as a magnetic adsorbent in the UA-DSPE-UV/Vis method. The effect of different parameters on the dye extraction efficiency, including pH of the solution, sorbent mass, sample volume, ultrasound frequencies, irradiation time, and type and volume of eluent, were investigated. In addition, response surface methodology (RSM) approach-based central composite design (CCD) was used to design and optimize parameters affecting the process. Analysis of variance (ANOVA) results based on high F-values, low p-values, coefficient of determination (R2 > 0.99), and adjusted-R2 (R2adj > 0.99) revealed that the quadratic model was the best model for defining the interaction of the studied variables. The calibration curve, the limit of detection (LOD), and relative standard deviation (RSD, n = 5) for MG and AO dyes were 1–800 ng mL−1 and 3–1200 ng mL−1, 0.33 ng mL−1 and 1 ng mL−1, and 3.2% and 2.8%, respectively. The effect of some external species (including cations and anions) on the determination of MG and AO dye was investigated. The results revealed that adding different ions does not significantly interfere with determining MG and AO dyes. The reusability of the MgFO adsorbent showed that it could be reused for up to 7 cycles, maintaining its high efficiency in the extraction of MG and AO dyes. Moreover, the proposed method was used for the extraction of MG and AO dyes from different water samples. The obtained extraction efficiency was in the range of 95.37–99.54%. © 2023 Elsevier B.V.

Two-dimensional nanostructures have recently been of great interest to researchers in drug delivery applications. Researchers developed two-dimensional NC3 and BC3 flake layers. The present work evaluates the drug delivery potential of pristine graphene and these two flakes through density functional theory (DFT) PBE/6-311+G (2d, p) mainly to measure their interactions with favipiravir drug. The results demonstrated that the aqueous phase had greater negative adsorption energy values. This indicated that these two flakes could undergo solubility improvement and be modified in drug interaction within the solvent phase. Moreover, the ultraviolent-visible (UV–vis) spectra results revealed a blue shift in the electronic spectral of the complexes to lower wavelengths. To further understand the binding characteristics of these systems with favipiravir (FP), the present study used atoms-in-molecules (AIM) analysis. The electrostatic properties of the bonding of BC3 flake and FP were determined. Finally, the graphene-like BC3 flake was found to be capable of serving as a promising carrier to deliver the FP drug. © 2023 Elsevier B.V.

We explored the adsorption of carbonyl sulfide (COS) on a pristine and a Cu-doped graphene-like boron carbide nano-sheet (PBCNS and DBCNS) via density functional theory computations. When COS approached the BCNS, its adsorption released an energy of 6.8 to 7.5 kcal/mol, which demonstrates the weak nature of the adsorption. Furthermore, there was no appreciable alteration in the electronic characteristics of the nano-sheet. Cu-doping enhances the performance of the BCNS, improving it reactivity and sensitivity towards COS. The calculations demonstrated the adsorption of COS caused a reduction in the energy of the HOMO-LUMO gap of the DBCNS from 2.52 to 1.52 eV (∼-39.7%), suggesting a rise in the electrical conductance of the nano-sheet. Thus, DBCNS was capable of generating signals when the COS molecules approached, showing the promising nature of this nano-sheet as a sensor. The recovery time for DBCNS was 13.3 s, which was short. © 2023 Elsevier B.V.

Air pollution is known as one of the most important causes of death in the whole world. Therefore, pollution reduction to achieve clean air was noticed by everyone. This way, using nanotechnology to control air and monitor is a novel approach. This paper investigates the effect of the number of graphene nano-pores on the SiO2 separation from the H2O vapour in the presence of an external electric field with the magnitude of 0.01 V/Å using the molecular dynamics (MD) method. The electric field affects the charged particles and causes disturbance in the structure. It also prevents SiO2 nanoparticles from passing through the graphene nanosheet. Also, the presence of carbon nanosheets acts as a membrane and affects the diffusion of water in the nanostructure. So, the results show that in the presence of a nano-pore, the number of H2O molecules reaches to 496 and 568 in reservoirs 2 and 3. Also, the number of SiO2 nanoparticles reaches 10 and 4 in reservoirs 2 and 3. This shows that in reservoirs 2 and 3, about 80% and 60% of the SiO2 nanoparticles are separated. As mentioned before, the electric field prevents the passage of SiO2 nanoparticles through the graphene nanosheet. As the number of graphene nano-pores increases by 2, 3, 4, and 5, the number of passing water molecules increases. Considering that the number of graphene nano-pores has increased and the movement path of particles has increased, the number of passing particles almost increases. However, the electric field prevents the passage of SiO2 nanoparticles. According to the results, the suggested setup can be employed for designing highly efficient nanostructured membranes for air purification and monitoring. © 2022 Elsevier Ltd

The present study developed a DNA biosensor to determine pemigatinib for the first time. Three-dimensional carnation flower-like Eu3+:β-MnO2 nanostructures (3D CF-L Eu3+:β-MnO2 NSs) and a screen-printed electrode (SPE) modified with polyaniline (PA) were employed. The double-stranded DNA was also immobilized completely on the PA/3D CF-L Eu3+:β-MnO2 NSs/SPE. Then, electrochemical techniques were used for characterizing the modified electrode. After that, the interaction between pemigatinib and DNA was shown by a reduction in the oxidation current of guanine using differential pulse voltammetry (DPV). According to the analysis, the dynamic range of pemigatinib was between 0.001 and 180.0 μM, indicating the new electrode has a low limit of detection (LOD = 0.23 nM) for pemigatinib. Afterwards, pemigatinib in real samples was measured using the PA/3D CF-L Eu3+:β-MnO2 NSs/SPE loaded with ds-DNA. The proposed DNA biosensor showed good selectivity toward pemigatinib in the presence of other interference analytes, such as other ions, structurally related pharmaceuticals, and plasma proteins. In addition, the interaction site of pemigatinib with DNA was predicted by molecular docking, which showed the interaction of pemigatinib with the guanine bases of DNA through a groove binding mode. Finally, we employed the t-test to verify the capability of the ds-DNA/PA/3D CF-L Eu3+:β-MnO2 NSs/SPE for analyzing pemigatinib in real samples. © 2023 The Royal Society of Chemistry.

Novel Ta- MOF was synthesized under mild conditions by ultrasound irradiations. The sample was characterized by SEM, FTIR, XRD, XPS, TG and BET technique. The final structures showed high physicho-chemical properties including narrow particle size distribution, homogenous morphology, high thermal stability and remarkable surface area. Ta- MOF synthesized in this study was used as a catalyst in the synthesis of 1,4-dihydropyran derivatives. The results proved that it has a high catalyst capability. Its advantages include high recyclability, less reaction time with higher efficiency and synthesis of new1,4-dihydropyran derivatives. In the following, antimicrobial activity including antifungal and antibacterial activity of Ta- MOF nanoparticles based on Minimum Inhibitory Concentration, Minimum Fungicidal Concentration and Minimum Bactericidal Concentration were evaluated. The synthesized Ta- MOF, in addition to high catalytic properties, showed high antimicrobial activity with MIC value between 16 and −256 μg/ml, and can be introduced as an agent against bacteria and fungi. Copyright © 2022 Ahmad, Jasim, Yasin, Al-Qargholi and Hammid.

Metal organic frameworks (MOFs) are a promising choice for antibacterial and antifungal activity due to their composition, unique architecture, and larger surface area. Herein, the ultrasonic method was used to synthesize the Cu/Zn-MOF material as an effective hybrid nanostructure with ideal properties. SEM images were used to investigate the product’s morphology and particle size distribution. The XRD pattern revealed that the Cu/Zn hybrid MOF nanostructures had a smaller crystalline size distribution than pure Cu and Zn-MOF samples. Furthermore, the BET technique determined that the hybrid MOF nanostructures had a high specific surface area. TG analysis revealed that the hybrid MOF structures were more thermally stable than pure samples. The final product, with remarkable properties, was used as a new option in the field of antibacterial studies. Antibacterial activity was assessed using MIC and MBC against Gram negative and Gram positive strains, as well as antifungal activity using MIC and MFC. The antimicrobial properties of the synthesized Cu/Zn hybrid MOF nanostructures revealed that they were more effective than commercial drugs in some cases. This study’s protocol could be a new strategy for introducing new hybrid nanostructures with specific applications. Copyright © 2022 Abdieva, Patra, Al-Qargholi, Shahryari, Chauhan and Moghaddam-manesh.

In this study, we investigated the process of preconcentrate and determine trace amounts of Auramine O (AO) and methylene blue (MB) dyes in environmental water samples. For this purpose, the ultrasound-assisted dispersive-magnetic nanocomposites-solid-phase microextraction (UA-DMNSPME) method was performed to extract AO and MB from aqueous samples by applying magnesium oxide nanoparticles (MgO-NPs). The proposed technique is low-cost, facile, fast, and compatible with many existing instrumental methods. Parameters affecting the extraction of AO and MB were optimized using response surface methodology (RSM). Short extraction time, low experimental tests, low consumption of organic solvent, low limits of detection (LOD), and high preconcentration factor (PF) was the advantages of method. The PF was 44.5, and LOD for AO and MB was 0.33 ng mL−1 and 1.66 ng mL−1, respectively. The linear range of this method for AO and MB were 1–1000 ng mL−1 and 5–2000 ng mL−1, respectively. In addition, the relative standard deviation (RSD; n = 5) of the mentioned analytes was between 2.9% and 3.1%. The adsorption–desorption studies showed that the efficiency of adsorbent extraction had not declined significantly up to 6 recycling runs, and the adsorbent could be used several times. The interference studies revealed that the presence of different ions did not interfere substantially with the extraction and determination of AO and MB. Therefore, UA-DMNSPME-UV/Vis method can be proposed as an efficient method for preconcentration and extraction of AO and MB from water and wastewater samples. © 2022, The Author(s).

The paper presents the design and technological fabrication process of Yin or Yang-shaped, micron-sized electromechanical system (MEMS) elements displaying asymmetric hollow cylinders with two different curvatures of the cylinder shell. By adapting the process steps, two neighboring shutter MEMS elements can either be attached to each other to create asymmetric hollow cylinders or remain disconnected to form curled cylindrical or ellipsoidal tubes or tube fractions. A novel 3D self-organization process has been developed to connect two neighboring shutter elements, exploiting surface tension forces via a sequential drying process. The process conditions have been analyzed and optimized to fabricate the two different geometries of the MEMS elements. The resulting MEMS system elements were characterized by focused ion beam and scanning electron microscopy. The contribution of Casimir force, van der Waals force, and other physical interfacial forces are discussed in the formation of the asymmetric hollow cylinders. © 2022, The Author(s).

We proposed a model for adjusting Goos-Hänchen (GH) shifts in a cavity with quantum dot (QD) nanostructure in this letter. The actual component of the susceptibility was studied by analytical solution of the coherence term of the density matrix elements, and the refractive index of the QD nanostructure was explored. We discovered that the intracavity medium became phase sensitive because of the electron tunneling action. As a result, the relative phase of applied lights may be used to manipulate the medium's refraction index. The GH shifts in reflected and transmitted light beams in high refractive index QD nanostructures with diminishing probe absorption were next examined. We discovered that the GH shifts of reflected and transmitted lights are greatly influenced by the applied lights' relative phase. We established that greater negative or positive GH shifts in reflected and transmitted photons are conceivable in the presence of electron tunneling. © 2022 Astro Ltd.