Both traditional and novel techniques were employed in this work for magnetic shielding evaluation to shed new light on the magnetic and aromaticity properties of benzene and 12 [n]paracyclophanes with n = 3–14. Density functional theory (DFT) with the B3LYP functional and all-electron Jorge-ATZP and x2c-TZVPPall-s basis sets was utilized for geometry optimization and magnetic shielding calculations, respectively. Additionally, the 6-311+G(d,p) basis set was incorporated for the purpose of comparing the magnetic shielding results. In addition to traditional evaluations such as NICS/NICSzz-Scan, and 2D-3D σiso(r)/σzz(r) maps, two new techniques were implemented: bendable grids (BGs) and cylindrical grids (CGs) of ghost atoms (Bqs). BGs allow for the recording of magnetic shielding from the bent ring levels of [n]pCPs, while CGs provide tubular magnetic shielding scan (TMSS) maps detailing the magnetic shielding from a cylindrical region above and below the ring frame. Our findings suggest that smaller [n]pCPs with n < 6 exhibit deviations in the magnetic shielding above and below the ring, indicating a broken electron delocalization under the ring. In contrast, larger [n]pCPs tend to behave similarly to benzene in terms of magnetic shielding. Moreover, we found that shorter polymethylene chains of [n]pCPs exhibit significantly higher magnetic shielding interactions with the ring. Both of the above techniques offer new and promising tools for characterizing nonplanar aromatic compounds, thereby contributing to a deeper understanding of their magnetic and electronic properties.
This research is concerned to investigate the behavior of reinforced concrete (RC) deep beams strengthened with carbon fiber reinforced polymer (CFRP) strips. The experimental part of this research is carried out by testing seven RC deep beams having the same dimensions and steel reinforcement which have been divided into two groups according to the strengthening schemes. Group one was consisted of three deep beams strengthened with vertical U-wrapped CFRP strips. While, Group two was consisted of three deep beams strengthened with inclined CFRP strips oriented by 45o with the longitudinal axis of the beam. The remaining beam is kept unstrengthening as a reference beam. For each group, the variable considered
... Show MoreWe present a reliable algorithm for solving, homogeneous or inhomogeneous, nonlinear ordinary delay differential equations with initial conditions. The form of the solution is calculated as a series with easily computable components. Four examples are considered for the numerical illustrations of this method. The results reveal that the semi analytic iterative method (SAIM) is very effective, simple and very close to the exact solution demonstrate reliability and efficiency of this method for such problems.
Abstract The condition known as gestational diabetes mellitus (GDM) describes as an intolerance to glucoseThat first occur or progresses during pregnancy is the most common metabolic illness, and impacts up to25% of pregnant women. It has been demonstrated that omentin-1, which originates from both human placental and adipose tissue can serve as an insulin resistance mediator. It was initially identified as a secretory factor specific to visceral fat and showed that recombinant omentin-1 administration increased insulin-stimulated glucose transport in vitro which may increase insulin sensitivity, both glucose and insulin can down regulate omentin-1 which reduces levels in overweight women with polycys
... Show MoreThe evaluation of assignment problems for job suppliers is necessary to meet demands; therefore, academics in the operations research field and management factories have paid considerable attention to assignment problems. Notably, because the central point of classical assignment models with parameters assumes that supplier management oversees all inputs and outputs are fixed data, these types of models cannot provide exact and accurate data. Hence, specific inputs and/or outputs can be improper and ambiguous. Consequently, existing studies have explored various approaches to determine an optimal route that corresponds to assignments to suppliers when ambiguous values are involved. However, the computation of multiple routes for each assign
... Show MoreBreast cancer has become a common malignancy in most parts of the world. Vitex negundo has been used as a traditional remedy for many diseases. This study investigated the molecular mechanism of breast cancer prevention using breast cancer cell line MCF-7. In this study, an overview of the widely used Vitex negundo plant and its alcoholic, Gas chromatography mass spectrometry (GC-MS) was used to assess the extract, cell cycle assay and apoptosis by high content screening assay. in GC-MS. The biologically active phytochemical components of the alcoholic extract of the plant were examined. A GC MS study showed that 27 chemical substances were present. Analysis of the MCF-7 cell life cycle revealed that the plant's alcoholic extract stoppe
... Show MoreA reversed-phase HPLC method with fluorescence detection for the determination of the aflatoxins B1, B2, G1 and G2 in 42 animal feeds, comprising corn (16), soya bean meal (8), mixed meal (13), sunflower, wheat, canola, palm kernel, copra meals (1 each) was carried out. The samples were first extracted using acetonitrile:water (9:1), and was further cleaned-up using a multifunctional column. Optimum conditions for the extraction and chromatographic separation were investigated. By adopting an isocratic chromatographic system using a mobile phase comprising acetonitrile:methanol:water (8:27:65, v/v/v), the separation of the four aflatoxins was possible within 30 min. Recoveries for aflatoxins B1, B2, G1 and G2 were 98 ± 0.7%, 95 ± 1.0%, 94
... Show MoreIn this work, an inventive photovoltaic evaporative cooling (PV/EC) hybrid system was constructed and experimentally investigated. The PV/EC hybrid system has the prosperous advantage of producing electrical energy and cooling the PV panel besides providing cooled-humid air. Two cooling techniques were utilized: backside evaporative cooling (case #1) and combined backside evaporative cooling with a front-side water spray technique (case #2). The water spraying on the front side of the PV panel is intermittent to minimize water and power consumption depending on the PV panel temperature. In addition, two pad thicknesses of 5 cm and 10 cm were investigated at three different water flow rates of 1, 2, and 3 lpm. In Case #1,
... Show MoreSoftware Defined Networking (SDN) with centralized control provides a global view and achieves efficient network resources management. However, using centralized controllers has several limitations related to scalability and performance, especially with the exponential growth of 5G communication. This paper proposes a novel traffic scheduling algorithm to avoid congestion in the control plane. The Packet-In messages received from different 5G devices are classified into two classes: critical and non-critical 5G communication by adopting Dual-Spike Neural Networks (DSNN) classifier and implementing it on a Virtualized Network Function (VNF). Dual spikes identify each class to increase the reliability of the classification
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A sensitive, precise and reliable indirect spectrophotometric method for the determination of chlordiazepoxide (CDE) in pure and pharmaceutical dosage forms is described. The method is based on oxidative coupling reaction between amino group resulting from acidic decomposition of CDE with phenothiazine in the presence of sodium periodate to produce an intense green soluble dye that is stable and shows a maximum absorption at 602 nm. The calibration plot indicates that Beer’s law is obeyed over the concentration range of 0.1?50 µg/mL, with a molar absorptivity of 1×104 L/mol cm and correlation coefficient of 0.9994.All the conditions that affecting on the stability and sensitivity of the fo
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