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71.
The electronic and magnetic properties for a single Fe atom chain wrapped in armchair (n,n) boron nitride nanotubes (BNNTs) (4≤n≤6) are investigated through the density functional theory. By increasing the nanotube diameter, the magnetic moments, total magnetic moments and spin polarization of systems are increased. We have calculated the majority and minority density of states (DOS) of armchair BNNT. Our results show that the magnetic moment of the system come mostly from the Fe atom chain. The magnetic moment on an Fe atom, the total magnetic moment and spin polarization decrease by increasing the axial separation of the Fe atom chain for the system. The BNNT can be used in the magnetic nanodevices because of higher magnetic moment and spin polarization. 相似文献
72.
Amal A. El-Naggar Sahar S. El Sayed Sayeda M. Ibrahim 《Russian Journal of Applied Chemistry》2017,90(2):277-283
Alkaline TiO2 nanoparticles treated cotton/polyester (50/50) blend fabric were prepared, and then exposed to UV irradiation. It was found that the addition of a small amount of TiO2 nanoparticles to the coating solution improves the hydrophilicity and mechanical strength of the fabrics. The treated fabrics exhibited high water absorption as well as better hydrophilicity compared to the untreated sample. Compared to the surface of untreated blend fabric, scanning electron microscopy showed that the surface of the modified blend fabric becomes rough and covered by a layer of other materials. Furthermore, X-ray diffraction demonstrated the formation of crystalline material. In addition, thermograms showed that the modification process improved the thermostability of blend fabric. 相似文献
73.
74.
This paper aims to develop a novel numerical approach on the basis of B-spline collocation method to approximate the solution of one-dimensional and two-dimensional nonlinear stochastic quadratic integral equations. The proposed approach is based on the hybrid of collocation method, cubic B-spline, and bi-cubic B-spline interpolation and Itô approximation. Using this method, the problem solving turns into a nonlinear system solution of equations that is solved by a suitable numerical method. Also, the convergence analysis of this numerical approach has been discussed. In the end, examples are given to test the accuracy and the implementation of the method. The results are compared with the results obtained by other methods to verify that this method is accurate and efficient. 相似文献
75.
Abeer D. Algarni Ghada El Banby Sahar Ismail Walid El-Shafai Fathi E. Abd El-Samie Naglaa F. Soliman 《Entropy (Basel, Switzerland)》2020,22(12)
The security of information is necessary for the success of any system. So, there is a need to have a robust mechanism to ensure the verification of any person before allowing him to access the stored data. So, for purposes of increasing the security level and privacy of users against attacks, cancelable biometrics can be utilized. The principal objective of cancelable biometrics is to generate new distorted biometric templates to be stored in biometric databases instead of the original ones. This paper presents effective methods based on different discrete transforms, such as Discrete Fourier Transform (DFT), Fractional Fourier Transform (FrFT), Discrete Cosine Transform (DCT), and Discrete Wavelet Transform (DWT), in addition to matrix rotation to generate cancelable biometric templates, in order to meet revocability and prevent the restoration of the original templates from the generated cancelable ones. Rotated versions of the images are generated in either spatial or transform domains and added together to eliminate the ability to recover the original biometric templates. The cancelability performance is evaluated and tested through extensive simulation results for all proposed methods on a different face and fingerprint datasets. Low Equal Error Rate (EER) values with high AROC values reflect the efficiency of the proposed methods, especially those dependent on DCT and DFrFT. Moreover, a comparative study is performed to evaluate the proposed method with all transformations to select the best one from the security perspective. Furthermore, a comparative analysis is carried out to test the performance of the proposed schemes with the existing schemes. The obtained outcomes reveal the efficiency of the proposed cancelable biometric schemes by introducing an average AROC of 0.998, EER of 0.0023, FAR of 0.008, and FRR of 0.003. 相似文献
76.
Dr. Iman Dindarloo Inaloo Dr. Mohsen Esmaeilpour Dr. Sahar Majnooni Dr. Ali Reza Oveisi 《ChemCatChem》2020,12(21):5486-5491
A simple and efficient domino reaction has been designed and employed for the one-pot synthesis of N-(hetero)aryl carbamates through the reaction between alcohols and in-situ produced (hetero)aryl isocyanates in the presence of a nickel catalyst. The phenolic C−O bond was activated via the reaction of phenol with cyanuric chloride (2,4,6-trichloro-1,3,5-triazine (TCT)) as an inexpensive and readily available reagent. This strategy provides practical access to N-(hetero)aryl carbamates in good yields with high functional groups compatibility. 相似文献
77.
Hussah Abdullah Alshwyeh Sahar Khamees Aldosary Muna Abdulsalam Ilowefah Raheem Shahzad Adeeb Shehzad Saqib Bilal In-Jung Lee Jannah Ahmed Al Mater Fatima Najf Al-Shakhoari Waad Abdulrahman Alqahtani Nurkhalida Kamal Ahmed Mediani 《Molecules (Basel, Switzerland)》2022,27(2)
Nigella species are widely used to cure various ailments. Their health benefits, particularly from the seed oils, could be attributed to the presence of a variety of bioactive components. Roasting is a critical process that has historically been used to facilitate oil extraction and enhance flavor; it may also alter the chemical composition and biological properties of the Nigella seed. The aim of this study was to investigate the effect of the roasting process on the composition of the bioactive components and the biological activities of Nigella arvensis and Nigella sativa seed extracts. Our preliminary study showed that seeds roasted at 50 °C exhibited potent antimicrobial activities; therefore, this temperature was selected for roasting Nigella seeds. For extraction, raw and roasted seed samples were macerated in methanol. The antimicrobial activities against Streptococcus agalactiae, Streptococcus epidermidis, Streptococcus pyogenes, Candida albicans, Escherichia coli, Enterobacter aerogenes, Klebsiella pneumoniae, and Klebsiella oxytoca were determined by measuring the diameter of the zone of inhibition. The cell viability of extracts was tested in a colon carcinoma cell line, HCT-116, by using a microculture tetrazolium technique (MTT) assay. Amino acids were extracted and quantified using an automatic amino acid analyzer. Then, gas chromatography–mass spectrometry (GC–MS) analysis was performed to identify the chemical constituents and fatty acids. As a result, the extracts of raw and roasted seeds in both Nigella species showed strong inhibition against Klebsiella oxytoca, and the raw seed extract of N. arvensis demonstrated moderate inhibition against S. pyogenes. The findings of the MTT assay indicated that all the extracts significantly decreased cancer cell viability. Moreover, N. sativa species possessed higher contents of the measured amino acids, except tyrosine, cystine, and methionine. The GC–MS analysis of extracts showed the presence of 22 and 13 compounds in raw and roasted N. arvensis, respectively, and 9 and 11 compounds in raw and roasted N. sativa, respectively. However, heat treatment decreased the detectable components to 13 compounds in roasted N. arvensis and increased them in roasted N. sativa. These findings indicate that N. arvensis and N. sativa could be potential sources of anticancer and antimicrobials, where the bioactive compounds play a pivotal role as functional components. 相似文献
78.
Pandurangan Subash-Babu Hussah Mohammed Alowaidh Laila Naif Al-Harbi Ghalia Shamlan Amal A. Aloud Sahar Abdulaziz AlSedairy Ali Abdullah Alshatwi 《Molecules (Basel, Switzerland)》2022,27(4)
Excessive storage of lipids in visceral or ectopic sites stimulates adipokine production, which attracts macrophages. This process determines the pro- and anti-inflammatory response regulation in adipose tissue during obesity-associated systemic inflammation. The present study aimed to identify the composition of Ocimum basilicum L. (basil) seed extract and to determine its bio-efficacy on adipocyte thermogenesis or fatty acid oxidation and inhibition of lipid accumulation and adipokine secretion. Ocimum basilicum L. seed methanol extract (BSME) was utilized to analyze the cytotoxicity vs. control; lipid accumulation assay (oil red O and Nile red staining), adipogenesis and mitochondrial-thermogenesis-related gene expression vs. vehicle control were analyzed by PCR assay. In addition, vehicle control and BSME-treated adipocytes condition media were collected and treated with lipopolysaccharide (LPS)-induced macrophage to identify the macrophage polarization. The results shown that the active components present in BSME did not produce significant cytotoxicity in preadipocytes or macrophages in the MTT assay. Furthermore, oil red O and Nile red staining assay confirmed that 80 and 160 μg/dL concentrations of BSME effectively arrested lipid accumulation and inhibited adipocyte maturation, when compared with tea polyphenols. Gene expression level of adipocyte hyperplasia (CEBPα, PPARγ) and lipogenesis (LPL)-related genes have been significantly (p ≤ 0.05) downregulated, and mitochondrial-thermogenesis-associated genes (PPARγc1α, UCP-1, prdm16) have been significantly (p ≤ 0.001) upregulated. The BSME-treated, maturing, adipocyte-secreted proteins were detected with a decreased protein level of leptin, TNF-α, IL-6 and STAT-6, which are associated with insulin resistance and macrophage recruitment. The “LPS-stimulated macrophage” treated with “BSME-treated adipocytes condition media”, shown with significant (p ≤ 0.001) decrease in metabolic-inflammation-related proteins—such as PGE-2, MCP-1, TNF-α and NF-κB—were majorly associated with the development of foam cell formation and progression of atherosclerotic lesion. The present findings concluded that the availability of active principles in basil seed effectively inhibit adipocyte hypertrophy, macrophage polarization, and the inflammation associated with insulin resistance and thrombosis development. Ocimum basilicum L. seed may be useful as a dietary supplement to enhance fatty acid oxidation, which aids in overcoming metabolic complications. 相似文献
79.
Rasha Saad Suliman Sahar Saleh Alghamdi Rizwan Ali Ishrat Rahman Tariq Alqahtani Ibrahim K. Frah Dimah A. Aljatli Sarah Huwaizi Shatha Algheribe Zeyad Alehaideb Imadul Islam 《Molecules (Basel, Switzerland)》2022,27(8)
Electron-rich, nitrogenous heteroaromatic compounds interact more with biological/cellular components than their non-nitrogenous counterparts. The strong intermolecular interactions with proteins, enzymes, and receptors confer significant biological and therapeutic properties to the imidazole derivatives, giving rise to a well-known and extensively used range of therapeutic drugs used for infections, inflammation, and cancer, to name a few. The current study investigates the anti-cancer properties of fourteen previously synthesized nitrogenous heterocycles, derivatives of imidazole and oxazolone, on a panel of cancer cell lines and, in addition, predicts the molecular interactions, pharmacokinetic and safety profiles of these compounds. Method: The MTT and CellTiter-Glo® assays were used to screen the imidazole and oxazolone derivatives on six cancer cell lines: HL60, MDA-MB-321, KAIMRC1, KMIRC2, MCF-10A, and HCT8. Subsequently, in vitro tubulin staining and imaging were performed, and the level of apoptosis was measured using the Promega ApoTox-Glo® triplex assay. Furthermore, several computational tools were utilized to investigate the pharmacokinetics and safety profile, including PASS Online, SEA Search, the QikProp tool, SwissADME, ProTox-II, and an in silico molecular docking study on tubulin to identify the critical molecular interactions. Results: In vitro analysis identified compounds 8 and 9 to possess the most significant potent cytotoxic activity on the HL60 and MDA-MB-231 cell lines, supported by PASS Online anti-cancer predictions with pa scores of 0.413 and 0.434, respectively. In addition, compound 9 induced caspase 3/7 dependent-apoptosis and interfered with tubulin polymerization in the MDA-MB-231 cell line, consistent with in silico docking results, identifying binding similarity to the native ligand colchicine. All the derivatives, including compounds 8 and 9, had acceptable pharmacokinetics; however, the safety profile was suboptimal for all the tested derivates except compound 4. Conclusion: The imidazole derivative compound 9 is a promising anti-cancer agent that switches on caspase-dependent apoptotic cell death and modulates microtubule function. Therefore, it could be a lead compound for further drug optimization and development. 相似文献
80.
Farshid Mirzaee Sahar Alipour 《Numerical Methods for Partial Differential Equations》2019,35(3):1134-1151
In this paper, an effective numerical approach based on a new two‐dimensional hybrid of parabolic and block‐pulse functions (2D‐PBPFs) is presented for solving nonlinear partial quadratic integro‐differential equations of fractional order. Our approach is based on 2D‐PBPFs operational matrix method together with the fractional integral operator, described in the Riemann–Liouville sense. The main characteristic behind this approach is to reduce such problems to those of solving systems of algebraic equations, which greatly simplifies the problem. By using Newton's iterative method, this system is solved, and the solution of fractional nonlinear partial quadratic integro‐differential equations is achieved. Convergence analysis and an error estimate associated with the proposed method is obtained, and it is proved that the numerical convergence order of the suggested numerical method is O(h3) . The validity and applicability of the method are demonstrated by solving three numerical examples. Numerical examples are presented in the form of tables and graphs to make comparisons with the exact solutions much easier. 相似文献