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701.
Matin-Alsadat Mostaan Jamal Davoodi Hadi Alizadeh Mohsen Yarifard 《The European Physical Journal B - Condensed Matter and Complex Systems》2018,91(10):260
In this paper, we study the tensile behavior of cylindrical rutile TiO2 nanowires, employing molecular dynamics (MD) simulation technique. The third-generation charge optimized many-body (COMB3) has been used for interatomic potential modeling. The influence of temperature and nanowire diameter on Young’s modulus is investigated. Our simulations exhibit the anisotropic behavior of Young’s modulus as a function of diameter for different crystallographic orientations. Although our results are in good accord with the existing results in [1 0 0] direction, Young’s modulus adds up monotonically with increasing the cross-sectional diameter of nanowire in [0 0 1] direction. It is found that Young’s modulus of the nanowires are lower (higher) than the bulk value for [0 0 1] ([1 0 0]) direction. Furthermore, simulation results also indicate that Young’s modulus of rutile TiO2 nanowire increases as a function of temperature for a given diameter, unexpectedly. The obtained results may be useful in the field of nanotechnology for optimizing mechanical performance to gain specific applications. 相似文献
702.
The properties of low frequency (coupled acoustic and drift wave) nonlinear structures including solitary waves and double layers in an inhomogeneous magnetized electron–positron–ion (EPI) nonthermal plasma with density and temperature inhomogeneities are studied in a simplified way. The nonlinear differential equation derived here for the study of double layers in the inhomogeneous EPI plasma resembles with the modified KdV equation in the stationary frame. But the method used for the derivation of nonlinear differential equation is simple and consistent to give both the stationary solitary waves and double layers. Further, the illustrations show that superthermality κ, drift velocity and temperature inhomogeneity have significant effects on the amplitude, width, and existence range of the structures. 相似文献
703.
Liquid crystal thermography and pressure drop measurements have been carried out to study the heat transfer and frictional characteristics in a rectangular duct with solid ribs (C1), converging slit-ribs (C2), and alternate solid-slit ribs (C3) mounted transversely on the bottom wall, where C2 carries a continuous converging-slit in the flow direction. Effect of rib configurations, and rib pitch to height ratios (6, 8, 10, and 12) has been investigated at Re of 9400, 26160, 42500, and 58850. Results show that converging-slit considerably enhances the heat transfer rate in the downstream vicinity, and help in obviating the local hot spot formation.
Abbreviations: LCT: Liquid crystal thermography; HTC: Heat transfer coefficient; LHI: Laser holographic interferometry; NST: Naphthalene sublimation technique; IR: Infrared; TPF: Thermo-hydraulic performance; PIV: Particle image velocimetry. 相似文献
704.
Trina Ekawati Tallei Fatimawali Ahmad Akroman Adam Mona M. Elseehy Ahmed M. El-Shehawi Eman A. Mahmoud Adinda Dwi Tania Nurdjannah Jane Niode Diah Kusumawaty Souvia Rahimah Yunus Effendi Rinaldi Idroes Ismail Celik Md. Jamal Hossain Talha Bin Emran 《Molecules (Basel, Switzerland)》2022,27(1)
Before entering the cell, the SARS-CoV-2 spike glycoprotein receptor-binding domain (RBD) binds to the human angiotensin-converting enzyme 2 (hACE2) receptor. Hence, this RBD is a critical target for the development of antiviral agents. Recent studies have discovered that SARS-CoV-2 variants with mutations in the RBD have spread globally. The purpose of this in silico study was to determine the potential of a fruit bromelain-derived peptide. DYGAVNEVK. to inhibit the entry of various SARS-CoV-2 variants into human cells by targeting the hACE binding site within the RBD. Molecular docking analysis revealed that DYGAVNEVK interacts with several critical RBD binding residues responsible for the adhesion of the RBD to hACE2. Moreover, 100 ns MD simulations revealed stable interactions between DYGAVNEVK and RBD variants derived from the trajectory of root-mean-square deviation (RMSD), radius of gyration (Rg), and root-mean-square fluctuation (RMSF) analysis, as well as free binding energy calculations. Overall, our computational results indicate that DYGAVNEVK warrants further investigation as a candidate for preventing SARS-CoV-2 due to its interaction with the RBD of SARS-CoV-2 variants. 相似文献
705.
Antibacterial fibers have great potential in numerous applications, including bandages, surgical robes, and surgical sutures, and play a significant role in our everyday lives. Here, zeolitic imidazolate framework-67 was synthesized using a green method on silk fibers through a layer-by-layer process under ultrasonic irradiation (ZIF-67@silk [U]) and without ultrasonic irradiation (ZIF-67@silk [B]). Then, iodine was loaded on ZIF-67@silk samples and were assessed as antibacterial fibers with iodine release. Four samples of ZIF-67@silk and I2@ZIF-67@silk were characterized by FT-IR, PXRD, FE-SEM, TGA, BET, and UV–Vis spectroscopy. Finally, antibacterial activity of ZIF-67@silk (B and U) and I2@ZIF-67@silk (B and U) on Staphylococcus aureus as Gram-positive bacteria and Escherichia coli as Gram-negative bacteria was investigated. In addition to ZIF-67@silk samples, iodine-loaded samples showed excellent antimicrobial facility. 相似文献
706.
Aiza Azam Gulzar Muhammad Muhammad Shahbaz Aslam Muhammad Mudassir Iqbal Muhammad Arshad Raza Naeem Akhtar Muhammad Ajaz Hussain Noreen Sajjad Asad Syed Ali H. Bahkali Zahid Shafiq 《应用有机金属化学》2023,37(1):e6923
The multifunctional zinc oxide nanoparticles are synthesized using a cost-effective, efficient, eco-friendly, simple, and clean synthesis approach. Herein, we reported the antibacterial and wound healing potential of zinc oxide nanoparticles (ZnO-NPs) prepared using psyllium gel (PG) as the reducing and stabilizing agent. The PG-mediated zinc oxide nanoparticles (PG-ZnO-NPs) were characterized using UV–Vis, photoluminescence (PL), FTIR, XRD, Raman, and SEM. UV–Vis spectral studies confirmed the surface plasmonic resonance (SPR) band at 364 nm. PL results demonstrated the fluorescent or emission nature of PG-ZnO-NPs. FTIR analysis confirmed characteristic peaks at 873.82 and 619.88 cm−1 due to the tetrahedral coordination of zinc and the formation of the Zn-O bond. XRD and Raman confirm the formation of PG-ZnO-NPs, whereas SEM analysis revealed PG-ZnO-NPs are rod-shaped, having hexagonal prism-like bases, and EDX exhibited the elemental composition of PG-ZnO-NPs. The as-synthesized PG-ZnO-NPs possessed prominent microbicidal potential against gram-positive (Bacillus subtilis and Bacillus licheniformis) and gram-negative (Escherichia coli and Salmonella shigella) bacterial strains in terms of zone of inhibition (ZOI), minimum inhibitory concentration (MIC), and minimum bactericidal concentration (MBC). In vivo biological investigations with mice show that the synthesized PG-ZnO-NPs possess outstanding biocompatibility and wound healing potential. PG-ZnO-NPs dressing significantly speeds up full-thickness wound repair by triggering a decrease in MMP-1 and MMP-2 and escalating the mRNA levels of collagen types (I & III) and fibronectin. Thus, our work validates that the inclusion of PG-ZnO-NPs in dressing shows excellent potential for acute wound management. 相似文献
707.
708.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献