Tuning the mechanical properties of silicene nanosheet by auxiliary cracks: a molecular dynamics study

Silicene has become a topic of interest nowadays due to its potential application in various electro-mechanical nanodevices. In our previous work on silicene, fracture stresses of single crystal and polycrystalline silicene have been investigated. Existence of defects in the form of cracks reduces the fracture strength of silicene nanosheets to a great extent. In this study, an engineering way has been proposed for improving the fracture stress of silicene nanosheets with a pre-existing crack by incorporating auxiliary cracks symmetrically in a direction perpendicular to the main crack. We call this mechanism the “Failure shielding mechanism”. An extensive molecular dynamics simulation based analysis has been performed to capture the atomic level auxiliary crack-main crack interactions. It is found that the main crack tip stress distribution is significantly changed with the presence of auxiliary cracks for loading along both armchair and zigzag directions. The effects of temperature and the crack propagation speed of silicene have also been studied. Interestingly, in the case of loading along the zigzag direction, SW defect formation is observed at the tip of main crack. This leads to a reduction of the tip stress resulting in a more prominent failure shielding in case of zigzag loading than in armchair loading. Moreover, the position and length of the cracks as well as the loading directions have significant impacts on the tip stress distribution. Finally, this study opens the possibilities of strain engineering for silicene by proposing an engineering way to tailor the fracture strength of silicene.

Inclusion of auxiliary cracks increases the fracture stress of silicene nanosheets with a pre existing crack.     

Adsorption of methylene blue and tetracycline onto biomass-based material prepared by sulfuric acid reflux

The adsorptive removal of environmental pollutants is an effective method for the treatment of contaminated water. Thus, the preparation of adsorbents from low-cost, readily available, and renewable resources has garnered immense attention in recent years. In this study, a facile one-step method for the preparation of a high-capacity adsorbent is demonstrated by refluxing pine cones in concentrated sulfuric acid. With sulfuric acid reflux, the pine cones undergone carbonization as well as functionalization with sulfonic acid groups. The adsorbent demonstrated high adsorption capacity for two emerging organic pollutants, methylene blue (MB) and tetracycline (TC). Different variables such as pH, temperature, contact time, and initial concentration of the pollutants were analyzed and showed that the adsorption capacity for MB increased in a basic pH and vice versa for TC. Also, the elevated temperature favored the adsorption for both MB and TC. The maximum adsorption capacity was found to be 1666.66, and 357.14 mg g⁻¹ for MB and TC, respectively. In comparison to the pristine pine cone, the sulfuric acid treated pine cone demonstrated an extraordinary improvement in the adsorption capacity. The adsorption of MB and TC was performed from the tap water matrix and similar adsorption capacities were found. A packed glass column was also prepared to demonstrate the adsorption of MB from tap water under flow conditions.

Facile conversion of pine cones into a high-capacity adsorbent for the removal of methylene blue and tetracycline from water.     

Effect of metal doping on the visible light absorption,electronic structure and mechanical properties of non-toxic metal halide CsGeCl3

Non-toxic metal halide perovskites have become forefront for commercialization of the perovskite solar cells and optoelectronic devices. In the present study, for the first time we show that particular metal doping in CsGeCl₃ halide can considerably enhance the absorbance both in the visible and ultraviolet light energy range. We have carried out DFT based first principles calculations on Mn-doped and Ni-doped CsGeCl₃ halide. We investigate the detailed structural, optical, electronic and mechanical properties of all the doped compositions theoretically. The study of the optical properties shows that the absorption edge of both Ni and Mn-doped CsGeCl₃ is shifted toward the low energy region (red shift) relative to the pristine one. An additional peak is observed for both doped profiles in the visible light energy region. The study of the mechanical properties demonstrates that both the doped samples are mechanically stable and ductile as the pristine CsGeCl₃. The study of the electronic properties shows that the excitation of photoelectrons is easier due to the formation of intermediate states in Mn-doped CsGeCl₃. As a result Mn-doped CsGeCl₃ exhibits higher absorptivity in the visible region than the Ni-doped counterpart. A combinational analysis indicates that CsGe_1−xMn_xCl₃ is the best lead free candidate among the inorganic perovskite materials for solar cell and optoelectronic applications.

We have studied the optical, electronic and mechanical properties of Ni and Mn-doped CsGeCl₃ using DFT calculations.     

Evaluation of residual stress and texture in isotope based Mg11B2 superconductor using neutron diffraction

Magnesium diboride (MgB₂) superconducting wires have demonstrated commercial potential to replace niobium–titanium (NbTi) in terms of comparable critical current density. Its higher critical temperature makes MgB₂ wire suitable for liquid-helium-free operation. We recently reported boron-11 isotope-based low-activation Mg¹¹B₂ superconducting wire with decent critical current density appropriate for low-cost superconducting fusion magnets. In this study, we have mainly focused on the neutron diffraction technique to measure the residual stress in Mg¹¹B₂ superconducting wire for the first time. The residual stress state was given qualitative and quantitative interpretation in terms of micro- and macrostress generation mechanisms based on the isotropic model confirmed by neutron texture measurements. The relationship between the stress/strain state in the wire and the transport critical current density is also discussed. This investigation could pave the way to further enhancement of the critical current density of low-activation Mg¹¹B₂ superconducting wires suitable for next-generation fusion grade magnets.

Magnesium diboride (MgB₂) superconducting wires have demonstrated commercial potential to replace niobium–titanium (NbTi) in terms of comparable critical current density.     

Diabetes mellitus,metabolic syndrome,and physical activity among Ethiopians: A systematic review

Background and aimsThe incidence of diabetes mellitus (DM) is increasing worldwide, and there is growing appreciation for the impact of limited physical activity on the disease. This study aimed to determine whether the current research on DM in Ethiopia has sufficiently identified and focused on the importance of limited physical activity according to the Global Physical Activity Questionnaire (GPAQ) in the disease etiology.MethodsThis was a systematic review, performed according to the PRISMA checklist. We searched primary studies of diabetes, diabetes-related complications, determinants, and magnitude of related morbidities in Ethiopia in PubMed, Medline, and ISI Web of Science databases. Reviews, editorial communications, reports, and letters were excluded.ResultsAmong 363 articles that were identified from all databases, 28 were included. It was found that 39% of the studies measured and included limited physical activity as a predisposing lifestyle factor in diabetes, while 17.86% either did not report or did not include this variable at all. Although 42.86% of the studies identified limited physical activity as an etiological factor in diabetes, it was not measured according to the GPAQ guidelines.ConclusionsThese data suggest that Ethiopian researchers do not give sufficient attention to the role of physical activity and its definition per GPAQ as a preventative factor for reducing the severity of diabetes symptoms. We suggest that physical activity research and promotion should be advocated in Ethiopia, and that researchers should seek advice on how to re-frame their work in the future.     

Dentin Phosphophoryn-Derived Peptide Promotes Odontoblast Differentiation In Vitro and Dentin Regeneration In Vivo

The purpose of the present study was to investigate the effect of a peptide (i.e., SESDNNSSSRGDASYNSDES) derived from dentin phosphophoryn (DPP) with arginine-glycine-aspartic acid (RGD) motifs on odontoblast differentiation in vitro and to compare it with calcium hydroxide—a material used conventionally for vital pulp therapy—in terms of reparative dentin formation and pulp inflammation in vivo. Alkaline phosphatase activity assay and alizarin red S staining were performed to evaluate odontoblast-differentiation in cell culturing experiments. To observe the reparative dentin formation and pulp inflammation animal experiment was performed and examined by histological methods. The difference between the experimental group and the control group was analyzed statistically using a one-way ANOVA test. The results revealed that the DPP-derived RGD-containing peptide triggered odontoblast differentiation and mineralization in vitro. In rats undergoing direct pulp capping, the DPP-derived RGD-containing peptide was found to induce intensively formed reparative dentin with high compactness at week 4. On histological and morphometrical examinations, a smaller degree of pulpitis was observed in the specimens treated with the peptide than in those treated with calcium hydroxide. This study suggests that the DPP-derived RGD-containing peptide is a biocompatible, biodegradable and bioactive material for dentin regeneration.     

Carry-over of host nutrients during sampling enhances undesired growth of Staphylococcus aureus in liquid Amies transport medium

Optimal transportation of bacteria is important for accurate clinical interpretation, quantitative assays, and microbiome studies. A transport medium should ideally keep the bacteria alive without supporting growth or altering the relative proportions of the constituent species. We investigated the effect of nasal mucus and mucin on the growth and survival of two Staphylococcus aureus strains in liquid Amies transport medium at room temperature and 4?°C for 14?days. The study showed that the presence of nasal mucus in microbiological samples stimulated undesired S. aureus growth at room temperature in a dose-dependent manner. These findings underscore that microbiological samples from humans and animals should be stored at 4?°C until analysis to avoid undesired S. aureus growth.     

Diversity of carbapenemases in clinical isolates: The emergence of blaVIM-5 in Bangladesh

Global emergence and dissemination of carbapenemases are clinically threatening, notably in countries with endemic bla_NDM. To analyze the extent of carbapenemases in Bangladesh, 71 isolates were collected from 7 different clinical sources: wound swab (n = 38), pus (n = 13), urine (n = 9), blood (n = 4), tracheal aspirate (n = 3), pleural fluid (n = 1) and vaginal swab (n = 3) from Dhaka Medical College Hospital, Bangladesh. Among the isolates, 25 were resistant to at least one of the three carbapenems (imipenem, meropenem and doripenem), including 15 being resistant to all. These resistant isolates were identified as Pseudomonas aeruginosa, Acinetobacter baumannii, Klebsiella pneumoniae, P. hibiscicola, Proteus mirabilis, Providencia stuartii and Citrobacter sedlakii. Carbapenemase detection among these 25 isolates varied in individual phenotypic assays (83% in Modified Hodge Test, 50% in Combined Disk Test for Metallo-β-lactamase prediction) as compared with the genotypes observed (96% prevalence of various carbapenemases including bla_OXA-1,48, bla_NDM-1,5, bla_VIM-2,5). bla_OXA-48 was the most prevalent gene (84%) followed by bla_NDM (72%). Coexistence of multiple gene combination such as bla_NDM+bla_OXA-48+bla_OXA-1 was prevalent (48%). Harborage of bla_VIM-5 (n = 1) was characterized for the first time, while bla_NDM-5 (n = 5) was reported contemporarily with a recent study in Bangladesh. Presence of plasmids (64%) and integron class 1 (100%) signifies the transferable potential of resistant traits. The emergence of such new variants along with the presence of the mobile genetic elements demands strict surveillance and combating strategies.