Electronic,mechanical, optical and photocatalytic properties of two-dimensional Janus XGaInY (X,Y ;= S,Se and Te) monolayers

Janus monolayers with breaking out-of-plane structural symmetries and spontaneous electric polarizations offer new possibilities in the field of two-dimensional materials. Due to the depletion of fossil fuels and serious environmental problems, there has been a growing interest in the conversion of water and solar energy into H₂ fuels in recent years. In this research, Janus XGaInY (X, Y = S, Se and Te) monolayers are predicted as promising solar-water-splitting photocatalysts. Based on first-principles calculations, the electronic, mechanical, optical and photocatalytic properties of Janus XGaInY (X, Y = S, Se and Te) monolayers are investigated. These Janus monolayers are structurally stable semiconductors with indirect bandgaps, except for SGaInSe, SGaInTe, TeGaInS and SeGaInTe. Their energy bandgaps extend from 0.74 to 2.66 eV at a hybrid density functional level, which is crucial for broadband photoresponses. Moreover, these Janus monolayers not only show strong light absorption coefficients greater than 10⁴ cm⁻¹ in the visible and ultraviolet regions but possess suitable band edge positions for water splitting. Our findings reveal that these Janus monolayers have a potential for application in the fields of optoelectronic and photocatalysis.

Janus monolayers with breaking out-of-plane structural symmetries and spontaneous electric polarizations offer new possibilities in the field of two-dimensional materials.     

Investigation of the biological activity,mechanical properties and wound healing application of a novel scaffold based on lignin–agarose hydrogel and silk fibroin embedded zinc chromite nanoparticles

Given the important aspects of wound healing approaches, in this work, an innovative biocompatible nanobiocomposite scaffold was designed and prepared based on cross-linked lignin–agarose hydrogel, extracted silk fibroin solution, and zinc chromite (ZnCr₂O₄) nanoparticles. Considering the cell viability technique, red blood cell hemolysis in addition to anti-biofilm assays, it was determined that after three days, the toxicity of the cross-linked lignin–agarose/SF/ZnCr₂O₄ nanobiocomposite was less than 13%. Moreover, the small hemolytic effect (1.67%) and high level of prevention in forming a P. aeruginosa biofilm with low OD value (0.18) showed signs of considerable hemocompatibility and antibacterial activity. Besides, according to an in vivo assay study, the wounds of mice treated with the cross-linked lignin–agarose/SF/ZnCr₂O₄ nanobiocomposite scaffold were almost completely healed in five days. Aside from these biological tests, the structural features were evaluated by FT-IR, EDX, FE-SEM, and TG analyses, as well as swelling ratio, rheological, and compressive mechanical study tests. Additionally, it was concluded that adding silk fibroin and ZnCr₂O₄ nanoparticles could enhance the mechanical tensile properties of cross-linked lignin–agarose hydrogel, and also an elastic network was characterized for this designed nanobiocomposite.

Given the important aspects of wound healing approaches, in this work, an innovative biocompatible nanobiocomposite scaffold was designed and prepared based on cross-linked lignin–agarose hydrogel, extracted silk fibroin solution, and zinc chromite (ZnCr₂O₄) nanoparticles.     

Coal fly ash driven zeolites for the adsorptive removal of the ceftazidime drug

The overall cost and efficiency of an adsorbent material is a major issue in deriving a sorbent into commercial markets. In this study, efforts have been directed to produce adsorption-capable zeolites from the dispensable product of coal power plants, i.e., coal fly ash (CFA). In addition, coal mining water (CW) was used as a direct hydrothermal solvent. The mine water from China''s coal mines was used in this experiment to substitute tap water (TP) for synthesizing zeolite from C-type fly ashes with different crystallization temperatures (45 to 95 °C). Here, CW led to the formation of X-type and A-type zeolites of comparable size. Regarding the proper utilization of waste products, i.e., coal fly ash and mine water, the study paves a simple yet extremely cost-effective approach to synthesize workable zeolitic materials for adsorption purposes. The detailed characterization justified the use of CW as a better solvent than TP to prepare zeolites based on their better granular size and fewer carbon impurities. The prepared zeolites were later used as an adsorbent for the trace removal of ceftazidime (CAZ), taken as a model pharmaceutical pollutant. The zeolites prepared using CW realised a higher adsorption capacity of 80 mg g⁻¹ during 20 min of agitation time. The pH, concentration, and external salt effects were also studied to achieve maximum removal efficiency. In general, the proposed approach enables the production of affordable yet efficient zeolite-based adsorbent materials without consuming any toxic and expensive reagents for practical application in environmental remediations.

Diagram showing a systematic approach to preparing zeolites using the hydrothermal approach with the coal mine water and tap water as dissolution solvents.     

Toxicity of Nd2WO6 nanoparticles to the microalga Dunaliella salina: synthesis of nanoparticles and investigation of their impact on microalgae

The presence of nanoparticles in the environment and their impact on existing organisms is one of the main concerns of researchers working in this field. In this research, Nd₂WO₆ nanoparticles were prepared by an ultrasonic procedure for the first time. X-ray powder diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), and energy-dispersive X-ray spectroscopy (EDS) analyses were applied to identify and prove the purity of these particles. In addition to increasing the reaction rate and efficiency with the help of a radical generation mechanism, ultrasound was able to aid the synthesis of these particles. After confirming nanoparticle formation, the optimal nanoparticles in view of scale and morphology were selected by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Optimal particles at three concentrations (25, 50, and 100 ppm) were mixed into the algae growth medium to investigate the effects of the nanoparticles on Dunaliella salina growth. Biological parameters, including the number of cells, biomass, specific growth rate, pigments, and malondialdehyde (MDA), were measured after ten days. Growth parameters showed an increasing trend in concentrations up to 50 ppm; however, at a concentration of 100 ppm, a significant decrease was observed in contrast to the nanoparticles-free treatment. The MDA content showed a linear relationship with enhanced concentration of the nanoparticles. The examination of biological parameters showed that the algae response to stress was dependent on the concentration of nanoparticles. The results showed that 50 ppm of nanoparticles are suitable for increasing algae and achieving a suitable growth rate for commercial purposes. However, in higher concentrations, algal growth inhibition occurs, which is of great importance from a biotechnological point of view.

In this work, Nd₂WO₆ nanoparticles were synthesized by the ultrasonic method for the first time. Also, for the first time, the impact of these nanoparticles on the environment was investigated.     

Correction: Development and in vitro evaluation of κ-carrageenan based polymeric hybrid nanocomposite scaffolds for bone tissue engineering

Correction for ‘Development and in vitro evaluation of κ-carrageenan based polymeric hybrid nanocomposite scaffolds for bone tissue engineering’ by Muhammad Umar Aslam Khan et al., RSC Adv., 2020, 10, 40529–40542. DOI: 10.1039/D0RA07446B.

The authors regret errors in Fig. 9 in the original article. The corrected Fig. 9 is shown below where all three +ive control panels and the 72 h CG-g-Aac-2 panel have been replaced.Open in a separate windowFig. 9Cell morphology of MC3T3-E1 against +ive control and all scaffold samples (CG-g-AAc1, CG-g-AAc2 and CG-g-AAc3) under standard in vitro conditions. The red arrows show thread-like morphology and the yellow arrows exhibits well-grown morphology of the cells.The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.     

Recent advances in biological nanopores for nanopore sequencing,sensing and comparison of functional variations in MspA mutants

Biological nanopores are revolutionizing human health by the great myriad of detection and diagnostic skills. Their nano-confined area and ingenious shape are suitable to investigate a diverse range of molecules that were difficult to identify with the previous techniques. Additionally, high throughput and label-free detection of target analytes instigated the exploration of new bacterial channel proteins such as Fragaceatoxin C (FraC), Cytolysin A (ClyA), Ferric hydroxamate uptake component A (FhuA) and Curli specific gene G (CsgG) along with the former ones, like α-hemolysin (αHL), Mycobacterium smegmatis porin A (MspA), aerolysin, bacteriophage phi 29 and Outer membrane porin G (OmpG). Herein, we discuss some well-known biological nanopores but emphasize on MspA and compare the effects of site-directed mutagenesis on the detection ability of its mutants in view of the surface charge distribution, voltage threshold and pore–analyte interaction. We also discuss illustrious and latest advances in biological nanopores for past 2–3 years due to limited space. Last but not the least, we elucidate our perspective for selecting a biological nanopore and propose some future directions to design a customized nanopore that would be suitable for DNA sequencing and sensing of other nontrivial molecules in question.

Future of nanopore DNA sequencing: schematic illustration shows the future of nanopore DNA sequencing by using a customized biological nanopore with appropriate fabrication.     

The SARS-CoV-2 B.1.618 variant slightly alters the spike RBD–ACE2 binding affinity and is an antibody escaping variant: a computational structural perspective

Continuing reports of new SARS-CoV-2 variants have caused worldwide concern and created a challenging situation for clinicians. The recently reported variant B.1.618, which possesses the E484K mutation specific to the receptor-binding domain (RBD), as well as two deletions of Tyr145 and His146 at the N-terminal binding domain (NTD) of the spike protein, must be studied in depth to devise new therapeutic options. Structural variants reported in the RBD and NTD may play essential roles in the increased pathogenicity of this SARS-CoV-2 new variant. We explored the binding differences and structural-dynamic features of the B.1.618 variant using structural and biomolecular simulation approaches. Our results revealed that the E484K mutation in the RBD slightly altered the binding affinity through affecting the hydrogen bonding network. We also observed that the flexibility of three important loops in the RBD required for binding was increased, which may improve the conformational optimization and consequently binding of the new variant. Furthermore, we found that deletions of Tyr145 and His146 at the NTD reduced the binding affinity of the monoclonal antibody (mAb) 4A8, and that the hydrogen bonding network was significantly affected consequently. This data show that the new B.1.618 variant is an antibody-escaping variant with slightly altered ACE2–RBD affinity. Moreover, we provide insights into the binding and structural-dynamics changes resulting from novel mutations in the RBD and NTD. Our results suggest the need for further in vitro and in vivo studies that will facilitate the development of possible therapies for new variants such as B.1.618.

This study explored the binding patterns of the wild type and B.1.618 variant using which revealed that the B.1.618 variant possess a stronger binding affinity for the host ACE2 and escape the neutralizing antibodies.     

Designing a novel visible-light-driven heterostructure Ni–ZnO/S-g-C3N4 photocatalyst for coloured pollutant degradation

In this study, photocorrosion of ZnO is inhibited by doping Ni in the ZnO nanostructure and electron–hole recombination was solved by forming a heterostructure with S-g-C₃N₄. Ni is doped into ZnO NPs from 0 to 10% (w/w). Among the Ni-decorated ZnO NPs, 4% Ni-doped ZnO NPs (4NZO) showed the best performance. So, 4% Ni–ZnO was used to form heterostructure NCs with S-g-C₃N₄. NZO NPs were formed by the wet co-precipitation route by varying the weight percentage of Ni (0–10% w/w). Methylene blue (MB) was used as a model dye for photocatalytic studies. For the preparation of the 4NZO-x-SCN nanocomposite, 4NZO NPs were formed in situ in the presence of various concentrations of S-g-C₃N₄ (10–50% (w/w)) by using the coprecipitation route. The electron spin resonance (ESR) and radical scavenger studies showed that O₂⁻ and OH free radicals were the main reactive species that were responsible for MB photodegradation.

Ni-doped ZnO/S-g-C₃N₄ nanocomposites were formed as a novel heterostructure photocatalyst.     

Predictive value and reference ranges of anogenital distance for determining fetal gender in the first trimester: A retrospective cohort study

Objectives:To assess the usefulness of sonographically measured anogenital distance (AGD) in predicting fetal gender in Saudi fetuses during the first trimester and to provide normal reference centiles for AGD.Methods:A retrospective cohort study was conducted at King Faisal Specialist Hospital and Research Center, Riyadh, Saudi Arabia between November 2020 and May 2021. The ultrasound scans of 313 singleton pregnancies between 11–13 plus 6 gestational weeks and their gender-at-birth were collected. Anogenital distance was measured from the inferior base of the genital tubercle to the rump. Binominal logistic regression and receiver operating characteristic curves (ROC) evaluated the predictive performance of AGD for determining fetal gender.Results:There was a significant difference of approximately 15% in mean AGD between female (5.92 mm [95% CI= 6.70, 6.14]) and male (6.80 mm [95% CI= 6.61,7.00]) fetuses (p<0.001). Anogenital distance significantly correlated with gestational age (r=0.573, p<0.001) and crown-rump length (r=0.562, p<0.001). The logistic regression determined AGD as a significant predictor of fetal gender (p<0.001). However, ROC analysis showed that overall accuracies were low at 68% (p=0.001) for 11 weeks, 70% (p<0.001) for 12 weeks, and 64% (p=0.017), and for 13 weeks. The average AGD of our Saudi cohort was longer than what the literature reported from other populations.Conclusion:The first-trimester ultrasound evaluation of AGD was feasible and reliable. It showed a difference between the genders but did not yield high predictive accuracy. Future research should consider racial factors when evaluating AGD.     

The Saudi Critical Care Society extracorporeal life support chapter guidance on utilization of veno-venous extracorporeal membrane oxygenation in adults with acute respiratory distress syndrome and special considerations in the era of coronavirus disease 2019

Extracorporeal membrane oxygenation (ECMO) is considered as a supportive treatment that provides circulatory and ventilatory support and can be thought off as a bridge to organ recovery. Since 2009, it has been applied as a rescue treatment for patients with severe adult respiratory distress syndrome (ARDS) mainly due to viral causes. In December 2019, several patients presented with a constellation of symptoms of viral pneumonia in China. A new strain of the corona virus family, called COVID-19, has been discovered to be the cause of this severe mysterious illness that was named severe acute respiratory syndrome coronavirus 2 (SARS‑CoV‑2). This new virus continued to spread across the globe leading to the World Health Organization announcing it as a pandemic in the early 2020. By the end of March 2021, the number of COVID-19 cases worldwide exceeded 126 million cases. In Saudi Arabia, the first confirmed case of COVID-19 was reported in the 2nd March 2020. By the end of March 2021, the total number of confirmed COVID-19 cases in Saudi Arabia is just above 360,000. In anticipation of the need of ECMO for the treatment of patients with SARS‑CoV‑2 based on the previous Middle East respiratory syndrome coronavirus pandemic experience, the Saudi Extra-Corporeal Life Support (ECLS) chapter that is under the umbrella of the Saudi Critical Care Society (SCCS) convened a working group of ECMO experts. The mission of this group was to formulate a guidance for the use of ECMO as a last resort for patients with severe ARDS, especially with COVID-19 based on available evidence. The ECLS-SCCS chapter wanted to generate a document that can be used to simple guide, with a focus on safety, to provide ECMO service for patients with severe ARDS with a special focus on SARS‑CoV‑2.