Synthesis and Characterization of Chemically and Green-Synthesized Silver Oxide Particles for Evaluation of Antiviral and Anticancer Activity.

Silver oxide (Ag2O) particles are wonderful candidates due to their unique properties, and their use in a wide range of research, industrial and biomedical applications is rapidly increasing. This makes it fundamental to develop simple, environmentally friendly methods with possible scaling. Herein, sodium borohydride and Datura innoxia leaf extract were applied as chemical and biological stabilizing and reducing agents to develop Ag2O particles. The primary aim was to evaluate the anticancer and antiviral activity of Ag2O particles prepared via two methods. XRD, UV-visible and SEM analyses were used to examine the crystallite structure, optical properties and morphology, respectively. The resulting green-synthesized Ag2O particles exhibited small size, spherically agglomerated shape, and high anticancer and antiviral activities compared to chemically synthesized Ag2O particles. The MTT (3-(4,5-dimethylthiazol-2-yl)-2,5 diphenyltetrazolium-bromide) assay of green-synthesized Ag2O particles showed high anticancer activity against MCF-7 cells with IC50 = 17.908 µg/mL compared to chemically synthesized Ag2O particles with IC50 = 23.856 µg/mL. The antiviral activity of green-synthesized Ag2O particles and chemically synthesized Ag2O particles was also evaluated by a plaque-forming assay, and green-synthesized Ag2O particles showed higher antiviral ability with IC50 = 0.618 µg/mL as compared to chemically synthesized Ag2O particles with IC50 = 6.129 µg/mL. We propose the use of green-synthesized Ag2O particles in cancer treatment and drug delivery.

Multi-atomic loaded C2N1 catalysts for CO2 reduction to CO or formic acid.

In recent years, the development of highly active and selective electrocatalysts for the electrochemical reduction of CO2 to produce CO and formic acid has aroused great interest, and can reduce environmental pollution and greenhouse gas emissions. Due to the high utilization of atoms, atom-dispersed catalysts are widely used in CO2 reduction reactions (CO2RRs). Compared with single-atom catalysts (SACs), multi-atom catalysts have more flexible active sites, unique electronic structures and synergistic interatomic interactions, which have great potential in improving the catalytic performance. In this study, we established a single-layer nitrogen-graphene-supported transition metal catalyst (TM-C2N1) based on density functional theory, facilitating the reduction of CO2 to CO or HCOOH with single-atom and multi-atomic catalysts. For the first time, the TM-C2N1 monolayer was systematically screened for its catalytic activity with ab initio molecular dynamics, density of states, and charge density, confirming the stability of the TM-C2N1 catalyst structure. Furthermore, the Gibbs free energy and electronic structure analysis of 3TM-C2N1 revealed excellent catalytic performance for CO and HCOOH in the CO2RR with a lower limiting potential. Importantly, this work highlights the moderate adsorption energy of the intermediate on 3TM-C2N1. It is particularly noteworthy that 3Mo-C2N1 exhibited the best catalytic performance for CO, with a limiting potential (UL) of -0.62 V, while 3Ti-C2N1 showed the best performance for HCOOH, with a corresponding UL of -0.18 V. Additionally, 3TM-C2N1 significantly inhibited competitive hydrogen evolution reactions. We emphasize the crucial role of the d-band center in determining products, as well as the activity and selectivity of triple-atom catalysts in the CO2RR. This theoretical research not only advances our understanding of multi-atomic catalysts, but also offers new avenues for promoting sustainable CO2 conversion.

Investigation of gadolinium doped manganese nano spinel ferrites via magnetic hypothermia therapy effect towards MCF-7 breast cancer.

Magnetic spinel ferrite nanoparticles (MSF-NPs) are potential candidates for biomedical applications, especially in cancer diagnosis and therapy due to their excellent physiochemical and magnetic properties. In the current study, MSF-NPs were fabricated by sol-gel auto combustion method. The crystal structure and surface morphology were confirmed by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The magnetic properties were studied by VSM (vibrating sample magnetometer). As increasing Gd3+ concentration, the saturation magnetization values decreased from (17.8-2.3) emu/g, while the coercivity decreased from (499-133) Oe at room temperature. Finally, the fabricated MSF-NPs were tested against anticancer activity by MTT assay. The IC50 = 21.27 µg/mL value was observed, showing the strong antiproliferative activity of these nanoparticles. These results suggested that the obtained MSF-NPs would be useful for remote-controlled hyperthermia therapy for cancer treatment and MRI application due to their excellent magnetic properties. These distinct properties make MSF-NPs most suitable for cancer treatment and bright Contrast Agents (T1-MRI).

Deep Eutectic Solvent Coated Cerium Oxide Nanoparticles Based Polysulfone Membrane to Mitigate Environmental Toxicology.

In this study, ceria nanoparticles (NPs) and deep eutectic solvent (DES) were synthesized, and the ceria-NP's surfaces were modified by DES to form DES-ceria NP filler to develop mixed matrix membranes (MMMs). For the sake of interface engineering, MMMs of 2%, 4%, 6% and 8% filler loadings were fabricated using solution casting technique. The characterizations of SEM, FTIR and TGA of synthesized membranes were performed. SEM represented the surface and cross-sectional morphology of membranes, which indicated that the filler is uniformly dispersed in the polysulfone. FTIR was used to analyze the interaction between the filler and support, which showed there was no reaction between the polymer and DES-ceria NPs as all the peaks were consistent, and TGA provided the variation in the membrane materials with respect to temperature, which categorized all of the membranes as very stable and showed that the trend of stability increases with respect to DES-ceria NPs filler loading. For the evaluation of efficiency of the MMMs, the gas permeation was tested. The permeability of CO2 was improved in comparison with the pristine Polysulfone (PSF) membrane and enhanced selectivities of 35.43 (αCO2/CH4) and 39.3 (αCO2/N2) were found. Hence, the DES-ceria NP-based MMMs proved useful in mitigating CO2 from a gaseous mixture.

Storage of Na in 2D SnS for Na ion batteries: a DFT prediction.

The high demand for renewable and clean energy has driven the exploration of advanced energy storage systems. Sodium-ion batteries (SIBs) are considered to be potential substitutes for Li-ion batteries (LIBs) because they are manufactured from raw materials that are cheap, less toxic, and abundantly available. Recent developments have demonstrated that two-dimensional (2D) materials have gained increasing interest as electrode candidates for efficient SIBs because of their enormous surface area and sufficient accommodating sites for the storage of Na ions. Herein, we explore the binding and diffusion mechanisms of Na on a 2D SnS sheet using density functional theory (DFT). The outcomes reveal that Na has a strong binding strength with SnS as well as charge transfer from Na to SnS, which affirms an excellent electrochemical performance. A transition from semiconducting (1.4 eV band gap) to metallic has been noted in the electronic structure after loading a minor amount of Na. In addition, a low open-circuit voltage (OCV) of 0.87 V and a high storage capacity of 357 mA h g-1 show the suitability of the SnS monolayer for SIBs. In addition, the low activation barrier for Na migration (0.13 eV) is attractive for a fast sodiation/desodiation process. Henceforth, these encouraging outcomes suggest the application of the SnS sheet as an excellent anode for next-generation SIBs.

Vanadium Carbide (V4C3) MXene as an Efficient Anode for Li-Ion and Na-Ion Batteries.

Li-ion batteries (LIBs) and Na-ion batteries (SIBs) are deemed green and efficient electrochemical energy storage and generation devices; meanwhile, acquiring a competent anode remains a serious challenge. Herein, the density-functional theory (DFT) was employed to investigate the performance of V4C3 MXene as an anode for LIBs and SIBs. The results predict the outstanding electrical conductivity when Li/Na is loaded on V4C3. Both Li2xV4C3 and Na2xV4C3 (x = 0.125, 0.5, 1, 1.5, and 2) showed expected low-average open-circuit voltages of 0.38 V and 0.14 V, respectively, along with a good Li/Na storage capacity of (223 mAhg-1) and a good cycling performance. Furthermore, there was a low diffusion barrier of 0.048 eV for Li0.0625V4C3 and 0.023 eV for Na0.0625V4C3, implying the prompt intercalation/extraction of Li/Na. Based on the findings of the current study, V4C3-based materials may be utilized as an anode for Li/Na-ion batteries in future applications.

Lithiation and Sodiation of Hydrogenated Silicene: A Density Functional Theory Investigation.

The next-generation renewable energy machineries necessitate the electrodes with appropriate electrochemical performance. Here, the anodic properties of silicane for Li- and Na-ion batteries were scrutinized employing first-principle calculations. The projected single-layer hydrogen-functionalized Si (Si2 H2 ) structure was energetically, mechanically, dynamically, and thermally stable based on theoretical simulations, confirming its experimental feasibility. The electronic properties revealed the semiconducting nature of silicane on the basis of PBE and HSE06 schemes with an indirect bandgap. As anode material for Li- and Na-ion batteries, hydrogenated silicene showed promising electrochemical performance because of the proper adsorption strength between Si2 H2 and the adsorbed Li and Na. The average open circuit voltages for Li2x Si2 H2 and Na2x Si2 H2 were as low as 0.42 and 0. 64 V, while its specific capacity was as high as 921 and 1842 mAh g-1 for Li and Na, respectively. It also showed ultra-fast diffusion channels for Li and Na ions. The diffusion barriers for Li and Na migrations were as low as 0.18 and 0.14 eV, respectively, which revealed rapid charge/discharge processes using hydrogenated silicene as anode. These important features facilitate silicane as favorable anode material for Li/Na-ion batteries.

Lip Adhesion- A Viable Alternative To Pre-Surgical Orthodontics For The Management Of Wide Cleft Lips In Third World Countries.

BACKGROUND: Cleft lip and palate is a relatively common condition presenting a considerable technical challenge, especially the wide cleft (>8 mm), for the surgeons. Pre-surgical orthodontics, which reduces the cleft width and facilitates definitive repair, is expensive and not universally available, especially in the third world. Lip adhesion could be a cheaper alternative to pre-surgical orthodontics. METHODS: This six-year prospective observational study, from 2010 to 2016, was conducted at the paediatric surgical units of PNS Shifa Hospital, Karachi and Military Hospital Rawalpindi. All children with wide (8 mm or more gap in the alveolus) complete ULCP (unilateral cleft lip and palate) were included in the study. Lip adhesion with concomitant vomer flap palatal repair was followed by definitive lip repair once the desired moulding, i.e., alveolar gap <5 mm or adequate narrowing as per surgeon's subjective assessment during the 3 and 6 monthly follow up, had been achieved. RESULTS: A total of 53 children with the mean age 4.5±1.5 months were subjected to surgery, 32 (60.4 %) were males and 21 (39.6%) were females. The mean gap in the cleft alveolus was 11.1±1.7 mm, which was reduced to a mean of 3.2±1.3 mm, after a follow up of 4.3±1.1 months. The outcome of the lip repair, based on parental satisfaction, was excellent in 41 (77.3%), good in 10 (18.9%) and poor in 2 (3.8%) cases. CONCLUSIONS: Lip adhesion is a safe and effective substitute for pre-surgical orthodontics in wide ULCP.

A reliability study of measurement tools available on standard picture archiving and communication system workstations for the evaluation of hip radiographs following arthroplasty.

BACKGROUND: Conventional radiography is the primary imaging tool for routine follow-up of total hip replacements, but the reliability of this method has been questioned. The aim of this study was to assess the reliability of commonly used measurements of the position of hip prostheses on postoperative radiographs with use of tools available on all standard picture archiving and communication system workstations. METHODS: Fifty anteroposterior pelvic and lateral hip radiographs that were made after a unilateral total hip arthroplasty were included in this study. Acetabular inclination, lateral offset, lower-limb length, center of rotation, and femoral stem angle were independently assessed by two observers. Intraclass correlation coefficients were calculated for each measurement. RESULTS: The results demonstrated excellent reliability for acetabular angle (r = 0.95), lower-limb length (r = 0.91), and lateral offset (r = 0.95) measurements and good reliability for center of rotation (r = 0.73) and lateral femoral stem angle (r = 0.68) measurements. CONCLUSIONS: The position of total hip replacements can be reliably assessed with use of simple electronic tools and standard radiology workstations.