Polyethylene Glycol Functionalized Graphene Oxide Nanoparticles Loaded with Nigella sativa Extract: A Smart Antibacterial Therapeutic Drug Delivery System

Flaky graphene oxide (GO) nanoparticles (NPs) were synthesized using Hummer’s method and then capped with polyethylene glycol (PEG) by an esterification reaction, then loaded with Nigella sativa (N. sativa) seed extract. Aiming to investigate their potential use as a smart drug delivery system against Staphylococcus aureus and Escherichia coli, the spectral and structural characteristics of GO-PEG NPs were comprehensively analyzed by XRD, AFM, TEM, FTIR, and UV- Vis. XRD patterns revealed that GO-PEG had different crystalline structures and defects, as well as a higher interlayer spacing. AFM results showed GONPs with the main grain size of 24.41 nm, while GONPs–PEG revealed graphene oxide aggregation with the main grain size of 287.04 nm after loading N. sativa seed extract, which was verified by TEM examination. A strong OH bond appeared in FTIR spectra. Furthermore, UV- Vis absorbance peaks at (275, 284, 324, and 327) nm seemed to be correlated with GONPs, GO–PEG, N. sativa seed extract, and GO –PEG- N. sativa extract. The drug delivery system was observed to destroy the bacteria by permeating the bacterial nucleic acid and cytoplasmic membrane, resulting in the loss of cell wall integrity, nucleic acid damage, and increased cell-wall permeability.     

Host-guest molecular encapsulation of cucurbit[7]uril with dillapiole congeners using docking simulation and density functional theory approaches

Structural Chemistry - Binding affinity and intermolecular interactions are essential characteristics that could be used to comprehend molecular recognition between molecules in supramolecular...     

Microstructural properties and local atomic structures of cobalt oxide nanoparticles synthesised by mechanical ball-milling process

In this study, facile preparation of pure and nano-sized cobalt oxides particles was achieved using low-cost mechanical ball-milling synthesis route. Microstructural and morphological properties of synthesised products were characterised by X-ray diffraction (XRD) and transmission electron microscopy (TEM) techniques. XRD results indicated that the fabricated samples composed of cubic pure phase CoO and Co₃O₄ nanocrystalline particles with an average crystallite size of 37.2 and 31.8 nm, respectively. TEM images showed that the resulting samples consisted of agglomerates of particles with average diameter of about 37.6 nm for CoO and 31.9 nm for Co₃O₄. Phase purity of the prepared samples was further investigated due to their promising technological applications. Local atomic structure properties of the prepared nanoparticles were probed using synchrotron radiation-based X-ray absorption spectroscopy (XAS) including X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS). EXAFS data analysis further confirmed the formation of single-phase CoO and Co₃O₄ nanoparticles. In addition, structural properties of cobalt oxide nanoparticles were investigated by performing density functional theory calculations at B3LYP/TZVP level and Born–Oppenheimer molecular dynamics. Theoretical calculations for both prepared samples were found to be consistent with the experimental results derived from EXAFS analysis. Obtained results herein reveals that highly crystalline and pure phase CoO and Co₃O₄ nanoparticles can be synthesised using simple, inexpensive and eco-friendly ball-milling method for renewable energy applications involving fuel cells and water splitting devices.     

Multi‐crystalline silicon solar cells with metal‐assisted nano‐texturing using HNO3 as hole injection agent

In this study, metal‐assisted etching (MAE) with nitric acid (HNO₃) as a hole injecting agent has been employed to texture multi‐crystalline silicon wafers. It was previously proven that addition of HNO₃ enabled control of surface texturing so as to form nano‐cone shaped structures rather than nanowires. The process parameters optimized for optically efficient texturing have been applied to multi‐crystalline wafers. Fabrication of p‐type Al:BSF cells have been carried out on textured samples with thermal SiO₂/PECVD‐SiN_x stack passivation and screen printed metallization. Firing process has been optimized in order to obtain the best contact formation. Finally, j_sc enhancement of 0.9 mA/cm² and 0.6% absolute increase in the efficiency have been achieved. This proves that the optimized MAE texture process can be successfully used in multi‐crystalline wafer texturing with standard passivation methods.

J –V curves and SEM images of the nano and iso‐textured samples. j_sc enhancement of 0.9 mA/cm² together with 0.6% absolute efficiency gain was observed on nano‐textured samples.     

Pure uterine lipoma

Lipomatous tumors of the uterus are unusual, benign neoplasms seen in postmenopausal women. Although many of the mixed-type cases such as lipoleiomyoma and fibrolipoma have been reported, pure uterine lipomas are extremely rare. In the literature, a few cases with pure uterine lipoma have been reported. We first present the advanced magnetic resonance findings of pure uterine lipoma, followed by those of ultrasonography (US) and computed tomography (CT). We markedly detected lipid peaks on the magnetic resonance spectroscopy (MRS) and the apparent diffusion coefficient value to be 0.00 due to chemical-shift effects with diffusion-weighted imaging (DWI). Although pelvic lipomatous tumors can be diagnosed with US and CT, in some cases, further workup may be required to localize the lesion. MRI may yield more valuable data for differential diagnosis. MRS and DWI findings provide additional clues on the nature of the lesion.     

Synthesis of carrageenan coated silver nanoparticles by an easy green method and their characterization and antimicrobial activities

The aim of the present work was to synthesize carrageenan coated silver nanoparticles (CA–AgNPs) using carrageenan as reducing and stabilizing agent. For this purpose, 10 mL of 0.35% (w/v) carrageenan solution was mixed with 10 mL AgNO₃ solution at different concentrations (1, 5 and 10 mM), and the resulting mixture was stirred at 100 °C at high speed for 2 h. The formation of CA–AgNPs was proven with the surface plasmon peaks observed at approximately 420 nm. The sizes and zeta potentials of CA–AgNPs were determined by Zeta-Sizer. Negative zeta potentials of CA–AgNPs indicated that the obtained AgNPs were stable. With scanning electron microscope (SEM) and transmission electron microscope analysis, it was seen that CA–AgNPs have spherical structure. According to the energy dispersion spectrometer analysis based on SEM images, it was observed that the samples were elementally composed of carbon, oxygen, sulfur, potassium and silver. The chemical structures of CA–AgNPs were determined by Fourier transform infrared spectroscopy, and it was proved that the carbonyl and OH groups of carrageenan were involved in formation and stabilizing of AgNPs, respectively. According to thermal gravimetric analysis, it has been observed that CA–AgNPs were thermally more stable than pure carrageenan. Antibacterial activity of CA–AgNPs against gram-positive and gram-negative bacteria was investigated with agar well diffusion and liquid test. It has been observed that CA–AgNPs synthesized with 1 mM AgNO₃ did not have an antibacterial activity on Escherichia coli and Staphylococcus aureus. Inhibition zones of varying diameters were observed in the 5 mM and 10 mM S-AgNPs groups. The synthesized CA–AgNPs (5 and 10 mM) have the capacity to be used in wound dressing materials or topical agents applied to burns and wounds due to their antibacterial effects and stability.

     

Shape memory behavior in Fe3Al-modeling and experiments

The Fe₃Al alloy with D0₃ structure exhibits large recoverable strains due to reversible slips. Tension and compression experiments were conducted on single crystals of Fe₃Al, and the onset of slip in forward and reverse directions were obtained utilizing high-resolution digital image correlation technique. The back stress provides the driving force for reversal of deformation upon unloading, resulting in a superelastic phenomenon as in shape memory alloys. Using density functional theory simulations, we obtain the energy barriers (GSFE – generalized stacking fault energy) for {1?1?0}〈1?1?1〉 and {1?1?2}〈1?1?1〉 slips in D0₃ Fe₃Al and the elastic moduli tensor, and undertake anisotropic continuum calculations to obtain the back stress and the frictional stress responsible for reversible slip. We compare the theoretically obtained slip stress magnitudes (friction and back stress) with the experimental measurements disclosing excellent agreement.     

Electrochemical preparation of α-Ni(OH)2 ultrafine nanoparticles for high-performance supercapacitors

Well-dispersed nanoparticles of nickel hydroxide were prepared via a simple electrochemical method. Electrodeposition experiments were performed from 0.005 M Ni(NO₃)₂ bath at a constant current density of 0.1 mA cm^?2 on the steel cathode for 1 h. Recording the potential values during the deposition process revealed that the reduction of water has major role in the base electrogeneration at the applied conditions. The obtained deposit was characterized by the X-ray diffraction (XRD), infrared (IR), differential scanning calorimeter–thermogravimetric analysis, carbon–nitrogen–hydrogen (CHN), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) techniques. The CHN, XRD, and IR analyses showed that the obtained deposit has α phase of Ni(OH)₂ with intercalated nitrate ions in its structure. Morphological characterization by SEM and TEM revealed that the prepared α-Ni(OH)₂ is composed of well-dispersed ultrafine particles with the size of about 5 nm. The supercapacitive performance of the prepared nanoparticles was analyzed by means of cyclic voltammetry and galvanostatic charge–discharge tests. The electrochemical measurements showed an excellent supercapacitive behavior of the prepared α-Ni(OH)₂ nanoparticles. It was also observed that the α-Ni(OH)₂ ultrafine particles have better electrochemical characteristic and supercapacitive behavior than β-Ni(OH)₂ ultrafine nanoparticles, including less positive charging potential, lower E _a???E _c value, better reversibility, higher E _OER???E _a, higher utilization of active material, higher proton diffusion coefficient, greater discharge capacity, and better cyclability. These results make the α-Ni(OH)₂ nanoparticles as an excellent candidate for the supercapacitor materials.     

Robust Inclusion Complexes of Crown Ether Fused Tetrathiafulvalenes with Li+@C60 to Afford Efficient Photodriven Charge Separation

Inclusion complexes of benzo‐ and dithiabenzo‐crown ether functionalized monopyrrolotetrathiafulvalene (MPTTF) molecules were formed with Li⁺@C₆₀ ( 1? Li⁺@C₆₀ and 2? Li⁺@C₆₀). The strong complexation has been quantified by high binding constants that exceed 10⁶ M ^?1 obtained by UV/Vis titrations in benzonitrile (PhCN) at room temperature. On the basis of DFT studies at the B3LYP/6‐311G(d,p) level, the orbital interactions between the crown ether moieties and the π surface of the fullerene together with the endohedral Li⁺ have a crucial role in robust complex formation. Interestingly, complexation of Li⁺@C₆₀ with crown ethers accelerates the intersystem crossing upon photoexcitation of the complex, thereby yielding ³(Li⁺@C₆₀)*, when no charge separation by means of ¹Li⁺@C₆₀* occurs. Photoinduced charge separation by means of ³Li⁺@C₆₀* with lifetimes of 135 and 120 μs for 1? Li⁺@C₆₀ and 2? Li⁺@C₆₀, respectively, and quantum yields of 0.82 in PhCN have been observed by utilizing time‐resolved transient absorption spectroscopy and then confirmed by electron paramagnetic resonance measurements at 4 K. The difference in crown ether structures affects the binding constant and the rates of photoinduced electron‐transfer events in the corresponding complex.     

Electrochemical investigation of a schiff base synthesized by cinnamaldehyde as corrosion inhibitor on mild steel in acidic medium

The inhibiting effect of (NE)-4-phenoxy-N-(3-phenylallylidene) aniline (PAC) on the corrosion of mild steel in 1.0 M HCl has been studied by electrochemical impedance spectroscopy, and Tafel polarization measurements. The corrosion rate was also calculated theoretically in terms of mm per year and mil per year, using current density values of mild steel in 1.0 M HCl medium. It was found that PAC has a remarkable inhibition efficiency on the corrosion of mild steel especially at high temperatures. The values of E _a obtained in presence of a Schiff base were found to be lower than those obtained in the inhibitor-free solution. The increase of inhibition efficiency percent with temperature increase was associated with the transformation of physical adsorption into chemical adsorption. The thermodynamic functions of adsorption processes have been evaluated and discussed at each temperature. Scanning electron microscope observations of the electrode surface confirmed the existence of a protective adsorbed film of the inhibitor on the electrode surface.