Novel pyrazole and imidazolone compounds: synthesis, X-ray crystal structure with theoretical investigation of new pyrazole and imidazolone compounds anticipated insecticide's activities against targeting Plodia interpunctella and nilaparvata lugens.

In this study, we synthesized (2-propoxyphenyl)(3-(p-tolyl)oxiran-2-yl)methanone through oxidizing the double bond of the respective chalcone via the Weitz-Scheffer epoxidation reaction. Additionally, the chalcone with an oxirane ring served as a fundamental building block for the synthesis of various pyrazole and imidazole derivatives, employing diverse nitrogen nucleophiles. All synthesized compounds were confirmed via analytical and spectroscopic analysis, such as FT-IR, 1H NMR, 13C NMR, and mass spectroscopy. Furthermore, all these nitrogen heterocycles were optimized via the DFT/B3LYP/6-31G(d,p) basis set and their physical descriptors were identified. Compound 11 was further confirmed using single-crystal X-ray diffraction with Hirshfeld analysis, and the results were correlated with the optimized structure by comparing their bond length and bond angle, which provided excellent correlation. Additionally, the insecticidal activities of the newly synthesized compounds were tested against P. interpunctella and Nilaparvata lugens. The heterocyclic compounds exhibited remarkable activity compared to the standard reference thiamethoxam. These findings were further confirmed through docking simulation with different proteins, namely PDBID 3aqy and 3wyw. The compounds interacted effectively within the protein pockets, displaying a higher binding energy with amino acids.

Covalently linked thieno[2,3-b]thiophene-fullerene dimers: synthesis and physical characterization.

Thienothiophene (TT) has received great attention in the fields of electronics and optoelectronics. Here we report a synthesis and characterization of fullerene-donor-fullerene triads linked to thieno[2,3-b]thiophene as a donor. The photophysical and electrochemical properties of the new dumbbells were investigated using UV-vis spectroscopy, fluorescence spectroscopy, cyclic voltammetry, and square wave voltammetry. The results showed that both compounds have higher LUMO energy levels than PC61BM, indicating that they can be used in photovoltaic applications. Furthermore, the powder was structurally and morphologically characterized via X-ray diffraction (XRD) and scanning electron microscopy (SEM). The SEM revealed the morphological characterization of the two derivatives as globular and urchin-like supramolecular assemblies.

Eco-friendly Silane-Based Coating for Mitigation of Carbon Steel Corrosion in Marine Environments.

Losses from corrosion contribute roughly 3-5% of the gross domestic product of developed nations, and among the many methods used to avoid corrosion, using silane-based coatings is seen to be of the biggest importance due to their low toxicity and superior adhesive qualities. It is essential to develop an anti-corrosion coating that is efficient, economical, and eco-friendly. The corrosion resistance and durability of various silane-based coatings such as 1,2-bis(triethoxysilyl)ethane (BTSE), bis[3-(triethoxysilyl)propyl]tetrasulfide (TESPT), and vinyltrimethylsilane (VTES) for carbon steel 1018 substrates were investigated in a high-salinity environment (4.5 wt % NaCl). The corrosion resistance performance was evaluated via potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques. Results revealed that the TESPT film (pH ≈ 7) has the best corrosion resistance performance on the carbon steel surface in the aggressive chloride environment, that is, 99.6%. The high corrosion resistance of the TESPT film is due to the hydrophobic nature of this silane, which leads to the formation of a stable and dense film. These results were supported by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX) analyses.

Enhancement of Supercapacitor Performance of Electrochemically Grown Nickel Oxide by Graphene Oxide.

ß-Ni(OH)2 and ß-Ni(OH)2/graphene oxide (GO) were prepared on an Ni foil electrode using the electrochemical cyclic voltammetry formed in 0.5 M KOH solution. Several surface analyses such as XPS, XRD, and Raman spectroscopies were used to confirm the chemical structure of the prepared materials. The morphologies were determined using SEM and AFM. The addition of the graphene oxide layer showed a remarkable increase in the specific capacitance of the hybrid. Through the measurements, the specific capacitance values were 280 F g-1 and 110 F g-1 after and before adding 4 layers of GO, respectively. The supercapacitor displays high stability until 500 cycles are charged and discharged almost without a loss in its capacitance values.

Nanocomposite Electrode of Titanium Dioxide Nanoribbons and Multiwalled Carbon Nanotubes for Energy Storage.

TiO2 is one of the most investigated materials due to its abundance, lack of toxicity, high faradaic capacitance, and high chemical and physical stability; however, its potential use in energy storage devices is constrained by its high internal resistance and weak van der Waals interaction between the particles. Carbon nanotubes are especially well suited for solving these issues due to their strong mechanical strength, superior electrical conductivity, high electron mobilities, excellent chemical and thermal stability, and enormous specific nanoporous surface. The hydrothermal approach was followed by chemical vapor deposition to produce a network composite of titanium dioxide nanoribbons (TNRs) and multi-walled carbon nanotubes (MWCNTs). The nanocomposite was characterized using a variety of methods. One phase of TiO2-B nanoribbons has porous pits on its surface, and MWCNTs are grown in these pits to produce a network-like structure in the nanocomposite. With a two-electrode supercapacitor configuration, the TNR/CNT gave a gravimetric capacitance of 33.33 F g-1, which was enhanced to 68.18 F g-1 in a redox-active electrolyte containing hydroquinone (HQ). Additionally, the areal capacitance per footprint was increased from 80 mF cm-2 in H2SO4 to 163.63 mF cm-2 in H2SO4/HQ. The TNR/CNT supercapacitor has superior cyclic stability than the previously reported TiO2-based electrodes, with 97.5% capacitance retention after 5000 cycles. Based on these results, it looks like the TNR/CNT supercapacitor could provide portable electronic power supplies with new ways to work in the future.

Green Synthesis of CS-TiO2 NPs for Efficient Photocatalytic Degradation of Methylene Blue Dye.

The development of a non-malignant and sustainable treatment approach for eradicating mephitic organic dyes from freshwater resources is a daunting task. In a similar vein, the current work investigates the mitigation of methylene blue (MB) dye utilizing titanium dioxide nanoparticles (CS-TiO2 NPs) synthesized using cannabis sativa (bhang) leaf extract via a greener approach. The CS-TiO2 NPs are well characterized through XRD, FE-SEM, HR-TEM, UV-Vis spectroscopy, FTIR spectroscopy, and EDS spectroscopy. Microscopic studies confirm that the average particle size distribution of the individual particles was found to be in the range of 12.5 ± 1.5 nm, whereas the average size of the CS-TiO2 NPs aggregates is 24.5 ± 11.5 nm. Additionally, the synthesized CS-TiO2 NPs manifested remarkable photocatalytic degradation potential against methylene blue dye with a degradation efficiency of 98.2% and an apparent rate constant of 0.0398 min-1. As a result, this research offers a green/sustainable alternative for water purification.

Facile Fabrication of Polyaniline/Pbs Nanocomposite for High-Performance Supercapacitor Application.

In this work, a polyaniline/lead sulfide (PANI/PbS) nanocomposite was prepared by combining the in situ oxidation polymerization method and the surface adsorption process. This nanocomposite was applied as a supercapacitor electrode. The crystal structure, nanomorphology, and optical analysis of PANI and PANI/PbS were investigated. The electrochemical performance of the designed PANI/PbS electrode-based supercapacitor was tested by using cyclic voltammetry (CV), chronopotentiometry (CP), and AC impedance techniques in HCl and Na2SO4 electrolytes. The average crystallite size of the PANI/PbS nanocomposite is about 43 nm. PANI/PbS possesses an agglomerated network related to PANI with additional spherical shapes from PbS nanoparticles. After the PANI/PbS nanocomposite formation, there are enhancements in their absorption intensities. At a current density of 0.4 A g-1, the specific capacitance of PANI/PbS in Na2SO4 and HCl was found to be 303 and 625 F g-1, respectively. In HCl (625 F g-1 and 1500 mF cm-2), the gravimetric and areal capacitances of the PANI/PbS electrode are nearly double those of the Na2SO4 electrolyte. Also, the average specific energy and specific power density values for the PANI/PbS electrode in HCl are 4.168 Wh kg-1 and 196.03 W kg-1, respectively. After 5000 cycles, the capacitance loses only 4.5% of its initial value. The results refer to the high stability and good performance of the designed PANI/PbS as a supercapacitor electrode.

Phyto-Capped Ag Nanoparticles: Green Synthesis, Characterization, and Catalytic and Antioxidant Activities.

Using a simple approach, silver nanoparticles (Ag NPs) were synthesized from green coffee bean extract. The optical color change from yellowish to reddish-brown of the green-produced Ag NPs was initially observed, which was confirmed by the UV-Visible spectrophotometer's surface plasmonic resonance (SPR) bands at 329 and 425 nm. The functional groups of green coffee-capped Ag NPs (GC-capped Ag NPs) were studied using a Fourier transform infrared spectrometer, revealing that Ag NPs had been capped by phytochemicals, resulting in excellent stability, and preventing nanoparticle aggregation. The presence of elemental silver is confirmed by energy dispersive X-ray analysis. In addition to the measurement of the zeta potential of the prepared GC-capped Ag NPs, the size distribution is evaluated by the dynamic light scattering. Depending on the nano-morphological study, the particle diameter of Ag NPs is 8.6 ± 3.5 nm, while the particle size of GC-capped Ag NPs is 29.9 ± 4.3 nm, implying the presence of well-dispersed nanospheres with an average capsulation layer of thickness 10.7 nm. The phyto-capped Ag NPs were found to be crystalline, having a face-centered cubic (FCC) lattice structure and Ag crystallite size of ~7.2 nm, according to the XRD crystallographic analysis. The catalytic performance of phyto-capped Ag NPs in the removal of methylene blue dye by sodium borohydride (NaBH4) was investigated for 12 min to reach a degradation efficiency of approximately 96%. The scavenging activities of 2,2-Diphenyl-1-picrylhydrazyl (DPPH) free radicals are also examined in comparison to previously reported Ag-based nano-catalysts, demonstrating a remarkable IC50 of 26.88 µg/mL, which is the first time it has been recorded.

Recycling Rusty Iron with Natural Zeolite Heulandite to Create a Unique Nanocatalyst for Green Hydrogen Production.

Corrosion-induced iron rust causes severe danger, pollution, and economic problems. In this work, nanopowders of Fe2O3 and Fe2O3/zeolite are synthesized for the first time using rusted iron waste and natural zeolite heulandite by chemical precipitation. The chemical composition, nanomorphologies, structural parameters, and optical behaviors are investigated using different techniques. The Fe2O3/zeolite nanocomposite showed smaller sizes and greater light absorption capability in visible light than Fe2O3 nanopowder. The XRD pattern shows crystalline hematite (α-Fe2O3) with a rhombohedral structure. The crystallite sizes for the plane (104) of the Fe2O3 and Fe2O3/zeolite are 64.84 and 56.53 nm, respectively. The Fe2O3 and Fe2O3/zeolite have indirect bandgap values of 1.87 and 1.91 eV and direct bandgap values of 2.04 and 2.07 eV, respectively. Fe2O3 and Fe2O3/zeolite nanophotocatalysts are used for solar photoelectrochemical (PEC) hydrogen production. The Fe2O3/zeolite exhibits a PEC catalytic hydrogen production rate of 154.45 mmol/g.h @ 1 V in 0.9 M KOH solution, which is the highest value yet for Fe2O3-based photocatalysts. The photocurrent density of Fe2O3/zeolite is almost two times that of Fe2O3 catalyst, and the IPCE (incident photon-to-current conversion efficiency) reached ~27.34%@307 nm and 1 V. The electrochemical surface area (ECSA) values for Fe2O3 and Fe2O3/zeolite photocatalysts were 7.414 and 21.236 m2/g, respectively. The rate of hydrogen production for Fe2O3/zeolite was 154.44 mmol h-1/g. This nanophotocatalyst has a very low PEC corrosion rate of 7.6 pm/year; it can retain ~97% of its initial performance. Therefore, the present research can be applied industrially as a cost-effective technique to address two issues at once by producing solar hydrogen fuel and recycling the rusted iron wires.

Fabrication of ZnO/CNTs for Application in CO2 Sensor at Room Temperature.

Thin films of ZnO and ZnO/carbon nanotubes (CNTs) are prepared and used as CO2 gas sensors. The spray pyrolysis method was used to prepare both ZnO and ZnO/CNTs films, with CNTs first prepared using the chemical vapor deposition method (CVD). The chemical structure and optical analyses for all the prepared nanomaterials were performed using X-ray diffraction (XRD), Fourier transformer infrared spectroscopy (FTIR), and UV/Vis spectrophotometer devices, respectively. According to the XRD analysis, the crystal sizes of ZnO and ZnO/CNTs were approximately 50.4 and 65.2 nm, respectively. CNTs have average inner and outer diameters of about 3 and 13 nm respectively, according to the transmitted electron microscope (TEM), and a wall thickness of about 5 nm. The detection of CO2 is accomplished by passing varying rates of the gas from 30 to 150 sccm over the prepared thin-film electrodes. At 150 sccm, the sensitivities of ZnO and ZnO/CNTs sensors are 6.8% and 22.4%, respectively. The ZnO/CNTs sensor has a very stable sensitivity to CO2 gas for 21 days. Moreover, this sensor has a high selectivity to CO2 in comparison with other gases, in which the ZnO/CNTs sensor has a higher sensitivity to CO2 compared to H2 and C2H2.

Synthesis and Electrochemistry of Novel Dumbbell-Shaped Bis-pyrazolino[60]fullerene Derivatives Formed Using Microwave Radiation.

The design of covalently linked [60]fullerene dimers has gained increased attention, as the linked electron donors or acceptors are in close proximity to the surface of the C60, providing a valuable approach to novel molecular electronic devices. Herein, new compounds involving C60 dumbbells covalently connected by the π-conjugated system from azobenzene and diaryl ether linkers were synthesized following the bifunctional cycloaddition reactions to C60 using microwave radiation. The structural identity of the fullerene dimers has been determined using spectroscopic techniques including Fourier transform infrared (FT-IR), matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF), and NMR spectroscopy, and the photophysical and the electrochemical properties for the new dumbbells have been examined using UV-vis spectroscopy, fluorescence spectroscopy, cyclic voltammetry, and square wave voltammetry. Both new dimers show electronic interaction with the fullerene cage and higher electron affinity than the pristine C60.

Stem cell growth and proliferation on RGD bio-conjugated cotton fibers.

BACKGROUND: Merging stem cells with biomimetic materials represent an attractive approach to tissue engineering. The development of an alternative scaffold with the ability to mimic the extracellular matrix, and the 3D gradient preventing any alteration in cell metabolism or in their gene expression patterns, would have many medical applications. OBJECTIVE: In this study, we introduced the use of RGD (Arg-Gly-Asp) bio-conjugated cotton to promote the growth and proliferation of mesenchymal stem cells (MSCs). METHODS: We measured the expression of stem cell markers and adhesion markers with Q-PCR and analyzed the transcriptomic. The results obtained showed that the MSCs, when cultured with bio-conjugated cotton fibers, form aggregates around the fibers while proliferating. The seeded MSCs with cotton fibers proliferated in a similar fashion to the cells seeded on the monolayer (population doubling level 1.88 and 2.19 respectively). RESULTS: The whole genome sequencing of cells adhering to these cotton fibers and cells adhering to the cell culture dish showed differently expressed genes and pathways in both populations. However, the expression of the stem cell markers (Oct4, cKit, CD105) and cell adhesion markers (CD29, HSPG2 and CD138), when examined with quantitative RT-PCR, was maintained in both cell populations. CONCLUSION: These results clearly show the ability of the cotton fibers to promote MSCs growth and proliferation in a 3D structure mimicking the in vivo environment without losing their stem cell phenotype.

Synthesis and Electrochemistry of New Furylpyrazolino[60]fullerene Derivatives by Efficient Microwave Radiation.

Efficient one-pot synthesis of new series of furylpyrazolino[60]fullerene derivatives was prepared by [3 + 2] cycloaddition reaction mediated with (diacetoxyiodo)benzene (PhI(OAc)2) as an oxidant in o-dichlorobenzene (ODCB) under microwave irradiation. Different techniques have been used to confirm the structural identity including FT-IR, fast atom bombardment (FAB)-mass, NMR, and single-crystal X-ray diffraction, in addition to investigating the photophysical properties and the electrochemical properties for the new compounds using UV-Vis spectra, fluorescence spectra, cyclic voltammetry, and square wave voltammetry. Three of these pyrazolino[60]fullerene compounds showed better electron affinity than the parent C60 in the ground state.