X-ray Diffraction Analysis Research Articles

New Chlorine-Containing Sesquiterpenoid from Artemisia Blepharolepis.

One new chlorinated sesquiterpenoid (compound 1, ablepharolide) and twenty-one known compounds were obtained from the aerial parts of Artemisia blepharolepis. Their structures were established by spectroscopic methods and the absolute configuration was further determined by single-crystal X-ray diffraction analysis for ablepharolide. Ablepharolide is a rare sesquiterpenoid with a 4-methyl-7-isopropyl-9-ethyl-perhydroindene skeleton that incorporates a chlorine atom. It significantly inhibited the growth of MCF-7 cells with IC50 value of 8.34±0.77 μM. Further investigations demonstrated that ablepharolide induced morphological changes in MCF-7 cells, inhibited proliferation in a time- and dose-dependent manner. Furthermore, western blot analysis revealed that ablepharolide induced a significant increase in cleaved caspase-8, cleaved caspase-3 and cleaved poly(ADP-ribose) polymerase (PARP) in MCF-7 cells. All of these results supported that ablepharolide induced exogenous apoptosis in MCF-7 cells.

Enhancing shielding efficiency of ordinary and barite concrete in radiation shielding utilizations

Concrete has been widely utilized as a radiation shielding material due to its properties and structural integrity. This study aims to evaluate the efficiency of ordinary concrete versus barite concrete as radiation shielding materials, focusing on the physical aspects and changes in crystal size lattice parameters after neutron irradiation. Specifically, the research investigates the shielding effectiveness of these materials across different grades (M15, M25, M35, and M45) against gamma-ray sources Cobalt-60 and Caesium-137. The methodology involves measuring the linear attenuation coefficient (μ), half value layer (HVL), tenth value layer (TVL), and mean free path (MFP). Additionally, X-ray diffraction (XRD) was employed to assess crystallite size and lattice parameter changes post-irradiation for neutron irradiation. Results indicate that incorporating barite as an aggregate significantly enhances the density and crystallite macroscopic properties of the concrete. Irradiation with Cobalt-60 and Cesium 137 revealed that ordinary concrete has a lower linear attenuation (μ) ranging from 0.172 to 0.195 cm−1, with consistent mass attenuation across all grades at 0.81 cm2/g. XRD analysis demonstrated a rightward shift in the SiO₂ and BaSO₄ peaks post-irradiation, signifying crystalline expansion. In terms of lattice parameters, the d-value showed a notable decrease of 0.10 after 48 h of irradiation in grade 25, while the most significant increase of 0.02 occurred after 24 h of irradiation in grades 15 and 45. In conclusion, barite concrete proves to be more effective for radiation shielding in nuclear facilities, whereas ordinary concrete is suitable for medical shielding, or facilities exposed to lower radiation doses.

Development of graphitic and non-graphitic carbons using different grade biopitch sources

The growing demand for bio-renewable alternatives to fossil fuels in the production of sustainable carbon materials, aimed at reducing environmental impact, is crucial for advancing a greener future. This research explores an innovative approach for producing biopitches from bio-oils, which are subsequently utilized as a sustainable precursor for developing advanced graphitic carbons (GC) and non-graphitic carbons (NGC) through carbonization and graphitization processes. The study emphasizes the impact of the chemical composition of bio-oils and biopitches, including heteroatom structures, aromatic/aliphatic ratio, and oxygen content with oxygen-bearing functional groups, on the production of GC and NGC. The research also examines their structural parameters at various heating temperatures using characterization techniques such as X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), and Raman spectroscopy. XRD analysis revealed that GC samples have lower interplanar spacing (d002) and larger crystallite size than NGC, while Raman shows more short-range order and defects in NGC. Furthermore, HRTEM images and fringe analysis demonstrated differences in lamellae structures, tortuosity, and fringe length. These observations, unveiling differences in crystallite size and degree of graphitization between GC and NGC, underscore the influence of temperature on structural order and defect annealing, which is crucial for optimizing material properties.

Effects of Li concentration in the precursor solution on NiO thin films deposited using electrostatic spray deposition

Abstract Undoped and Li-added NiO thin films were deposited using electrostatic spray deposition (ESD) techniques. Initially, the NiO thin films displayed minimal contamination, predominantly C and H. The NiO thin films exhibited a flat surface morphology comprising grains of uniform size, approximately 20–30 nm in diameter, and reliable crystal growth, with a full width at half maximum of approximately 0.30 in X-ray diffraction analysis. Moreover, the NiO/ZnO diode demonstrated superior properties when a 5 at. % Li concentration solution was incorporated. The rectification ratio reached approximately 2.3 × 10³ at ± 1.0 V, with an ideality factor of 1.9. Additionally, the NiO/ZnO diodes exhibited remarkable photovoltaic properties even without detailed optimization. These findings underscore the potential of ESD in advancing semiconductor thin-film technology, thereby paving the way for more cost-effective and scalable production methods.

Probing structural and electrochemical properties of a 2D CoMoO4@hBN nanocomposite as pseudocapacitive electrode for high-performance supercapacitors

The effectiveness of energy storage is largely determined by the electrode material's performance in critical areas. Enhancements in ion transport, cyclic stability, rate capability, and specific capacitance directly boost the supercapacitors' overall performance and broaden their application potential. This study aims to enhance these properties by incorporating hexagonal boron nitride (hBN) into cobalt molybdate (CoMoO4) material in a 1:1 stoichiometric ratio. The CoMoO₄@hBN nanocomposite was synthesized using a hydrothermal method followed by ball milling. The X-ray diffraction (XRD) analysis confirmed the formation of a single-phase CoMoO4@hBN composite, with a significant increase in crystallite size from 18.21 nm in pure CoMoO₄ to 25.6 nm, along with a slight shift in diffraction peaks, indicating enhanced crystallinity and structural defects due to the substitution of oxygen with boron atoms. Raman spectroscopy revealed that the composite retains the characteristic peaks of both CoMoO₄ and hBN, with stable sharp peaks at 936 cm−1 (Mo=O bond) and 1367 cm−1 (E2g peak of hBN) even after 20 depth measurements, confirming successful conjugation and consistent vibrational properties. The X-ray photoelectron spectroscopy (XPS) showed a slight shift in Co 2p and Mo 3d binding energies to higher values, suggesting improved electronic interactions between CoMoO4 and hBN, which could enhance the composite's conductivity. The electrochemical analysis demonstrated that incorporating h-BN significantly boosts the electrode's performance compared to pristine CoMoO4, with about 37 % increase in specific capacitance at 1 A g−1, reduced charge transfer resistance (0.11 Ω), and superior cyclic stability with 96 % capacitance retention after 5000 cycles. These findings indicate that hBN enhances both the electrical conductivity and structural integrity of CoMoO4, positioning the CoMoO4@hBN composite as a promising material for high-performance supercapacitors.

Unveiling the anticancer potential: Exploring 4-fluoro benzoic acid and piperazine through spectroscopic, X-ray diffraction, DFT and molecular docking analysis

The crystalline substance formed from piperazine and 4-fluorobenzoic acid (PZ-PFBA) was successfully synthesized. This synthesis involved the transfer of protons between the selected acid and base, resulting in the formation of distinct crystalline salt. The SCXRD analysis conforms the salt crystallized in a monoclinic crystal system with a P 21/c space group and lattice parameters are a = 13.0688(14) Å, b = 8.2686(8) Å, and c = 8.2552(9) Å. Hirshfeld surface analysis, a technique for quantifying molecular interactions, was employed to investigate the prepared crystalline salt. Additionally, the salt was subjected to further examination using FT-IR, 1H NMR, 13C NMR, and SCXRD studies. The crystalline salt has major and established biological actions that inhibit the human lung cancer cell line A549. In vitro, and Insilico anticancer tests show that PZ-PFBA has better efficacy against the human cervical cancer cell line (HeLa) and in bioinformatics analysis. PZ-PFBA demonstrated more efficacy in reducing pathogenic strains compared to its parent reactants.

Optimized architectural engineering and interface modulation in metallic-phase selenide for exceptional sodium-storage performance

Transition metal selenides (TMSs) exhibit promise as anode materials for sodium-ion batteries (SIBs) due to their high specific capacity and diverse electronic properties. However, practical implementation faces challenges such as structural deterioration, solid-electrolyte interphase (SEI) instability, and diminished coulombic efficiency, especially at the nanoscale. Here, we introduce a novel approach that combines surface engineering of Fe3Se4 with an interface engineering strategy (Fe3Se4@NC) to effectively address these issues. By incorporating engineered void spaces and an electrolyte-blocking layer within micrometer-sized secondary clusters, Fe3Se4 nanoparticles gain the ability to expand and contract freely during cycling, thereby preserving interparticle connections and enhancing the structural integrity. The synergy of surface engineering with a nitrogen-doped carbon layer and interface engineering through electrolyte modulation leads to an outstanding 95.1 % initial Coulombic efficiency in the Fe3Se4@NC electrode. Even after 2000 cycles at 5 A g−1, the electrode retains over 89.2 % of its initial capacity with an average specific capacity of 450 mAh g−1. In situ transmission electron microscopy (TEM) and in situ X-ray diffraction (XRD) analysis shed light on the structural evolution and sodiation dynamics during charge/discharge process. Experimental investigations and DFT calculations provide a comprehensive understanding of the SEI composition and the structural stability of the composite.

Silk Fibroin/Poly(1,4-Butylene Succinate) Composite with Improved Thermostability and Cytocompatibility

This paper describes our research on a facile and effective approach to fabricate novel silk fibroin/poly(1,4-butylene succinate) (SF/PBS) composites for the first time. Scanning electron microscopy (SEM), infrared spectra (IR), X-ray diffraction (XRD) and Thermogravimetric analysis (TGA) were used to investigate the morphology, chemical structure, crystalline state, thermostability and possible interactions of SF with PBS for the SF/PBS composites. In addition, the determinations of the EC109 cell viability was also been completed to explore the influence of SF/PBS mass ratio on cytocompatibility. Because of the composite of SF with the PBS, the thermostability and cell viability of the SF/PBS composites were higher than those of neat SF material. However, SF did not chemically react with PMMA during the formation of the composite, and SF hardly interacts with PBS in the composite.

Supercapacitor performance of pure and Ni-doped CuO electrodes prepared by USP

Abstract In this study, the ultrasonic spray pyrolysis (USP) technique was employed to fabricate pure and 3% Ni-doped copper oxide (CuO) thin films (TFs) on In2O3/SnO2 (ITO) coated glass substrates. X-ray diffraction (XRD) analysis revealed that both pure and 3% Ni-doped CuO TFs exhibit a polycrystalline structure with the tenorite phase oriented preferentially along the (111) plane. The morphological properties of these TFs were characterized using scanning electron microscopy (SEM) and atomic force microscopy (AFM) imaging. Energy dispersive x-ray spectroscopy (EDX) confirmed that the deposited TFs achieved the desired stoichiometry. The electrochemical properties of both pure and 3% Ni-doped CuO TFs were evaluated using cyclic voltammetry (CV), galvanostatic charge/discharge (GCD), and electrochemical impedance spectroscopy (EIS). At a current density of 1 A g−1, the specific capacitance of pure CuO TFs was found to be 78 F g−1, decreasing to 2 F g−1 at 10 A g−1. In contrast, Ni-doped CuO TFs exhibited a specific capacitance of 722 F g−1 at 1 A g−1 and 20 F g−1 at 10 A g−1. These results indicate that Ni-doping significantly enhances the specific capacitance values. The superior performance of Ni-doped CuO electrodes is attributed to their uniformly high porosity and improved electrical conductivity, demonstrating Ni-doped CuO as an optimal electrode material for pseudocapacitors.

Synthesis mechanism of TiO2 nanoparticles via high frequency electrical arc discharge

Abstract The rapid advancement of nanofabrication techniques has significantly increased the utilization of nanoparticles in recent years. This study investigates the synthesis of titanium dioxide (TiO₂) nanoparticles, highlighting their unique properties and diverse applications across scientific and industrial fields. These nanoparticles are valued for their biocompatibility and advantageous optical, electrical, and physical properties. Various synthesis methods—chemical, physical, and biological—are reviewed, with a particular focus on the electric arc discharge method. This method is distinguished by its efficiency and environmental friendliness, enabling the production of highly pure nanoparticles. Utilizing continuous and alternating sparks between two electrodes, the technique generates spherical nanoparticles with adjustable sizes, controlled by the energy of each spark. An RC circuit-based device was designed for this electrical discharge process. Dynamic light scattering (DLS) measurements revealed an average particle size of 164.51 nm with a standard deviation of 44.08 nm. Field emission scanning electron microscopy (FESEM) images showed both solid and hollow spherical TiO2 nanoparticles. Energy dispersive spectroscopy (EDS) confirmed that the TiO2 particles contained only titanium and oxygen, with no other elements detected. X-ray diffraction (XRD) analysis verified the crystal structure, predominantly identifying the anatase phase of the synthesized nanoparticles. This research enhances the understanding of TiO2 nanoparticle synthesis and characterization, providing a foundation for future innovations in their extensive applications.

Synthesis and characterization of Er2O3-doped Y2O3 nanoparticle incorporated optical fiber for use as optical amplifier

Erbium oxide (Er2O3)-doped optical fibers (EDF) are well-known for their applications in optical amplification at 1550 nm. In this study, we present the synthesis of Er2O3-doped yttrium oxide (Y2O3) nanoparticles (NPs) using a homogeneous coprecipitation technique and their integration into optical fibers for enhanced optical amplification. A series of NP samples with varying Y/Er molar ratios were synthesized to identify the optimal composition for incorporation into optical fibers. X-ray diffraction (XRD) analysis revealed that the nanoparticles crystallize in a cubic geometry (space group Ia3) with crystallite sizes ranging from 20 to 41 nm. These sizes increased approximately to 90 nm as the calcination temperature was raised from 1000°C to 1400°C. Field emission scanning electron microscopy (FESEM) corroborated the XRD results, while high-resolution transmission electron microscopy (HRTEM) confirmed the crystalline structure and an average particle size of approximately 100 nm. Photoluminescence studies showed that emission and excitation intensities were functions of the Y/Er molar concentration ratio and calcination temperature, with the lifetime extending up to 6.86 ms for a sample with a 0.25:0.01 Y2O3:Er2O3 ratio calcined at 1400°C. To assess the performance of the synthesized NPs, an optical preform was prepared using the Vapor Phase Delivery (VPD) method combined with the Solution Doping (SD) technique. The preform was then drawn into fiber, and its amplification performance was evaluated. The resulting fiber demonstrated efficient amplification with a gain of 14.9 dB with respect to 0 dBm input signal at 1550 nm under 150 mW pump power from 9 m active fiber, indicating its potential as a gain medium for constructing erbium-doped fiber amplifiers (EDFAs).

Nacre-Inspired Nanocomposites from Natural Polypeptide ε-Poly-l-Lysine and Natural Clay Montmorillonite: Remarkable Reinforcing Effect at Low Polymer Content and Its Mechanism.

Nanocomposites composed of the cationic polypeptide ε-poly-l-lysine (ε-PL) and natural sodium montmorillonite (MMT) were prepared and evaluated. These MMT/ε-PL composites formed highly ordered nanostructures resembling natural nacreous layers by a simple process. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) analyses confirmed that a small amount of ε-PL remarkably enhanced the MMT orientation in the composites. This MMT orientation-enhancing effect of ε-PL was more pronounced than that of poly(vinyl alcohol) (PVA), which is one of the most popular ingredients of MMT-based composites. The orientation enhancement provided by ε-PL was primarily driven by ionic interactions and responsible for high mechanical properties at low polymer content. This remarkable reinforcing effect of ε-PL on MMT at a low polymer content will help to develop high-performance and sustainable nacreous composites. In addition, it improves our understanding of the reinforcing mechanism of natural nacre, which exhibits excellent mechanical properties even with relatively small amounts of organic component.

Microbial Reduction of Geogenic and Synthetic Goethite and Hematite

The microbial reduction of Fe(III) is a major component of Fe cycling in terrestrial and aquatic environments and is affected by the Fe(III) mineralogy of the system. The majority of the research examining the bioreduction of Fe(III) oxides by Fe(III)-reducing bacteria (IRB) has focused on the reduction of poorly crystalline Fe(III) phases, primarily ferrihydrite; however, crystalline Fe(III) oxides like goethite (α-FeOOH) and hematite (α-Fe2O3) comprise the majority of Fe(III) oxides in soils. This study examined the bioreduction of goethite and hematite of geogenic and synthetic origin by Shewanella putrefaciens CN2, a well-studied model IRB, in laboratory incubations. Overall, the rate and extent of Fe(II) production were greater for goethite than for hematite, and for geogenic Fe(III) oxides relative to their synthetic analogs. Although there was substantial production of Fe(II) (i.e., >5 mM Fe(II)) in many of the systems, X-ray diffraction analysis of the solids at the end of the incubation did not indicate the formation of any Fe(II)-bearing secondary minerals (e.g., magnetite, siderite, green rust, etc.). The results of this study demonstrate the variability in the extent of bioreduction of geogenic goethite and hematite, and furthermore, that synthetic goethite and hematite may not be good analogs for the biogeochemical behavior of Fe(III) oxides in aquatic and terrestrial environments.

Dibenzo-peri-Heptacene: A Stable Open-Shell Graphene Fragment With a Balanced Combination of Armchair and Zigzag Edge Structures.

Atomically precise open-shell graphene fragments, such as extended peri-acenes, hold significant interest for electronics and spintronics. However, their inherent high reactivity poses challenges for synthesis and application. In this study, a novel approach is introduced: the fusion of a zigzag-edged peri-tetracene with an all-armchair-edged hexa-peri-hexabenzocoronene (HBC) via two shared benzene rings to produce a stable open-shell hydrocarbon, named dibenzo-peri-heptacene (DBPH). The DBPH derivative 1 exhibits considerably enhanced stability, with a half-life (t1/2) of 46 days in toluene solution under ambient conditions. This improved stability is attributed to peri-benzannulation, enhanced aromatic stabilization, and kinetic protection of the reactive sites along the zigzag edges. The structure of 1 is unequivocally verified through single-crystal X-ray diffraction analysis. With a balanced combination of armchair and zigzag edge structures, derivative 1 displays a diradical character of 39.2% and a singlet-triplet gap of ≈-3.16 kcalmol-1. It features a narrow electrochemical energy gap (0.87 eV) and exhibits amphoteric redox behavior. Notably, its dication and dianion states manifest a closed-shell singlet ground state, representing doubly charged structures where a HBC unit is fused with a benzo[f]tetraphene moiety. This research paves the way for synthesizing novel open-shell graphene fragments with adjustable electronic properties and exceptional stability.

Impedance Spectroscopy of Lanthanum-Doped (Pb0.75Ba0.25)(Zr0.70Ti0.30)O3 Ceramics

This study examines the effects of La3+ doping on (Pb0.75Ba0.25)(Zr0.70Ti0.30)O3(PBZT) ceramics, which were synthesized using the conventional solid-state reaction method. X-ray diffraction analysis confirmed that the PBZT structure, including PBZT doped with La3+ at concentrations x = 1 at.% and x = 2 at.%, exhibited a rhombohedral (R3c) space group, while higher doping levels of x = 3 at.% and x = 4 at.% led to a dominant cubic (Pm-3m) phase with approximately 30% of a remnant rhombohedral component. Scanning electron microscopy (SEM, JEOL JSM-7100F TTL LV, Jeol Ltd., Tokyo, Japan) and energy dispersive X-ray spectroscopy (EDS) were utilized to investigate the structure and morphology of these ceramics. The findings indicated that the chemical composition of the ceramic samples closely corresponded to the initial stoichiometry of the ceramic powder. An increase in the amount of lanthanum results in a decrease in the average grain size of the ceramics. The electrical properties were further evaluated using complex impedance spectroscopy (IS) over a range of temperatures and frequencies, as well as temperature dependence of DC conductivity. The similarity in the changes in activation energy for DC conductivity and grain boundary conductivity, caused by lanthanum ion modification, allows for the conclusion that grain boundaries are the primary microstructural element responsible for conductivity in these materials.

Outstanding performance of Co-doped ZnS nanoparticles used as nanocatalyst for synthetic dye degradation

In this work, fabrication of pure and cobalt (Co) doped zinc sulfide (ZnS) nanoparticles were carried out via facile co-precipitation technique using thioglycolic acid as a surfactant. The synthesized nano powders were employed to characterize using various techniques like X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy and UV–Vis spectroscopy, to elucidate the alterations in the structure and morphology of nanomaterials. The XRD analysis revealed wurtzite phase of fabricated nanoparticles. Inclusion of Co dopants failed to modify the lattice structure of host material. Analysis of UV–Vis spectroscopy indicates intensive absorption in the visible region upon doping. FTIR spectroscopy was employed to identify functional groups affiliated with molecular vibrations. The photoactivity and kinetics of photo-products were evaluated by monitoring degradation of methylene blue (MB) by solar irradiation. Photodecomposition of MB was significantly increased when Co doped ZnS was employed relative to pristine ZnS. This novel technique of doped ZnS nanoparticles provide an effectual and sustainable route for treatment of wastewater.

Optimization of Crystal Structures in Polylithionite Concentrate: A Molecular Dynamics Approach to Lithium Extraction Efficiency

Molecular dynamics (MD) techniques offer significant potential for optimizing mineral extraction processes by simulating economically or physically restrictive conditions at the laboratory level. Lithium, a crucial metal in the electromobility era, exemplifies the need for ongoing re-evaluation of extraction techniques. This research aims to simulate the crystal structures of mineral species present in a polylithionite mineral concentrate [KLi2Al(Si4O10)(F,OH)2] using crystallographic data obtained from X-ray diffraction analysis. This study focuses on optimizing these structures, validating them through density comparisons, and determining the interaction parameter between the identified phases and lithium oxide (Li2O). The X-ray diffraction analysis revealed five predominant mineral phases: quartz (SiO2), calcite [Ca(CO3)], pyrite (FeS2), cassiterite (SiO2), and a compound Pb6O2(BO3)2SO4. Structural data, including lattice parameters, space groups, and atomic coordinates, were used to construct the crystal structures with Materials Studio 8.0, employing the Crystal Builder module. Optimization was performed using the Forcite module with the Smart optimization algorithm and the Universal force field. The interaction parameter (χ) indicated an affinity between lithium oxide and pyrite, as well as between calcite and quartz.

A facile and greener approach for synthesis of lignin capped-silver nanoparticles (LS-AgNPs) and assessment of their antibacterial and antioxidant properties

Silver nanoparticles have garnered significant attention in research due to their numerous advantageous qualities, such as antimicrobial, antioxidant, and anticancer activities. Several methods have been employed previously to produce these nanoparticles, but green synthesis has gained prominence due to its lack of harmful by-products. In this study, stable and biocompatible lignin-capped silver nanoparticles (LS-AgNPs) have been synthesized using a green approach that utilized nontoxic sodium lignosulfonate as both the reducing and capping agents. Various process parameters, such as pH, temperature, time, and raw material concentration have been optimized to simplify, accelerate and mould the synthesis activity easy and eco-friendly. The morphology and dimensions of the prepared lignin-capped silver nanoparticles (LS-AgNPs) have been characterized using UV–Vis spectroscopy, particle size analyser, X-ray diffraction analysis, Fourier transform infrared spectroscopy and Transmission Electron Microscopy. The produced nanoparticles have an average diameter of 24 nm and a FCC crystalline structure that is capped with lignin components. MBC of LS-AgNPs has been found 4 and 6 ppm against S. aureus and E. coli bacteria, respectively. The IC50 value for antioxidant property has been found 34.37 μg/mL. In summary, the prepared LS-AgNPs have exhibited a synergistic effect resulting from the combination of lignosulfonate and silver particles. The synergistic effect not only enhances antimicrobial activity and antioxidant property remarkably, this approach enables the utilization of biobased silver nanoparticles for various applications with its requirement of minimal quantity to have much lowered toxicity compared to pure silver nanoparticles.

Synthesis, crystal structure, hirshfeld surface analysis, and computational studies of dimeric and polymeric cadmium complexes

In the current investigation, a new dimeric [Cd(DNBA)2(py)2]2 and a polymeric [Cd(DNBA)2(pyz)2]n cadmium complexes have been prepared by the reaction of 3,5-dinitrobenzoic acid (main ligand), nitrogen donor auxiliary ligands (pyridine and pyrazine), and Cd(II) sulphate in aqueous media. The crystal structures of the synthesized compounds were determined by single-crystal X-ray diffraction analysis. The crystal structures were investigated in terms of the coordination geometry, dihedral angles between various rings, and intermolecular interactions. The solid-state assembly was stabilized by various interatomic contacts, explored by Hirshfeld surface analysis. Void analysis was performed to predict the response of crystals to the applied stress. The optimized molecular geometries of the compounds were achieved utilizing the DFT approach along with the B3LYP functional/6–311G(d,p)/LANL2DZ basic set. MEP maps, molecular orbital theory, and quantum chemical parameters for the synthesized compounds were generated using the same level of theory.

Improved kitchen wastewater treatment using PbO2-coated graphite electrode

This study investigates the electrochemical treatment of kitchen wastewater (KW) using a PbO₂-coated graphite (G-PbO₂) electrode prepared via ultrasound-assisted electrochemical deposition. The G-PbO2 electrode was characterised through various techniques, including X-ray diffraction analysis (XRD), X-ray photoelectron spectroscopy (XPS), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and scanning electron microscopy (SEM), confirming the successful deposition of PbO₂ and enhanced catalytic activity. Under optimal conditions (current density 0.75 Adm−2, electrolyte concentration 1.5 gL-1, electrode distance 2 cm, and pH 3), the G-PbO₂ electrode achieved a 94 % COD reduction with an energy consumption of 0.002 kWh gCOD−1. These results highlight the superior performance of the electrode in COD removal, accompanied by low energy consumption.