Bismuth ferrite, BiFeO₃, a multiferroic perovskite oxide, has gained significant attention in the field of materials science due to its unique combination of ferroelectric and antiferromagnetic properties. This inherent dual nature makes it essential for various cutting-edge technologies, including non-volatile memories, spintronics, and energy harvesting devices. However, realizing its full potential requires the precise synthesis of high-purity bismuth ferrite nanoparticles. In this scholarly endeavor, we present a comprehensive exploration of the meticulous fabrication of bismuth ferrite nanoparticles using a microwave-assisted combustion method conducted in the solid-state regime. We utilized bismuth nitrate and iron nitrate as precursor materials, combined with an organic fuel amalgam consisting of ammonium nitrate and glycine. Achieving complete combustion through microwave irradiation required a detailed optimization process for the oxidant-to-fuel ratio and absolute quantities. Our research systematically investigated various fuel-to-oxidant ratios, including 1:1, 3:6, 6:3, and 12:12, all conducted under rigorously controlled microwave irradiation conditions. Subsequent characterization through infrared spectroscopy (IR), X-ray diffraction (XRD), and scanning electron microscopy (SEM) confirmed the successful synthesis of high-purity bismuth ferrite nanoparticles. Furthermore, optimizing the synthesis conditions resulted in nanoparticles with superior purity and structural integrity. In conclusion, we meticulously evaluated the photocatalytic properties of the synthesized bismuth ferrite nanoparticles, with a specific focus on their effectiveness in degrading malachite green. Our findings highlight the significant impact of carefully tailored combustion parameters on the photocatalytic performance of bismuth ferrite nanoparticles, positioning them as promising candidates for various environmental remediation and catalytic applications. This study advances our understanding of the custom synthesis of advanced photocatalytic materials, potentially fostering sustainable technological advancements.

Here, we report on the determination of the supramolecular adsorption of hydroxybenzoate derivates (GC toxins) of saxitoxin to pristine graphene surface using the computational method, MMFF94 Force Field implemented in the Chem Office package.

We use a simple model, GC molecule centre in the graphene surface, to simulate the interaction of GC molecule stacking on the graphene system avoiding edges interaction. We find that the formation of the GC–graphene complex is favourable for all GC molecules.

The results of our model are in good agreement with chromatographic elution results on the graphite surface, Hypercarb column. We predict that these aromatic saxitoxin derivatives possess higher adsorption energy than non-aromatic ones. π-π stacking can be regarded as being a prevalent contribution in front of non-aromatic analogues. Furthermore, MMFF94 adsorption results yield qualitative agreement with experiments within N-OH and N-H sub-families:

Computational model, the interaction energy values order is GC6-GC5-GC4-GC3-GC2-GC1 (the highest adsorption energy)

Experimental Hypercarb model, the elution order is GC3-GC6-GC2-GC5-GC4-GC1 (the highest retention time)

The proposed research MMFF94 framework works well in the assessment of chromatographic selectivity. This simple model has potential for use in predicting the qualitative interactions of small polar molecules and graphene which sheds light on the application of computational techniques to help in analytical method development.

The research focused on standardizing Ayurvedic formulations, specifically targeting Triphala churna, a complex multi-ingredient traditional medicine. In the context of increasing interest in Ayurveda's potential medical benefits, this study addresses the critical need for comprehensive guidelines as to those in allopathic medicine for formulating, ensuring quality, establishing safety profiles, and assessing efficacy in Ayurvedic preparations.The primary objective is to standardize Triphala churna using High-Performance Thin-Layer Chromatography (HPTLC) and to evaluate the formulation's stability and quality, Forced Degradation studies were performed according to ICH guideline Q1A(R2) and Q 2 (R1), focusing on two marker compounds, Gallic acid, and ascorbic acid. There was a comparative analysis between an in-house Triphala churna preparation and a commercially available product to determine the concentration of these marker compounds.The study reveals specific wavelengths for marker compounds and demonstrates a decrease in their concentrations after forced degradation. The significance of standardizing Ayurvedic formulations to ensure their quality, efficacy, and safety. It also highlights the successful development of a validated method to assess the stability profile of Triphala churna. The mobile phase Toluene:Ethyl acetate:Formic acid (6:3:1) was selected for HPTLC due to its efficient separation capabilities.The research indicates that Gallic acid remains stable under acidic and oxidative conditions but not under alkali hydrolysis, in accordance with ICH guidelines. Ascorbic acid's stability under basic and oxidative conditions warrants further investigation. Overall, this study makes a valuable contribution to advancing the standardization of Ayurvedic formulations, with promising results regarding Triphala churna's stability under various stress conditions, including ICH-compliant testing methodologies.

DESs is a promising green solvent and has found application in many industries such as pharmaceutical, electrochemical, water treatment, catalysis, and petroleum industry for drilling as shale inhibitors and mud loss control, in flow assurance as wax and asphaltene inhibitors and gas hydrate formation mitigations, and as promising chemicals for enhanced oil recovery as surface active and viscosity modifying agents for interfacial tension reduction and mobility control (Sharma et al., 2023; Sanati et al 2022; El-hoshoudy et al., 2019). DESs that meet the criteria to be used as EOR agents to recover the residual oil trapped in the reservoir should possess interfacial tension reduction, wettability alteration properties, sweep and favorable mobility control (Atilhan & Aparicio, 2021). The combination of these aforementioned properties amount to resulting EOR performance obtainable for a potential DES. In this study, the use of established strategy for building and investigating DES formation from their respective HBA and HBD in our previous studies (Uzochukwu et al., 2023) was employed. Further study to evaluate the DES performance in EOR applications was computationally investigated. Our study innovated a unique screening method for easing the selection of DESs for potential application for EOR, using a quantum chemical calculation. This strategy will serve as a quick check and reduce trial and error and material wastage in exploring which combination of HBA and HBD will form energetically stable DES and their potential capacity for EOR performance and recovering additional oil.

In this work, both samples MgNiAl– LDH and MgNiFe–LDH hydrotalcites were utilized to remove the anionic dye Congo Red (CR) from an aqueous solution. Samples characterization was carried out by X-ray diffraction (XRD), infrared spectroscopy (IR) and Thermogravimetric/Differential Scanning Calorimetry (TG/ DSC). Various parameters were investigated, including the initial dye concentration, adsorbent mass, contact time, solution pH,
and temperature. Using classical pseudo-first-order, second-order, and intraparticle diffusion models, adsorption kinetics were investigated. The dynamical data fit well with the pseudosecond order kinetic model. The equilibrium adsorption data were analyzed using three linear adsorption models: Langmuir, Freundlich and Temkin. The findings showed that the Langmuir isotherm adequately predicts experimental results with an ideal correlation coefficient. The isothermal Langmuir model revealed a maximum adsorption capacity of qmax of 5548 mg/g for the MgNiFe–LDH and of 4043mg/g for MgNiAl-LDH. This result is very useful when selecting sorbents to improve removal technology in the aquatic environment

Introduction:

Reports indicate that there are conflicting results in clinical studies on the regulation of vitamin E (the α isoform) of allergic inflammation. They also strongly recommend considering the dietary intake of tocopherols because the γ isoform is more abundant in Western diets. On the other hand, the reverse phase HPLC technique does not distinguish between the two isomers β and γ but it has been widely used; as if the majority of vegetable oils were devoid of β-tocopherol.

Computational details:

Structures and stabilities are obtained with DFT and PM3. The natural orbitals of the bonds (NBO) calculations were carried out using the program NBO.

Results and discussion:

Comparison of results in the two media (gaseous and aqueous) permitted the following conclusions:

• The two iso-forms β and γ remain almost the same stability.
• The transfer of electrons takes place in the direction: α < β < γ < δ in the gaseous and aqueous medium.
• A difference in electronegativity for β and γ isoformsis clearly visible.

Our results may contribute to understand the behavior of tocopherols in reaction media, in particular their toxicities.

The growing demand for innovate routes to develop functional textiles initiated the necessity of new molecules. Azo dyes are the most important synthetic colorants which have been widely used in textile manufacturing.

From a chemical perspective, azo derivatives consist of aryl/alkyl and –N=N– groups, which are usually synthesized by diazotization of a primary aromatic amines and the coupling of the diazonium salts obtained with a generally activated aromatic substrates. The azo reactive dyes are generally characterized by having chemical groups capable of forming covalent bonds with the textile substrates, through a certain dye activation process.

Therefore, a series of azo dyes containing eugenol, the major phenolic compound in clove (Syzygium aromaticum) essential oil, were synthesized by coupling reactions of diazonium salts of different amines based on 3-aminobenzoic acid. The new eugenol-based azo dyes were full characterized by the usual analytical techniques and dyeing was then carried out on polyamide to determine its fastness and staining under washing conditions.

We have recently developed a method for the synthesis of 3R-substituted and norbornane-annelated 1H-phospholanoxides based on the reaction of replacement of aluminum atoms in alumolane with phosphorus atoms by phosphorus trichloride. . In development of our research, we have established that the use of PBr3 as a phosphorus reagent also successfully allows us to obtain target 1H-phospholanoxides.

Stereoselective synthesis of (7Z,11Z)-octadeca-7,11-diene-1,18-dioic acid was carried out using reaction Ti-catalyzed homo-cyclomagnesiation of 2-(nona-7,8-dien-1-yloxy)tetrahydro-2H-pyran. By intermolecular esterification of dicarboxylic acid with polyether acetylene alcohols in the presence of DCC and DMAP, the corresponding diesters were synthesized in good yields (67-75%). Based on symmetric diesters with terminal triple bonds, polyether macrodiolides containing conjugated triple bonds and pharmacophoric 1Z,5Z-diene fragments in their structure were synthesized for the first time.

Five-membered saturated metallacarbocycles represent a large family of organometallic compounds, which are frequently postulated as reactive intermediates in catalysis or as precursors for the synthesis of a wide range of functionally substituted compounds, therefore, their NMR spectral data are incomplete and not systematized. Metallacarbocycles for Main III Group metals, which are spectroscopically characterized, are described in this article. Among these, of particular interest are 1-ethyl-3-substituted alumolanes, 3-spiro-substituted polycyclic alumolanes and nonbornen annelated alumolanes, which are supposed to be formed in alkene cycloalumination with AlEt₃ catalyzed by Cp₂ZrCl₂. Conformational analysis upon inversion of a five-membered ring for mono and polycyclic alumolanes is presented.