Chemical Papers最新文献

Although various substances have been used to coat chemical fertilizers to slow or control their release, finding the best substance and optimal performance conditions is still essential. The granular chemical fertilizer (N20, P5, K10) was coated using four kinds of bio-oil (prepared by the pyrolysis method) and the results were compared. Straw bio-oil had better coating properties on the surface of the chemical fertilizer. According to the IC analysis results, the amount of nutrients released from chemical fertilizer coated by straw bio-oil decreased by 78.5% in the first 24 h in comparison with the core fertilizer. To find better conditions for the coating process, chemical fertilizer granules were coated with straw bio-oil at three different temperatures (400 ℃, 500℃, and 600 ℃). Finally, the results showed that coating chemical fertilizer with straw bio-oil at 600 ℃ could improve the quality of the covering layer.

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A series of soft magnetic electroceramics with the general formula Co_0.8Ni_xCu_0.2−xFe₂O₄ (x = 0.00, 0.10, and 0.20) were successfully synthesized via the sol–gel auto-combustion method, and their structural, morphological, magnetic, dielectric, and electrochemical properties were systematically investigated. X-ray diffraction confirmed the formation of a single-phase cubic spinel structure in all samples, while Fourier transform infrared (FTIR) spectroscopy further supported the presence of spinel-type bonds. Scanning electron microscopy revealed porous and agglomerated grain morphologies, and energy-dispersive X-ray (EDX) spectroscopy verified the elemental purity and stoichiometry of the synthesized ceramics. X-ray photoelectron spectroscopy was employed to analyze cation distribution and oxidation states within the spinel lattice. Magnetic properties were evaluated using a vibrating sample magnetometer, and dielectric behavior was examined using an LCR meter across the frequency range of 1 Hz to 10 MHz at room temperature. Electrochemical impedance spectroscopy measurements were performed using a potentiostat galvanostat equipped with a frequency response analyzer, providing insights into charge transfer and ion diffusion behavior. Among the studied compositions, Co_0.8Ni_0.1Cu_0.1Fe₂O₄ exhibited the most favorable combination of magnetic softness, high dielectric constant, low dielectric loss, and characteristic Warburg-type impedance response, indicating efficient ion transport and capacitive behavior. These results highlight its potential as a multifunctional electro ceramic material suitable for use in energy storage devices.

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Coro-graphene is a two-dimensional carbon-based material with a narrow band gap. It has intriguing electronic characteristics that are more susceptible to external strain and doping, thereby making them an excellent choice for nanoelectronics as well as optoelectronics. We employ Djoković–Winkler relation to characterize the molecular topological networks of the coro-graphene nanosheets through distance-based descriptors. The work presents generalized expressions for distance-based topologies such as Szeged, Padmakar-Ivan, and Mostar types descriptors of coro-graphene nanosheets along with their novel weighted variants. We demonstrate through scaled natural logarithmic topological parameters that the network metamorphosis, irregularity and peripherealities can be characterized which can provide novel insights into reactivities and morphological changes as a function of the topologies of coro-graphenes.

Nitrogen-containing heterocycles are crucial in agrochemicals, material science, pharmaceuticals, and biologicals process, making them a major focus of research and development. The present review outlines recent methods for the synthesis of 1,2,3-triazolines through cycloaddition and their different properties published over the past decade. The supplied data demonstrate the various routes to synthesize 1,2,3-triazolines core such as 1,3-dipolar cycloaddition of azide/alkene or diazo group compound/Schiff base. This highlights the vast potential of these heterocycles derivatives for the design of potent bioactive molecules.

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We examine degree-based topological co-indices in this paper for the network of titanium diboride ((TiB_2)) and statistically analyze them. We examine complexity, connectedness, and stability in the network of ((TiB_2)) using mathematical and computational techniques to identify important co-indices, such as ABC, GA, HM, and other polynomial-based indices. To determine the molecular and structural properties of materials, topological co-indices are needed. The paper emphasizes the relevance of these indices to materials science by examining deeper into correlations between them and the physical properties of ((TiB_2)). The network’s topological structure for titanium diboride can be better explained because of statistical distribution and numerical comparison among these indices. Our results promote computational material design by demonstrating the effectiveness of degree-based topological co-indices in predicting material behaviors.

This study investigates the potential of natural and modified cyclodextrins in forming stable inclusion complexes with nilotinib, a chemotropic drug and tyrosine kinase inhibitor. Computational techniques, including molecular docking and molecular dynamics simulation, evaluate the capability of various natural cyclodextrins (alpha-cyclodextrin, beta-cyclodextrin, and gamma-cyclodextrin) and modified cyclodextrins (random methyl beta-cyclodextrin, amino beta-cyclodextrin, and hydroxypropyl beta-cyclodextrin) to form inclusion complexes with nilotinib. Results from both molecular docking and molecular dynamics simulations confirm stable inclusion complexes formation between nilotinib and all cyclodextrins. However, when nilotinib is included and water molecules are released, there is a reduction in hydrogen bonds formed between solvent molecules and the encapsulated cyclodextrins compared to free cyclodextrins. hydroxypropyl beta-cyclodextrin exhibits the highest number of hydrogen bonds with nilotinib, while alpha-cyclodextrin exhibits the least. The hydroxypropyl groups in hydroxypropyl beta-cyclodextrin can form hydrogen bonds with solvent molecules and the drug, resulting in a higher average number of hydrogen bonds than other cyclodextrins in the inclusion complexe-solvent system. These findings suggest the potential use of hydroxypropyl beta-cyclodextrin formulation to improve bioavailability and enable targeted drug delivery for the treatment of chronic myeloid leukemia, acute lymphoblastic leukemia, and gastrointestinal stromal tumors.

This study aimed to optimize environmental and nutritional conditions for maximum indole-3-acetic acid (IAA) production by a bacterial isolate using Box–Behnken Design (BBD) and evaluate its effect on early growth parameters of Oryza sativa (O. sativa) (rice paddy). Soil isolates were initially screened for IAA production and other plant growth-promoting traits, with isolate UMM1 showing the highest IAA potential. A one-factor-at-a-time (OFAT) approach identified key parameters—carbon source, nitrogen source, and tryptophan concentration—affecting IAA synthesis. Subsequent BBD optimization revealed that dextrose as carbon source, NaNO₃ as nitrogen source, 2-day incubation at 37°C, and varying tryptophan concentrations significantly enhanced IAA production in UMM1. TLC and HPLC analysis confirmed the identity and quality of the synthesized IAA. Greenhouse trials demonstrated that inoculation with UMM1 significantly improved vegetative growth of rice seedlings compared to controls. Molecular characterization by 16S rRNA sequencing identified UMM1 as Brevibacillus borstelensis (B. borstelensis) (PV426447) correlating IAA production with this species. The optimal conditions for maximum indole-3-acetic acid (IAA) production (89.46 μg/ml) were determined as follows: 1 g/ml tryptophan, an incubation period of 2 days, 1.5 g/ml dextrose, 0.4 g/L NaNO₃, and a temperature of 37 °C. These results confirm that BBD is an effective methodology for optimizing bacterial IAA synthesis. Additionally, they underscore the potential of B. borstelensis UMM1 as a bioinoculant for sustainable crop enhancement, which may reduce dependence on chemical fertilizers. This research provides valuable insights into bacterial optimization strategies for agricultural applications aimed at environmental sustainability.

Cancer remains a significant global health challenge, with brain and breast cancers posing considerable obstacles due to their aggressive progression and limited therapeutic options. Exploring natural sources for novel treatments offers a promising avenue for combating these malignancies. Cyanobacteria, traditionally associated with harmful algal blooms, have gained attention for their bioactive compounds with potential therapeutic applications. This study investigates the anticancer potential of cyanobacteria-derived compounds, including L-BMAA, 2,4-DAB, and AEG. Commercially available L-BMAA and 2,4-DAB were utilized, while AEG was synthesized and confirmed via NMR spectroscopy. Cytotoxicity against brain (N2a) and breast cancer (MDA-MB-231) cell lines was evaluated using MTT and trypan blue exclusion assays, revealing significant cytotoxic effects, time-dependent apoptosis induction, and reduced cell viability. Fluorescence staining (AO/EtBr, DCFH-DA, Hoechst, FDA, and Rho-123) indicated increased ROS levels, mitochondrial damage, nuclear envelope disruption, and further reductions in viability. Protein expression analysis demonstrated that 2,4-DAB upregulated pro-apoptotic proteins Bax and caspase-8 while downregulating anti-apoptotic proteins BCL-2 and p-Akt, confirming apoptosis activation. The findings suggest that cyanobacteria-derived neurotoxins, including L-BMAA, 2,4-DAB, and AEG, act as initiators of apoptosis in N2a and MDA-MB-231 cells through modulating apoptotic and anti-apoptotic pathways, highlighting their potential as anticancer agents for brain and breast cancer therapy.

Phytoconstituents holds immense potential as an alternative to synthetic cancer medicines or supplements. Tyrosine kinase inhibitors (TKIs), such as imatinib, have significantly improved outcomes for chronic myeloid leukemia (CML) patients, but overcoming resistance to imatinib remains a major challenge. This study aimed to identify a phytocompound with minimal side effects that could effectively target ABL1 and BCL2 to combat CML. A total of 108 phytocompounds were selected and their potential to inhibit BCL2 and ABL1 kinases were determined using a molecular docking study. Among these, daidzin exhibited significant binding affinity to both BCL2 and ABL1 kinases. To further assess the impact of daidzin over BCL2 and ABL1 kinase upon binding, a molecular dynamics simulation was conducted. Additionally, the apoptosis induction and BCL2 downregulation in imatinib-resistant CML cell lines (K562R) were evaluated in follow-up in-vitro experiments. The MTT assay revealed that the IC50 of daidzin was 51.62 ± 0.70 µM, which was higher than venetoclax IC50 is 32.73 ± 2.88 µM. Apoptosis assay at their respective IC50 concentration showed that daidzin induced 61.53% cell death while venetoclax induced 56.91% cell death in imatinib-resistant K562R cells. Further, both daidzin and venetoclax showed significant downregulation of BCL2 expression, with a reduction of 30.58 ± 0.19% and 36.42 ± 1.53%, respectively, compared to untreated imatinib-resistant K562R cells. These results demonstrate that daidzin is highly effective against imatinib-resistant K562R cell line and leads to significant BCL2 downregulation. However, further comprehensive in-vivo study is necessary to fully validate these findings.

The intercalated clay incorporated graphite composite electrodes will receive an unprecedented attention, as it reveals new composite engineering perspectives. In that sense, a graphite composite electrode is fabricated using cerium intercalated montmorillonite clay (Ce-MMT), obtaining a graphite-(Ce-MMT) composite electrode (G-(Ce-MMT)CE) that exhibits an improved electrochemical performance due to synergetic electrode matrix, in which cerium(IV) ions serve as a supportive electroactive mediator. G-(Ce-MMT)CE analyte response exhibits an ideal cyclic voltammogram signal while resulting in a high sensitivity towards complex inorganic anions than simple cations even though both have similar redox centre, exhibiting ~ 2.0 A m mol⁻¹ sensitivity towards Fe(CN)₆]⁴⁻/[Fe(CN)₆]³⁻ over Fe²⁺/Fe³⁺ that is ~ 0.55 A m mol⁻¹. The polyaniline nanofibers with villi-like surface projections dominantly materialize on G-(Ce-MMT)CE surface during aniline electropolymerization under Ce⁴⁺ intervention, resulting in an interwoven PANI network with low charge transfer (4.1 Ω) and serial resistance (17.8 Ω). The polyaniline-coated G-(Ce-MMT)CE is a potential candidate for supercapacitors, as it attributes to a specific capacitance above 1300 F g⁻¹ while delivering a high energy and power density, which is evident from both cyclic voltammetry and galvanostatic charge–discharge analysis. The pseudocapacitor-like behaviour is dominant with a supercapacitor cell that consists of two identical polyaniline-G-(Ce-MMT)CE segments, as it also accounts for a high coulombic efficiency that indicates a better cyclic stability, ensuring a longer lifespan.

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