BMC Chemistry最新文献

This paper examined the thermal gelation of yak myofibrillar protein (MP) incubated in a Fenton oxidation system at different pH values for 24 h. The effect of protein oxidation on the gel properties at different pH levels was explored by studying the water-holding capacity (WHC), solubility, texture, and other characteristics, while the chemical force, rheological, and microstructural variation in these conditions were analyzed. The results showed that protein oxidation negatively impacted the yak meat MP gel characteristics (p < 0.05). Increasing the H₂O₂ interval at different pH levels significantly decreased (p < 0.05) the WHC, solubility, and texture of the protein gel, the average reduction was 7.5%, 27.5%, 12.5% respectively. The H₂O₂ concentration and pH level substantially affected ionic and hydrogen bond formation (p < 0.05). Oxidation had the most obvious impact on the gel characteristics at pH 5.0. The MP gel displayed a loose, disordered microstructure with the lowest WHC, textural strength, storage modulus (G’), and intermolecular protein force. Oxidation had the least impact on the gel properties at pH 6.0. The MP gel exhibited the highest textural strength, G’, and intermolecular forces, characterized by a compact, orderly microstructure with small, uniformly distributed pores. The gel displayed the best WHC after oxidation at pH 8.0.

Diaryl urea-based compounds have attracted the attention of many researchers due to their potential as anticancer agents. Following our previous study on a series of diaryl urea compounds and implementation of the obtained structure activity relationship (SAR) analysis, a new set of derivatives were designed and synthesized. The synthesized compounds were subjected to evaluation for their in vitro antiproliferative activities against A549 and HT-29 cell lines. Among all, 6a emerged as the most potent antiproliferative agent with an IC₅₀ value of 15.28 and 2.566 µM against HT-29 and A549 cells, respectively. Comparing the activity of the newly designed and synthesized diaryl urea compounds 4a-b and 6a-e with those for the previously reported compounds 8a-b and 9a-f confirmed the importance of the substitution of amide groups instead of ester between the central and distal benzene rings of diaryl urea scaffold. The results of current study revealed that the substitution of proximal and distal benzene rings with chlorine and methyl groups, alongside the linear extension of molecules through the introduction of a methylene spacer group could enhance antiproliferative activity, which is in agreement with previously reported SAR analysis. Molecular docking simulations demonstrated that all designed compounds exhibit binding affinity to VEGFR-2 similar to that observed experimentally for sorafenib. The findings of this study may offer valuable insights for the further development of diaryl urea-based anticancer agents.

Graphical Abstract

The reaction of bidentate-S, N-thione Schiff base ligand, Phenyl (E)-2-(1-phenylethylidene)-hydrazine-1-carbodithioate (PPEHCDT) with NiCl₂.3H₂O produced a neutral Ni^II(S, N)₂ complex with cis form as kinetic favor isomer. Various physicochemical techniques, including EDX, FAB-MS, UV-Vis, IR, CHN, and XRD-crystal analysis, were employed to characterize the desired complex. These techniques provided evidence supporting the coordination of the ligand with the Ni-center, as indicated by the neutral cis-Ni(L)₂ formula. The XRD-results revealed a cis-isomer as anionic S-thiol and bis-bidentate-N-azomethine, as well as a slightly distorted square planar neutral cis-Ni(PPEHCDT)₂ complex. In contrast, the DFT simulation supported a distorted tetrahedral as favor geometry, despite the fact that the XRD/DFT structural parameters results agreed. Moreover, the Molecular Electrostatic Potential (MEP) together with the Hirshfeld Surface Analysis (HSA) confirmed the XRD seen in appearance of the Heteromeric sub-synthons via C-H_….πPh and C-H···S interactions. Moreover, the TG/DTG technique exhibited a high level of stability (∼ 250 °C) and a two-step thermal degradation process for the prepared cis-Ni(PPEHCDT)₂ complex. Furthermore, it has been observed that the molecular docking of 1BNA-DNA with the free ligand is superior to that of the cis-Ni(PPEHCDT)₂ complex due to the presence of two H-bonds with a larger binding energy as opposed to a single H-bond with a lower binding energy.

Background

Aqueous route of sol–gel method was used to synthesize nanocrystalline nickel ferrite (NiFe₂O₄) from a stoichiometric mixture of nickel nitrate hexahydtrate and ferric nitrate nonahydrate precursors using aqueous ethanol as solvent and polypropylene glycol as a stabilizing agent. The gel obtained was calcined at various temperatures ranging from 500 °C to 900 °C. The effect of calcination temperature on structural and magnetic properties of nickel ferrite was determined by X–ray diffraction, infrared spectroscopy, thermogravimetry, field emission scanning electron microscopy and vibrating sample magnetometry.

Results

The results showed a single phase nickel ferrite with a cubic spinel structure having particles of irregular shape and different sizes ranging from 10 to 20 nanometers, randomly distributed to form aggregates.

Conclusions

The results revealed that the use of polypropylene glycol as a stabilizing agent significantly reduced the agglomeration of nickel ferrite nanoparticles. However, loosely aggregated grains were obtained that got separated with the rise in calcination temperature leading to the formation of more prominent and well–dispersed structures at 900 ºC. Moreover, the samples exhibited high coercivity indispensible for the application of nanoparticles in storage and magnetic devices.

Industrial wastewater discharge without proper treatment causes severe ecological and public health problems. Heavy metals like chromium are pollutants found in untreated or partially treated industrial wastewater. This study investigates the removal of hexavalent chromium ion (Cr (VI)) from synthetic and tannery wastewater using activated carbon derived from cabbage waste. The cabbage waste was activated with H₃PO₄ and carbonized at 450 °C. Characterization was performed using proximate analysis, XRD, and FTIR spectroscopy. Batch adsorption studies were conducted under various conditions, including initial chromium concentrations (10–100 mg/L), adsorbent dose (1–20 g/L), contact time (30–300 min), pH (2–11), shaker speed (50–250 rpm), and temperature (20–70 °C). The optimum conditions for maximum chromium removal (99.87%) from synthetic wastewater were pH 3, initial chromium concentration 10 mg/L, shaking speed 150 rpm, contact time 150 min, adsorbent dose 2 g/L, and temperature 25 °C. For tannery wastewater, 83.81% chromium removal was achieved under the same conditions. The Freundlich isotherm model best described the adsorption process, with an adsorption capacity of 4.9 mg/g. The adsorption followed pseudo second order kinetics. The thermodynamics study indicates that the adsorption of Cr (VI) is spontaneous, exothermic and driven by an increase in entropy. A negative value of Gibbs Free Energy change (ΔG°) indicates that the adsorption process is thermodynamically spontaneous and feasible.

Recently, chitosan derivatives, as eco-sustainable and renewable products, have been recorded to be highly effective toward cosmetics with potent biological activity. The main core of this research is to develop an organic hair conditioner (OHC) based on two chitosan-thiadiazole conjugates, chitosan-(ethylthio‑thiadiazole) (CH-ETD) and chitosan-(benzylthio‑thiadiazole) (CH-BTD), with natural fragrances. A series of nine OHC formulae were prepared (CH1-CH3 for chitosan based OHC, E1-E3 for CH-ETD based OHC, and B1-B3 for CH-BTD based OHC) and characterized based on their visual examination, pH, thermal stability, dirt dispersion, moisturizing time, percentage of solid content, hair irritation, rinsing, combing, and the luster. The results showed that the pH values of all OHC formulae were 4.2–4.7 which is considered acceptable to avoid skin irritation. A distinctive film surrounds each individual hair shaft in the CH-ETD and CH-BTD treated groups when compared to control hair without the application of hair conditioner under a scanning electron microscope SEM with a magnification power of 100 μm. Additionally, every single hair shaft is clearly covered, and the control group exhibited noticeable hair issues that were not observed in the treated groups, which showed no signs of tangling. Due to the end-use performance properties of the formulated hair conditioner products, it can be concluded that the formulas of (CH, E2, and B2) were the best efficacy; hair easier to style, detangle the hair, retain moisture, not be very thick, not cause irritation or inflammation, minimize frizz, and create a protective barrier on the hair. These findings collectively validate the potential of CH-ETD and CH-BTD based formulations coupled with natural perfumery as a transformative approach to hair care, aligning with consumer preferences for both efficacy and environmental sustainability. Furthermore, in this work, docking studies have been conducted to provide theoretical proof about the significant roles of chitosan and keratin in hair growth and cosmetic applications (skin).

Graphical Abstract

Due to its characteristics and allowable use, the sulphonamide group remains a first-choice treatment for veterinarians when managing multiple veterinary diseases. Unfortunately, long-term consumption of food containing sulphonamide residues can result in harmful effects, especially that sulphonamides are classified in category D. Metal–organic frameworks (MOFs) have demonstrated outstanding selectivity in detecting target components due to their large surface areas and intricate structures. In this study, we present a novel voltammetric approach for determining sulfadimidine (SLD) in veterinary formulations, animal plasma, and animal-derived products, including milk and eggs. We employed a bimetallic Cu/Ni-MOF to modify a carbon paste electrode, utilizing differential pulse voltammetry (DPV) for SLD detection. The morphology of the Cu/Ni-MOF was analyzed to ensure optimal structural characteristics, and experimental conditions were optimized to achieve the best performance. A major advantage of this method is its wide linearity range (100 nM to 100,000 nM) and the ability to detect SLD at nanogram levels, with a LOD of 20 nM and a LOQ of 60 nM. These characteristics demonstrate the fabricated Cu/Ni-MOF’s capability to detect SLD at levels below its maximum residue limit (MRL) in plasma, milk, and eggs. Furthermore, the environmental impact of this method was assessed using the RGB 12 metric and compared against the AGREE, Complex GAPI, and BAGI metrics, offering a comprehensive evaluation of its analytical performance and practical advantages. This approach holds promise for curbing antibiotic misuse by providing a straightforward and effective method for SLD detection across multiple matrices.

A novel platinum(IV) supramolecular complex; [PtCl₂(2,2′-bipy)₂](PtCl₆) was synthesized in aqueous acetonitrile solution at ambient temperature with constant stirring. The structure was confirmed by elemental analysis, FT-IR, UV–vis, NMR spectroscopy, and single-crystal X-ray diffraction, revealing a unique distorted octahedral geometry and a three-dimensional network stabilized by hydrogen bonding and π–π stacking. DNA binding studies, including electronic absorption titration and viscometry, indicated a groove binding mechanism with a binding constant (K_b) of 5.00 × 10⁶ M⁻¹. Molecular docking with DNA (PDB ID: 1BNA) and cancer-related proteins (PDB codes: 3ig7, 3eqm, 4fm9) supports these interactions, while in vitro anticancer assays demonstrated potent cytotoxicity with IC₅₀ values of 41.37 μM for HepG2, 47.62 μM for HCT116, and 73.90 μM for MDA-MB-231 cells, outperforming cisplatin in selectivity. This study not only advances our understanding of structure–activity relationships in platinum-based complexes but also highlights the potential of this complex as a promising candidate for developing more effective and less toxic anticancer agents.

Milk is a widely consumed dietary product due to its high nutritional value. The presence of veterinary drug residues in milk constitutes a potential risk to human health and undesirable effects on consumers. In this study, a chromatographic method was developed and optimized for quantitative analysis of imidocarb dipropionate (IMD), flunixin meglumine (FNM), and sulfadimidine (SDD) residues in milk. These drugs are used together as a combination therapy for the management of anaplasmosis in cattle. The chromatographic separation was performed using an ODS Hypersil C18 column with UV detection at 270 nm. The mobile phase consisted of 0.05 M phosphate buffer, pH 3: acetonitrile: methanol (55:30:15, by volume), with a flow rate of 1 mL/min. Before analysis, a protein precipitation procedure was performed to extract the studied drugs from milk by using methanol as an extractor/deproteinization agent. The proposed method was successfully employed to quantify the studied drug residues in cattle milk samples within and after their withdrawal periods. The developed method was statistically compared with reported methods, demonstrating no significant difference in terms of accuracy and precision. Greenness and environmental impact were also evaluated for the proposed procedure, verifying it was a green and eco-friendly analytical method.

Genus Artemisia has diverse phytochemistry and a long history in traditional medicine with several species still having unexplored potential. Hence, comparative profiling of Artemisia species in Egypt (A. annua, A. herba-alba, A. monosperma and A. judaica) and their authentication is of great interest. An integrated approach of GC-MS, HPTLC-image analysis and near-infrared (NIR) spectroscopy was implemented for their fingerprinting, discrimination and authentication. GC-MS analysis revealed the phytochemical profile of their volatile oils identifying compounds spanning monoterpenes, sesquiterpenes, diterpenes and non-terpenoid compounds. The major chemical components were highlighted as camphor, β-caryophyllene and germacrene D in A. annua, camphene, cis-pinocarveol, trans-chrysanthenyl acetate and cis-chrysanthenyl acetate in A. herba-alba, α-pinene, β-pinene, α-terpinolene and (-)-spathulenol in A. monosperma, finally, camphor, piperitone and trans-ethyl cinnamate in A. judaica. HPTLC-image analysis allowed tracking chemical markers in their total alcoholic extracts. Artemisinin was detected only in A. annua while scopoletin was identified as a major characteristic coumarin in Artemisia species. Phenolic acids and flavonoids were also discovered in the different species. Finally, NIR spectroscopy allowed profiling and authentication of their powders revealing prominent spectral characteristics correlated to the chemical markers identified by GC-MS and HPTLC. Then, multivariate analysis facilitated classification and discrimination of the species. Additionally, PLS regression analysis was utilized for quality control of powdered A. annua, being an important industrial crop, by detecting its adulteration with other species in limits of detection less than 1.5%. This combined approach aided in the rapid comparative profiling of the Artemisia species as a mean for their fingerprinting and authentication.

Graphical Abstract