BMC Chemistry最新文献

Schizophrenia is a chronic, complex and severs psychiatric disorder that impacts men and women globally. The combined use of atypical antipsychotics; risperidone (RSP), and antidepressants medications; duloxetine hydrochloride (DLX), has grown more clinical significance in cutting edge treatments of complex psychiatric conditions like schizophrenia. This research targets to develop an environmentally harmonious, selective, and accurate TLC method to measure the levels of both DLX and RSP in spiked human plasma samples. A mixture of methanol, ethylacetate, and 33% ammonia solution (6: 4: 0.2, by volume) was successfully utilized as a solvent system to separate the proposed components. A UV-scanning wavelength of 230 nm was used for detection. An internal standard; propranolol (PRP); was used to account for small variations in the samples. The resulting retardation factors (R_f) were 0.02, 0.32, 0.46 and 0.59 for plasma, DLX, PRP and RSP, respectively. The linearity ranges were 0.04-0.4 and 0.1-0.6 µg band^- 1 for DLX and RSP, respectively. The suggested method's environmental safety was evaluated using five tools and the results showed good greenness and blueness method's characteristics. Additionally, the method's figures of merits were within the accepted criteria, according to the US-FDA bio-analytical guidelines. Furthermore, drug-drug interactions (DDI) evaluation was conducted using web-based DDI tool to examine the interaction manifestations and to verify safety and therapeutic effectiveness of this combination.

Series of 2-(adamantan-2-ylidene)-N-substituted hydrazine-1-carbothioamide derivatives 5a-d and (E)-2-[(adamantan-2-ylidene)hydrazono]-3,4-diaryl-2,3-dihydrothiazole derivatives 7a-l were prepared and their structures were confirmed. In vitro antimicrobial evaluation of compounds 5a-d and 7a-l against different pathogenic bacterial and fungal strains revealed that compounds 5a, 5b, 5c, 7a, 7f, 7i and 7k displayed notable effectiveness against the Gram-positive bacteria, Staphylococcus aureus and Bacillus subtilis, and the Gram-negative Escherichia coli, and all compounds lacked antifungal activity. In addition, compounds 5a, 5b, 5c, 7f and 7 L displayed marked anti-proliferative activity particularly against HepG-2 and MCF-7 cancer cell lines (IC₅₀ < 25 µM). The structures of compounds 5c, 7a and 7f were confirmed by single-crystal X-ray diffraction studies. Compound 5c crystallized with a lattice water molecule and is stabilized by N-H···Cl/S, and C-H···O/Cl/π interactions. The crystal packing features of 7a and 7f are very similar, despite the presence of a methoxy substituent in 7f. Compound 7a is stabilized by C-H···N/S/π interactions and a chalcogen bond (S···π), whereas compound 7f is stabilized by C-H···N/S/π interactions as well as C-H···O interactions involving the methoxy oxygen as an acceptor. Molecular docking studies of the most potent antibacterial adamantane-thiazole derivatives 7f and 7i showed good affinity towards dehydrosqualene synthase (SaCrtM) from Staphylococcus aureus. Meanwhile, potent anti-proliferative compounds 5a, 5b, and 7f showed marked affinity the urokinase-type plasminogen activator receptor (uPAR).

In order to compare differences of bimetallic catalysts by in-situ vs. ex-situ catalysis for food waste catalytic pyrolysis, Ni/CaO monometallic catalysts and Ni-Co/CaO bimetallic catalysts were prepared by the precipitation deposition method for the catalytic pyrolysis of food waste in this paper. X-ray diffraction(XRD), Scanning electron microscopy(SEM) and Brunauer-Emmett-Teller(BET) surface area were used to characterize the catalysts.The results showed that the BET surface area was decreased after Co loading. Both catalysts could significantly promote the syngas yield as well as the content of H₂ and CO. Compared with the control group(550mL/g), it was increased by 41.7% and 39.3% respectively for Ni/CaO(779.36mL/g) and Ni-Co/CaO(765.9mL/g) catalyst by ex-situ catalytic pyrolysis, while the syngas yield was increased by 15.1% and 35.6% for Ni/CaO(633.33mL/g) and Ni-Co/CaO(745.77mL/g) catalyst by in-situ catalytic pyrolysis. At the pyrolysis temperature of 800℃ by ex-situ catalytic pyrolysis, H₂ content increased from 8.82%(control group) to 18.82%(Ni/CaO) and 15.6% (Ni-Co/CaO); CO content increased from 14.25%(control group) to 17.82% (Ni/CaO) and 16.08%(Ni-Co/CaO). Compared with the ex-situ catalytic pyrolysis, H₂ content was increased respectively by 203.2% and CO content were decreased by 24.7% for Ni/CaO catalyst through in-situ catalytic pyrolysis; while H₂ content was increased by 248.4% and CO contents were decreased by 20.2% for Ni-Co/CaO catalyst. The performance of the catalysts by ex-situ catalytic pyrolysis was superior to in-situ catalytic pyrolysis.

Streptomycin is a clinically important aminoglycoside antibiotic widely used for treating tuberculosis and other bacterial infections. Accurate determination of its concentration is essential for quality control, therapeutic drug monitoring, and preventing toxic effects associated with overdosing or accumulation in the environment. In this work, a simple, rapid, and highly sensitive spectrofluorimetric method was developed for quantifying streptomycin in pure form, pharmaceutical vials, and human plasma using fluorescamine as a fluorogenic probe. The method is based on the reaction of fluorescamine with the primary amine group of streptomycin under mild alkaline conditions to yield a fluorescent product emitting at 482 nm (excitation 390 nm). The calibration curve was linear over the range 100-600 ng/mL, with a correlation coefficient of 0.9999, a detection limit of 8.3 ng/mL, and a quantitation limit of 25.2 ng/mL, ensuring sensitive and accurate determination across the studied range. The procedure demonstrated high precision (RSD < 2%) and accuracy (recoveries 98.1-101.3%). The method was successfully applied to commercial streptomycin vials (% recovery = 99.7 ± 0.8) and to spiked human plasma samples with negligible matrix interference. Owing to its simplicity, short analysis time (3 min), and excellent reproducibility, the proposed assay offers a cost-effective alternative to chromatographic methods for routine quality control and bioanalytical applications.

This study assesses the health risks associated with nitrate and sulfate contamination in surface and groundwater sources within the Siwa Oasis, located in Egypt's northwestern desert. It also explores the effectiveness of a low-cost magnesium/aluminum quartz-based geopolymer (Mg/GP) as an enhanced adsorbent for contaminant removal. Nitrate concentrations reached up to 29.4 mg/L, exceeding acceptable safety limits, as indicated by a total hazard quotient (THQ) greater than 1. This level of exposure presents significant health risks, particularly for children (oral HQ up to 1.23). Sulfate concentrations also surpassed irrigation standards, further highlighting concerns regarding water quality in the region. To mitigate these risks, Mg/GP was synthesized as a modified, cost-effective geopolymer exhibiting high adsorption capacities for both nitrate (166.1 mg/g) and sulfate (234.1 mg/g) ions. The adsorption behavior followed pseudo-first-order kinetics (R² > 0.91) and was well-described by the Langmuir isotherm model (R² > 0.99). Additionally, statistical physics-based equilibrium modeling was employed to analyze steric and energetic adsorption characteristics. The analysis of active site density revealed a higher saturation capacity for sulfate (Nm = 145.4 mg/g) compared to nitrate (Nm = 18.8 mg/g), indicating more efficient sulfate uptake. However, nitrate ions demonstrated a stronger aggregation affinity (n = 8.83) than sulfate (n = 1.6), with both values exceeding 1, suggesting the presence of multi-ionic interaction mechanisms. These interactions were predominantly physical and exothermic, as evidenced by adsorption energies (ΔE < 20 kJ/mol). Field application of Mg/GP for groundwater treatment confirmed its practical potential, achieving a 72.4% reduction in sulfate concentration (initially 456.2 mg/L) and a 94.2% reduction in nitrate concentration (initially 10.4 mg/L).

Cookware manufactured through informal processes often uses unregulated raw materials and lacks quality control, which may result in elevated toxic metal levels. This study assessed the concentrations of manganese (Mn), lead (Pb), chromium (Cr), cadmium (Cd), and nickel (Ni) in informally manufactured cookware from Saki, southwest Nigeria. It also evaluated metal leaching into water during cooking and examined associated moulding materials and soils to identify potential sources of contamination. Four cookware samples, six moulding materials, and seventeen soil samples (including one background sample) were analyzed using flame atomic absorption spectrophotometry. Metal concentrations in cookware samples were generally high, with mean values (mg/kg) of Mn (375), Pb (136), Cr (26.9), Cd (1.70), and Ni (181), exceeding FAO/WHO acceptable limits for food-contact materials. Moulding materials showed extremely elevated Mn concentrations, while soils near manufacturing sites contained Pb and Cd above NESREA guideline values. Leaching tests conducted by boiling water for up to three hours showed metal concentrations below detection limits (0.01 mg/L), suggesting minimal short-term exposure risks. However, the high total metal content in cookware and production materials indicate potential public health concerns. This study provides baseline data linking informal manufacturing practices to cookware quality and site contamination in Nigeria.

This study describes the design and synthesis of a novel series of triazole-aryloxyacetyl hydrazide hybrids with furo[2,3-d]pyrimidine scaffold. The structure elucidations were performed using ¹ H NMR, ¹³ C NMR and high-resolution mass spectrometry (HR-MS). The in vitro antitumor activities evaluation indicated that several derivatives exhibited considerable inhibiting effect against HepG2 cell lines, with IC₅₀ values ranging from 4.82 to 69.83 µmol/L for compounds 5a-5l, 18.37 to > 100 µmol/L for compounds 6a-6j, 11.21 and 6.07 µmol/L for compounds 7a and 7b, respectively. Among them, compounds 5d and 5e appeared the most potent activity, along with notably lower cytotoxicity against the normal human liver cell line and the selectivity indices (SIs) were calculated to be 3.36 and 3.02, respectively, underscoring their antitumor potential. Furthermore, compound 5d not only induced concentration-dependent apoptosis but also effectively suppressed HepG2 cell migration. Following molecular docking studies demonstrated that compound 5d interacts with EGFR in a manner similar to gefitinib, suggesting its potential as an EGFR inhibitor. Preliminary comparative structure-activity relationship revealed that the bicyclic furo[2,3-d]pyrimidine core bearing a C-4 aryloxyacetyl hydrazide moiety was crucial for high activity, outperforming the tricyclic triazole-containing analogs (6a-6j). In addition, the introduction of halogen substituents (F, Cl) at the R¹ position enhanced potency, as evidenced by compounds 5d, 5e, and 7b. Conversely, the tricyclic series (6a-6j) showed diminished activity. A comparison with the potent compounds 7a and 7b suggests that this may be due to unfavorable steric effects. This insight provides a direction for subsequent molecular optimization efforts.

Combined dosages offer several advantages over single dosages, including fewer pills to take daily, simplified regimens, and enhanced therapeutic effects. Therefore, a straightforward, selective, and fast reversed-phase HPLC method has been established and validated for the simultaneous analysis of Esomeprazole and Ketorolac tromethamine in a combined dosage form. There was no interference with diluents, and the procedure was specific. The average recovery rates for Esomeprazole and Ketorolac Tromethamine are 99.96% and 99.934%, respectively. The suggested approach was accurate and precise, with the system precision having a percentage RSD of 0.09%, the assay precision a percentage RSD of 0.21%, and an intermediate precision of 0.43%. The correlation coefficient was found to be 0.998 from a linearity study, indicating that the method was linear over the range of 40%, 80%, 100%, 120%, and 160%. Under all degradation conditions, there was no interference at the retention time of the Ketorolac Tromethamine and Esomeprazole peaks, and the peak purity index met compliance. Drugs can be degraded through acid hydrolysis and oxidation; however, these processes do not affect the method. The approach was found to be resilient to potential modifications. To determine the quality of the drug substance during routine analysis with consistent and repeatable results in combined dose formulations, the proposed method is not only practical and reliable but also environmentally sustainable, making it a more effective solution for analyzing Esomeprazole and Ketorolac Tromethamine.