BMC Chemistry最新文献

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

This study investigated the removal of Brilliant Blue R (BBR) and Victoria Blue R (VBR), commonly used dyes in the textile industry, from wastewater using the pomegranate peel with an adsorption method. Pomegranate peel was characterized by using X-ray diffraction (XRD), Brunauer, Emmet ve Teller (BET), scanning electron microscopy (SEM), Fourier transform infrared spectrophotometer (FT-IR), thermogravimetric analysis (TGA), and zeta potential. For both dyes, pH, adsorbent amount, contact time, salt effect, and wastewater parameters were investigated in the batch system, while adsorbent amount and flow rate parameters were investigated in the continuous system. The adsorption results of both dyes on pomegranate peel indicate that they fit the pseudo-second-order kinetic model. The adsorption isotherms of both dyes were found to be compatible with the Langmuir isotherm model. In the thermodynamic study, it was determined that the adsorption process was spontaneous (∆G°<0) and exothermic (∆H°<0). It was decided that pomegranate peel is a suitable adsorbent for the adsorption of BBR and VBR dyes. Finally, the adsorption yields for removing BBR and VBR from wastewater using pomegranate peel were 90.38% and 100%, respectively. This result shows that the high adsorption efficiency obtained for both dyes makes it possible for pomegranate peel to be widely applied as an adsorbent in wastewater treatment.

The recent approval of the nasal spray combination of mometasone (MOM) and olopatadine (OLO) presents a significant analytical challenge, as only a single reported method exists for its determination, deviating from eco-friendly practices. This study addresses this critical gap by pioneering the application of machine learning techniques to develop robust UV spectrophotometric approach for the simultaneous quantification of MOM and OLO, along with two genotoxic impurities: 4-dimethylamino pyridine (DAP) and methyl para-toluene sulfonate (MTS). By simultaneously determining these highly concerning genotoxic impurities and active pharmaceutical ingredients, this method underscores its paramount significance in upholding rigorous pharmaceutical quality standards and safeguarding patient safety. Applying the multilevel-multifactor experimental design, the calibration set was meticulously chosen at five different concentrations, yielding 25 calibration mixtures with central levels of 4, 46.5, 2.5, and 3 µg/mL for MOM, OLA, MTS, and DAP, respectively. The key innovation lies in the strategic implementation of the Kennard-Stone Clustering Algorithm to create a robust validation set of thirteen mixtures, resolving the limitations of reported chemometric methods’ random data splitting. This approach ensures unbiased evaluation across the full concentration space, improving the method’s reliability and sustainability. The robustness of this approach was rigorously tested using five distinct chemometric models: principal component regression, classical least squares, partial least squares, genetic algorithm-partial least squares, and multivariate curve resolution-alternating least squares, demonstrating its broad applicability across diverse modeling techniques. All models successfully determined all components with excellent recovery, low bias-corrected prediction, and adequate limits of detection. The Greenness Index Spider Charts and the Green Solvents Selection Tool were used to choose environmentally conscious solvents. A comprehensive sustainability assessment employed six state-of-the-art tools, including the national environmental method index, complementary green analytical procedure index, analytical greenness metric, blue applicability grade index, carbon footprint analysis, and the red-green-blue 12 metrics. Favorable results across all metrics affirmed the method’s eco-friendliness, real-world applicability, and cost-effectiveness, supporting sustainable development goals in pharmaceutical quality control processes.

Alzheimer’s disease (AD) remains a significant public health challenge due to its progressive cognitive impairment and the absence of proven treatments. In this study, several novel 1,2,3-triazole-methoxyphenyl-1,3,4-oxadiazole derivatives were synthesized and evaluated for their ability to inhibit key enzymes associated with AD: acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Structure-activity relationship (SAR) analysis revealed that derivatives featuring electron-withdrawing groups, particularly nitro and fluorine substituents, exhibited remarkable inhibitory activity against BChE while showing minimal effectiveness against AChE. Among these, compound 13s (R = 4-CH₃, R’ = 4-NO₂) demonstrated the highest potency, selectively targeting BChE with an IC₅₀ value of 11.01 µM. Molecular docking and molecular dynamics (MD) simulations provided deeper insights into the favorable interactions between these compounds and BChE. Additionally, cytotoxicity studies confirmed the active compound’s limited toxicity toward normal cells, indicating a promising therapeutic profile. These findings suggest that the synthesized selective anti-BChE compounds hold potential for consideration in the later stages of AD treatment.

A direct, precise, rapid and simple flow injection approach has been applied to determine vilazodone HCl (VZN) in pharmaceutical dosage forms and biological fluids. VZN has an indole ring as part of its structure, which gives it a significant native fluorescence. The study was based on determining the strong intrinsic fluorescence of VZN, which was measured at 486 nm after excitation at 241 nm. Phosphate buffer (pH 5, 10 mM): Acetonitrile (40:60, v/v) was utilized as the carrier solution, with a flow rate of 0.5 mL min^− 1. Based on peak area, the calibration graph was linear over a concentration range of 10–300 ng mL^− 1 of VZN with a correlation coefficient (r) of 0.9999. The quantitation limit was 9.62 ng mL^− 1, while the detection limit was 3.17 ng mL^− 1. Moreover, the suggested method was used to accurately measure VZN in its tablet dosage form. Additionally, the studied drug was also satisfactorily measured in blood using the suggested flow injection methodology. The approach was validated according to ICH specifications.

Shilajit, a natural substance with ancient medicinal roots, is increasingly used in modern supplements for its purported health benefits. However, there is a lack of comprehensive chemical characterization, particularly regarding inorganic anions. This study addresses this gap by quantifying common inorganic anions in 14 raw Shilajit samples sourced from Iran, India, Nepal, Kyrgyzstan, and Russia, as well as in 6 commercially available supplements from Poland, Russia, and Kyrgyzstan. Using ion chromatography, key anions including chloride, sulphate, nitrate, hydrogen phosphate, and fluoride were analyzed. Results revealed that chloride was the most prevalent anion, with concentrations ranging from 0.102 to 9.496 mg.g^− 1 in raw Shilajit samples and up to 0.931 mg.g^− 1 in supplements. Sulphate levels were significant, with concentrations up to 12.412 mg.g^− 1 in raw Shilajit and 0.854 mg.g^− 1 in supplements. Nitrate was detected in lower concentrations, peaking at 9.504 mg.g^− 1 in raw Shilajit. Fluoride was quantifiable in only one sample at 0.064 mg.g^− 1. The study concludes that Shilajit’s geographical origin significantly influences its anion composition, leading to variability in its potential health effects. These findings highlight the necessity for standardized formulations and stringent quality control measures in Shilajit supplement production to ensure consumer safety and product efficacy.

With the rapid growth of electric vehicle adoption, the demand for lithium-ion batteries has surged, highlighting the importance of understanding the associated risks, particularly in non-application stages such as transportation, storage, assembly, and disposal. This review explores the types and causes of lithium-ion battery accidents, categorizing them into leakage, fire, and explosion, often resulting from electrical, thermal, and mechanical abuses. It examines the environmental impacts of such incidents, including the release of toxic substances that threaten public health and ecological systems. The research also outlines the need for effective risk assessment methods and compliance with safety standards. Furthermore, it evaluates current emergency response strategies, advocating for a unified approach to managing these incidents. By delving into the complexities of lithium-ion battery safety, this study aims to contribute to improved practices and regulatory frameworks, ultimately enhancing related accident responses.

Rice contains antioxidants and phenolic components that exert anti-inflammatory and anticancer properties. Different geographical areas produce rice with various chemical constituents and phytochemicals, in turn these confer differential protective effects including antimicrobial and anticancer properties. Sarawak rice, Oryza sativa var Bajong (Bajong), a fragrant dark purple rice grain harvested from two locations in Sarawak, namely interior Lubok Nibong (LN) and coastal Sri Aman (SA), was assessed for their antioxidant properties and antimicrobial activities. The rice was extracted using methanol solvent and evaluated for total phenolic content (TPC), total flavonoid contents (TFC), as well as their antioxidant and antimicrobial activities based on the Folin–Ciocalteu assay, the aluminium calorimetric method, 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging activity and disk diffusion assay, respectively. Using dual-wavelength measurement, Bajong LN showed 2.16% higher amylose content than Bajong SA. Furthermore, 24-h extract of Bajong LN and 48-h extract of Bajong SA exhibited high antioxidant properties (34–70 µg/mL) and were rich in phenolic (46.54 ± 2.62 mg GAE/g; 25.28 ± 3.91 mg GAE/g) and flavonoid contents (5.53 ± 0.36 mg QCE/g; 7.7 ± 2.19 mg QCE/g) respectively. It is interesting to note that 72-h Bajong extract exhibited the largest zone of inhibition (9–9.3 mm) against Gram-negative Pseudomonas aeruginosa (Ps. aeruginosa), which correlated to the high TPC and TFC despite a reduction of antioxidant activity due to prolonged extraction hours. These significant results conferred added value to a staple, health-promoting Bajong had warranted it to be further investigated as a nutraceutical and pharmaceutical crop.

A series of novel 4-(9-phenyl-1,2,3,4-tetrahydroacridin-2-yl)cyclohexan-1-ones and their dimers were synthesized using an efficient one-pot method with Deep Eutectic Solvents (DESs), alongside microwave-assisted and conventional techniques. Using less toxic and inexpensive DESs enhance sustainability in producing desired products. Green metrics calculations indicate a high level of greenness in the synthesis process. FT-IR, NMR, and HRMS characterized the compounds. In-silico tests involving Bovine Serum Albumin (BSA) assessed the binding affinity of the compounds toward various drugs. Furthermore, DFT studies explored theoretical spectral calculations, energy differences, and electron cloud density. Notably, among the derivatives, the fluorophore 4-(7-amino-9-phenyl-1,2,3,4-tetrahydroacridin-2-yl)cyclohexan-1-one (3e) can specifically detect 2,4,6-trinitrophenol (Picric acid, PA), a fatal nitro explosive. Photophysical studies confirmed 3e's ability as a “turn-off” fluorescence chemosensor for PA with a detection limit of 1.766 × 10^–9 M and a binding stoichiometric ratio of 1:1 between the probe and analyte. Structural confirmation of the probe was achieved through single-crystal XRD.

The study highlights the development and characterization of a novel polymeric membrane composed of montmorillonite (MMT) and polyethersulfone (PES) using the phase inversion process. The membrane incorporates polyethylene glycol (PEG) as a pore-forming agent and N-methyl pyrrolidone (NMP) as a solvent. The addition of MMT significantly enhances the membrane's properties, including hydrophilicity, porosity, antifouling capacity, hydraulic resistance, water uptake, and dye removal efficiency. Characterization techniques such as FT-IR spectroscopy, FE-SEM, EDX spectroscopy, water flux measurements, water uptake analysis, contact angle studies, and fouling assessments confirm the improved performance of the PES/MMT composite membrane. The presence of MMT increases the negative surface charge of the membrane, making it particularly effective in removing anionic dyes like Congo red (CR), Quinoline yellow (QY), and Methyl orange (MO). The study demonstrates that membranes with up to 5 wt% MMT exhibit high porosity (68.2%) and enhanced water flux (35 L/m²·h), achieving dye rejection rates of 99% for CR, 92% for MO, and 81% for QY. The integration of MMT into PES membranes presents a significant advancement in sustainable water purification technologies. These modified membranes demonstrate enhanced mechanical strength, improved structural stability, and an increased surface area, making them highly effective for dye adsorption. Compared to traditional materials, PES/MMT membranes exhibit superior performance in wastewater treatment and dye removal, offering a promising and eco-friendly alternative for addressing environmental challenges.