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Investigation of the solubility and thermodynamics of Ivermectin in aqueous mixtures of polyethylene glycols 200/400. 伊维菌素在聚乙二醇200/400水溶液中的溶解度和热力学研究。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-17 DOI: 10.1186/s13065-025-01647-3
Soma Khezri, Reza Ghotaslou, Kader Poturcu, Jafar Soleymani, Elaheh Rahimpour, Abolghasem Jouyban
{"title":"Investigation of the solubility and thermodynamics of Ivermectin in aqueous mixtures of polyethylene glycols 200/400.","authors":"Soma Khezri, Reza Ghotaslou, Kader Poturcu, Jafar Soleymani, Elaheh Rahimpour, Abolghasem Jouyban","doi":"10.1186/s13065-025-01647-3","DOIUrl":"https://doi.org/10.1186/s13065-025-01647-3","url":null,"abstract":"<p><p>Ivermectin, a poorly water-soluble drug, faces challenges like slow dissolution and variable absorption, affecting its efficacy. While some solubility data exist for ivermectin in mono-solvents and a few binary mixtures, research on its solubility in broader solvent combinations remains limited. This investigation aimed to elucidate the solubility and thermodynamic profiles of ivermectin in binary solvent systems comprising (polyethylene glycol 200 + water) and (polyethylene glycol 400 + water) within a temperature range of 293.2 to 313.2 K. The experimental solubility data were analyzed utilizing various linear and nonlinear models, including van't Hoff, Jouyban-Acree, Jouyban-Acree-van't Hoff, and mixture response surface methods. The efficacy of these models was assessed by evaluating their mean relative deviations from the experimental values. Furthermore, apparent thermodynamic parameters, including Gibbs energy, enthalpy, and entropy were calculated using the van't Hoff and Gibbs equations.</p>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"279"},"PeriodicalIF":4.3,"publicationDate":"2025-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145312047","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Eco-benign phytochemically-functionalized Ag-core Fe-shell bimetallic nanoparticles for targeted antioxidant and anti-inflammatory drug delivery. 生态良性植物化学功能化银核铁壳双金属纳米颗粒靶向抗氧化和抗炎药物递送。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-15 DOI: 10.1186/s13065-025-01640-w
Callistus I Iheme, Michael A Mogbonjubola, Blessing K Iwuchukwu, Precious N Alisi, Amarachi U Nkwoada, Chidinma J Okpara, Olusola O Ibeh, Chimdi E Esonu, Venatius C S Ubah, Nneamaka A Chiegboka, Chima K Oguzie, Cosmas O Ujowundu
{"title":"Eco-benign phytochemically-functionalized Ag-core Fe-shell bimetallic nanoparticles for targeted antioxidant and anti-inflammatory drug delivery.","authors":"Callistus I Iheme, Michael A Mogbonjubola, Blessing K Iwuchukwu, Precious N Alisi, Amarachi U Nkwoada, Chidinma J Okpara, Olusola O Ibeh, Chimdi E Esonu, Venatius C S Ubah, Nneamaka A Chiegboka, Chima K Oguzie, Cosmas O Ujowundu","doi":"10.1186/s13065-025-01640-w","DOIUrl":"10.1186/s13065-025-01640-w","url":null,"abstract":"<p><p>The etiology of several degenerative diseases is linked to oxidative stress and inflammations. This study presents an eco-benign phytochemically-functionalized Ag-core Fe-shell (Ag@Fe) bimetallic nanoparticles (NPs) for targeted antioxidant and anti-inflammatory drug delivery. The NPs were synthesized, and modified with phytochemicals from the aqueous leaf extract of Costus lucanusianus; subsequently, characterized using advance microscopes and spectroscopes. Atomic force microscope revealed the grain size of 4.54 nm with the total projected area of 95.65% confirming the surface modification of the nanoparticles, and the energy dispersive spectroscope confirmed the strong presences of Ag and Fe. At 500 µg/mL, the NPs and ascorbic acid (standard) demonstrated similar (p < 0.05) antioxidant properties by reducing oxidative stress through the effective scavenging of hydroxyl, and hydrogen peroxide radicals. Similarly, at 500 µg/mL, the anti-inflammatory performance of the NPs, and acetyl salicylic acid (standard) through the inhibition of protein denaturation, heat-induced haemolysis, and scavenging of nitric oxide radicals as 52.90 ± 6.65 and 78.26 ± 4.35; 70.83 ± 2.90 and 82.52 ± 8.43; 56.93 ± 5.18 and 74.65 ± 2.43 respectively; were statistically (p < 0.05) similar; thus, revealing the antioxidant and anti-inflammatory potency of the NPs. The dual functionality of these nanoparticles highlights their potential for therapeutic applications, particularly in managing oxidative stress-related and inflammatory conditions.</p>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"277"},"PeriodicalIF":4.3,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12522365/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145297781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Removal of organic matters, phosphates and nitrates present in pond wastewater using chemical coagulant solutions. 使用化学混凝剂溶液去除池塘废水中的有机物、磷酸盐和硝酸盐。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-15 DOI: 10.1186/s13065-025-01642-8
Nouria Nabbou, Elhassan Benyagoub, Meriem Bekaddour, Boudjemaa Larabi, Abdelmadjid Hamouine
{"title":"Removal of organic matters, phosphates and nitrates present in pond wastewater using chemical coagulant solutions.","authors":"Nouria Nabbou, Elhassan Benyagoub, Meriem Bekaddour, Boudjemaa Larabi, Abdelmadjid Hamouine","doi":"10.1186/s13065-025-01642-8","DOIUrl":"10.1186/s13065-025-01642-8","url":null,"abstract":"<p><p>The study aims to treat and remove of organic matters, phosphates and nitrates present in fish pond wastewater using chemical coagulants at different concentrations [FeSO<sub>4</sub>, FeCl<sub>3</sub>, and Al<sub>2</sub>(SO<sub>4</sub>)<sub>3</sub>] through coagulation-precipitation. These effluents are discharged without any treatment. Fish pond wastewaters were subjected to a series of physicochemical and bacteriological analyses before and after treatment according to standard methods. The results of the main physicochemical and bacteriological characteristics of the fish pond wastewater released from a fish farm located in Taghit-Bechar (Southwest of Algeria) show values exceed the Algerian norms for liquid discharges. These values include organic matter (chemical oxygen demand (COD) = 285.42 mgO<sub>2</sub>/L, biological oxygen demand (BOD) = 226.71 mgO<sub>2</sub>/L, oxidizable materials (OM) = 56 mgO<sub>2</sub>/L), total suspended solid (TSS) (45 mg/L), phosphate (2.60 mg/L), nitrate (80 mg/L), fecal coliforms (3.07 log MPN/100mL) and fecal streptococci (3.32 log MPN/100mL). The treatment results showed that the optimum concentration varies around 50 mg/L for ferric chloride and ferric sulfate, and 80 mg/L for aluminum sulfate. At these optimum doses, treatment yields are satisfactory for the abatement of organic pollution, namely; SS, OM, COD, and BOD<sub>5</sub> with a rate of 80%, 64.3%, 91%, and 84% for ferric chloride; 87%, 68.6%, 93%, and 86 for ferric sulfate and 95%, 71.5%, 96% and 87 for aluminum sulfate, respectively. Nitrate and phosphate removal performance was excellent, with removal rates of 92% and 97% for ferric chloride, 94% and 99% for ferric sulfate, and 95% and 98% for aluminum sulfate, respectively. The pollutant parameters tested appear to be better eliminated with ferric chloride in a pH range between 6 and 8 for organic matter (MO, COD, BOD), and between 8 and 10 for phosphates and nitrates. The best results were recorded for ferric sulfate and aluminum sulfate. However, the three coagulants effectively removed bacterial pollution indicators, such as fecal coliforms and fecal streptococci.</p>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"278"},"PeriodicalIF":4.3,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12523028/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145297832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Triazolo pyrimidine derivatives of coumarin and benzocoumarin: green synthesis, biological activity screening study with in silico evaluation. 香豆素和苯并香豆素的三唑啉嘧啶衍生物:绿色合成、生物活性筛选研究及硅评价。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-14 DOI: 10.1186/s13065-025-01636-6
Hawazen M Hassanain, Meaad J Al-Zahrani, Roaa M Alreemi, Huda A Al-Ghamdi, Ahlam I Al-Sulami, Khadijah M Al-Zaydi
{"title":"Triazolo pyrimidine derivatives of coumarin and benzocoumarin: green synthesis, biological activity screening study with in silico evaluation.","authors":"Hawazen M Hassanain, Meaad J Al-Zahrani, Roaa M Alreemi, Huda A Al-Ghamdi, Ahlam I Al-Sulami, Khadijah M Al-Zaydi","doi":"10.1186/s13065-025-01636-6","DOIUrl":"10.1186/s13065-025-01636-6","url":null,"abstract":"<p><p>In the current study, triazolo pyrimidine coumarin and benzocoumarin derivatives were prepared using green methods as a fast and cost-efficient strategy in comparison with the traditional method in terms of reaction time and yield. Combining coumarins with other bioactive compounds could improve the anticancer properties and other biological activities. Therefore, both compounds were evaluated in silico as potential early-stage small molecule inhibitors of three targets, which cause four life-threatening diseases: leukaemia FLT3 (PDB: 4XUF), SARS-COV-2 (3CLpro) (PDB: 6M2N), and adenosine A1 receptors A1R (PDB: 5N2S), which could cause heart failure and Alzheimer's disease. It was discovered that both compounds show promising results against the three targets. However, benzocoumarin shows an advantage over coumarin compounds. The effects of modifications to the coumarin core have been studied using an in silico technique that evaluates pharmacokinetics, absorption, distribution, metabolism, excretion, and toxicity of these compounds, showing promising results as an early-stage drug. However, both compounds were predicted to be highly absorbed from the gastrointestinal tract and enter the blood-brain barrier efficiently. The predicted oral toxicity of both compounds was LD50 = 350 mg/kg, putting both of them in the IV toxicity class. The optical properties of coumarin and benzocoumarin compounds were also investigated.</p>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"276"},"PeriodicalIF":4.3,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12519810/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145290688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel xanthan gum hydrogels boosted with crosslinked carboxymethyl chitosan and zinc oxide nanoparticles: synthesis, characterization and biological activity evaluation 交联羧甲基壳聚糖和氧化锌纳米颗粒增强的新型黄原胶水凝胶:合成、表征和生物活性评价
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-10 DOI: 10.1186/s13065-025-01628-6
Dalal M. S. Almuthaybiri, Fahad M. Alminderej, Nadia A. Mohamed
{"title":"Novel xanthan gum hydrogels boosted with crosslinked carboxymethyl chitosan and zinc oxide nanoparticles: synthesis, characterization and biological activity evaluation","authors":"Dalal M. S. Almuthaybiri,&nbsp;Fahad M. Alminderej,&nbsp;Nadia A. Mohamed","doi":"10.1186/s13065-025-01628-6","DOIUrl":"10.1186/s13065-025-01628-6","url":null,"abstract":"<div><p>Novel series of carboxymethyl chitosan (CMCs)-based hydrogels was prepared using blends of various weight ratios of CMCs and xanthan gum (XG), followed by their crosslinking utilizing trimellitic anhydride isothiocyanate (TAI) in a concentricity relied on the CMCs proportion. The weight ratios of CMCs:XG were 1:3, 1:1, and 3:1, yielding three hydrogels designated by CMCs/XG(1:3), CMCs/XG(1:1), and CMCs/XG(3:1), respectively. For comparing, CL-CMCs was fabricated by crosslinking pure CMCs utilizing TAI. The hydrogels were modified via loading different concentrations of ZnONPs into their matrices, producing CMCs/XG(1:3)/ZnONPs-3%, CMCs/XG(1:3)/ZnONPs-5%, CMCs/XG(3:1)/ZnONPs-3% and CMCs/XG(3:1)/ZnONPs-5%. The chemical, inner, and morphological structures of the hydrogels and their ZnONPs composites were affirmed using the appropriate analytical instruments. Their inhibition performance against the microbes and biofilms was ordered as: CMCs/XG(3:1)/ZnONPs-5% &gt; CMCs/XG(3:1)/ZnONPs-3% &gt; CMCs/XG(1:3)/ZnONPs-5% &gt; CMCs/XG(1:3)/ZnONPs-3% &gt; CL-CMCs &gt; CMCs/XG(3:1) &gt; CMCs/XG(1:1) &gt; CMCs/XG(1:3) &gt; CMCs. While XG doesn’t possess an inhibitory performance against the inspected microbes and biofilms. The CMCs/XG(3:1)-ZnONPs-5% was more effective than <i>Amphotericin B</i> and<i> Vancomycin</i> against almost all the inspected microbial strains. It was secure on the normal human cells. So, incorporation of CL-CMCs and ZnONPs with XG in the same formulations substantially boosted the inhibition efficiency of the produced composites against microbes and biofilms.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01628-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145256083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, characterization, biological and in-silico evaluation of cuminaldehyde derivatives 孜然醛衍生物的合成、表征、生物学和硅评价。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-06 DOI: 10.1186/s13065-025-01432-2
Neetu Singh, Surender Singh Yadav, Sanjiv Kumar, Balasubramanian Narasihman, Kalavathy Ramasamy, Siong Meng Lim, Syed Adnan Ali Shah
{"title":"Synthesis, characterization, biological and in-silico evaluation of cuminaldehyde derivatives","authors":"Neetu Singh,&nbsp;Surender Singh Yadav,&nbsp;Sanjiv Kumar,&nbsp;Balasubramanian Narasihman,&nbsp;Kalavathy Ramasamy,&nbsp;Siong Meng Lim,&nbsp;Syed Adnan Ali Shah","doi":"10.1186/s13065-025-01432-2","DOIUrl":"10.1186/s13065-025-01432-2","url":null,"abstract":"<div><p><i>Cuminum cyminum</i> L. is a versatile spice belonging to the family Apiaceae. It exhibits numerous culinary, traditional, and pharmacological attributes. All therapeutic effectiveness of <i>C. cyminum</i> is rendered by its active phytoconstituents. Cuminaldehyde is considered as the major phytocompounds of <i>C. cyminum</i> responsible for the plant’s diverse health attributes. Therefore, in the present study, it was hypothesized that cuminaldehyde derivatives exhibited better pharmacological potential than cuminaldehyde. Therefore, cuminaldehyde derivatives were synthesized, characterized and assessed for their antimicrobial, antioxidant and cytotoxic activities. Cumin essential oil (E.O.B) was also extracted from cumin seeds via the Clevenger apparatus, characterized by GC–MS and pharmacologically compared with newly synthesized cuminaldehyde derivatives (NS-1B to NS-10B). Results revealed that higher antibacterial activity was observed in compounds, E.O.B (ZI<sub>ec</sub> = 15.0 ± 0.09 mm), NS-7B (ZI<sub>ec</sub> = 14.0 ± 0.08 mm, MIC<sub>ec</sub> = 6.25 mg/mL) whereas the highest antifungal activities were noticed in E.O.B (ZI<sub>ao</sub> = 12.3 ± 0.12 mm), NS-7B (ZI<sub>fo</sub> = 12.4 mm, MIC<sub>ao, fo</sub> = 12.5 mg/mL). Compounds NS-1B (% RSA<sub>DPPH</sub> = 84.39, % RSA<sub>ABTS</sub> = 85.16) and NS-7B (% RSA<sub>DPPH</sub> = 82.65, % RSA<sub>ABTS</sub> = 84.08) had higher antioxidant potential. The highest cytotoxicity was exhibited by compound NS-1B (IC50 = 20.6 µg/mL) and NS-7B (IC50 = 26.1 µg/mL). Compound NS-7B had the highest docking score (-8.372). Results indicated compound NS-7B most suitable pharmacological compound. Hence, further in-depth studies may be conducted on NS<b>-</b>7B for drug development.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502222/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chitosan-Al₂O₃ green hydrogel composites: a sustainable approach for Cr(VI) removal from simulated solution 壳聚糖- al₂O₃绿色水凝胶复合材料:一种从模拟溶液中去除Cr(VI)的可持续方法。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-06 DOI: 10.1186/s13065-025-01633-9
Rasha S. Kamal, Ebtehal Mosaad Ahmed, Amr Feteha, Mohamed S. Behalo, Manar E. Abdel-Raouf
{"title":"Chitosan-Al₂O₃ green hydrogel composites: a sustainable approach for Cr(VI) removal from simulated solution","authors":"Rasha S. Kamal,&nbsp;Ebtehal Mosaad Ahmed,&nbsp;Amr Feteha,&nbsp;Mohamed S. Behalo,&nbsp;Manar E. Abdel-Raouf","doi":"10.1186/s13065-025-01633-9","DOIUrl":"10.1186/s13065-025-01633-9","url":null,"abstract":"<div><p>Extensive industrial activities discharge huge amounts of different pollutants into water bodies. Among these pollutants, heavy metals stand as the most poisonous species due to their resistance to biodegradation and their short- and long-term exposure effects. More specific, Cr(VI) is one of the top-five toxic elements that pose potent toxicity to the entire environmental system. In this study, six modified chitosan hydrogel composites (Categorized in two groups and comprised of chitosan or carboxymethyl chitosan crosslinked with acrylamide and incorporating aluminum oxide as an inorganic core) were prepared under the influence of gamma irradiation at an optimized dose (30 kGy) as a facile, environmentally friendly technique. These hydrogels were employed for the removal of Cr(VI) from aqueous solution considering various variables that influencing removal performance, taking structural variation into consideration. The removal process was followed by the AFM to compare between the chromium-free and chromium-loaded surfaces. According to the experimental findings, the following circumstances were ideal for maximizing dye uptake by the optimized samples: pH 2, 120-min contact duration, 0.1 g of sorbent, and a metal concentration of 50 ppm. The maximum metal uptake was achieved by the prepared green sorbents was found competitive (ranging from 48.9 to 51.5 mg/g). Moreover, all the investigated sorbents showed strong removal efficiency and adsorption capability after four cycles of sorption/desorption. However, it was found that the adsorption capacities of the second group's elements was higher than that of the first group. Additionally, the data demonstrated that the adsorption process conformed the pseudo-first order kinetic isotherm and best fit the Freundlich model imposing multilayer adsorption of Cr(VI) onto the sorbent matrix via several mechanisms which is consistent with variable functionalities in the hydrogel matrix.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502600/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Response surface optimized removal of cefixime from wastewater samples using magnetic ferric oxide nanoparticles 利用磁性氧化铁纳米颗粒优化响应面去除废水样品中的头孢克肟。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-06 DOI: 10.1186/s13065-025-01635-7
Rana W. Gaber, Amr M. Mahmoud, Sarah S. Saleh
{"title":"Response surface optimized removal of cefixime from wastewater samples using magnetic ferric oxide nanoparticles","authors":"Rana W. Gaber,&nbsp;Amr M. Mahmoud,&nbsp;Sarah S. Saleh","doi":"10.1186/s13065-025-01635-7","DOIUrl":"10.1186/s13065-025-01635-7","url":null,"abstract":"<div><p>Cefixime is a broad-spectrum cephalosporin antibiotic that is orally administrated to treat bacterial infections diagnosed from mild to moderate ones. Since cefixime is considered a widely used antibiotic in many countries, it was important to develop a method for its removal from water as a part of water purification using an adsorption technique with different nanoparticles. In order to optimize its removal conditions, a fractional factorial design was applied to screen experimental factors including pH, contact time, and amounts of nanoparticles. A three-factor, two-level I-optimal design was designed using Derringer’s desirability algorithm, in which the optimal removal conditions of cefixime were found to be Fe<sub>3</sub>O<sub>2</sub> dose (13 mg/L), pH (5.9), and contact time (180 min) at room temperature. An HPLC method was developed for monitoring the adsorption process using a Kinetex C<sub>18</sub> stationary phase (100 mm L × 4.6 mm i.d., particle size 5 μm, USA), and a mobile phase consisting of phosphate buffer (adjusted to pH 6.8) and methanol in the ratio of 75: 25 which was pumped at a flow rate of 1 mL/min at room temperature with UV detection at 288 nm. The proposed HPLC method was validated according to ICH guidelines and was assessed using the greenness tools Analytical Eco-scale (AES), GAPI, and AGREE. The removal and analysis procedures were successfully applied to simulated wastewater samples containing cefixime with a bias of 1.9%. The method can be easily applied for large-scale water treatment.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12502269/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Flufenamic acid-based sulfonohydrazide and acetamide derivatives NSAI as inhibitors of multi-targets COX-1/COX-2/5-LOX: design, synthesis, in silico ADMET and binding mode studies 基于氟胺酸的磺酰肼和乙酰胺衍生物NSAI作为多靶点COX-1/COX-2/5-LOX抑制剂:设计、合成、硅ADMET和结合模式研究
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-10-03 DOI: 10.1186/s13065-025-01566-3
Shaimaa Hussein, Eman A. Fayed, Ahmed Ragab, Moustafa S. Abusaif, Yousry A. Ammar, Reda El-Sayed Mansou, Arafa Musa, Triveena M. Ramsis
{"title":"Flufenamic acid-based sulfonohydrazide and acetamide derivatives NSAI as inhibitors of multi-targets COX-1/COX-2/5-LOX: design, synthesis, in silico ADMET and binding mode studies","authors":"Shaimaa Hussein,&nbsp;Eman A. Fayed,&nbsp;Ahmed Ragab,&nbsp;Moustafa S. Abusaif,&nbsp;Yousry A. Ammar,&nbsp;Reda El-Sayed Mansou,&nbsp;Arafa Musa,&nbsp;Triveena M. Ramsis","doi":"10.1186/s13065-025-01566-3","DOIUrl":"10.1186/s13065-025-01566-3","url":null,"abstract":"<div><p>Although inflammation triggers immune-mediated healing and repair, chronic inflammation can result in several diseases. Cyclooxygenase (COX) enzymes are inhibited by NSAIDs, which are used to relieve the symptoms of inflammation. Meclofenamic and Zileuton are examples of dual COX/LOX inhibitors that provide improved stomach protection and safer cardiovascular characteristics. This study was aimed to develop anti-inflammatory medications with improved safety profiles by presenting novel flufenamate conjugates that combine 5-LOX inhibitor efficacy with COX inhibition. The COX-1 inhibition of compounds <b>14</b> and <b>15</b> was higher than that of Celecoxib (IC<sub>50</sub> = 77.4 µM), with an IC<sub>50</sub> range of 15–26 µM. Compounds <b>14</b> and <b>16</b> showed the best selectivity indices (ratio between IC<sub>50</sub> of COX-1 and COX-2), which were 5.01 and 5.86 µM, respectively. Conjugates 14 and 16 displayed excellent COX-2 inhibiting activity, with IC<sub>50</sub> values of 5.0 -17.6 µM. Outstanding 5-LOX inhibition was demonstrated by all conjugates, with IC<sub>50</sub> values varying between 0.6 and 8.5 µM. In RAW 264.7 cells, compounds <b>14</b> and <b>15</b> significantly decreased PGE2 levels to a range of 61–89 pg/mL in contrast to Celecoxib (119.9 pg/mL). Compounds <b>14</b> and <b>17</b> showed exceptional NO scavenging action, with IC<sub>50</sub> values of 0.238 × 10<sup>6</sup> and 0.289 × 10<sup>6</sup> µM, respectively. mTOR levels dramatically diminished for all conjugates. Conjugates <b>14</b> and <b>17</b> markedly raised levels nrf2. Molecular docking studies were used to validate the findings of this investigation. </p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01566-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recycled aluminum foil waste-derived nano-aluminum oxide adsorbent: an eco-friendly solution for treating phenolic wastewater 再生铝箔废弃物衍生的纳米氧化铝吸附剂:处理含酚废水的环保解决方案。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-09-30 DOI: 10.1186/s13065-025-01612-0
Sara B. Babili, Amina BiBi, Mohammad A. Al-Ghouti
{"title":"Recycled aluminum foil waste-derived nano-aluminum oxide adsorbent: an eco-friendly solution for treating phenolic wastewater","authors":"Sara B. Babili,&nbsp;Amina BiBi,&nbsp;Mohammad A. Al-Ghouti","doi":"10.1186/s13065-025-01612-0","DOIUrl":"10.1186/s13065-025-01612-0","url":null,"abstract":"<div><p>This study explored the potential of repurposing domestic foil waste to synthesize nano-aluminum oxide (nano-γ-Al<sub>2</sub>O<sub>3</sub>) for effective phenol removal from wastewater. The synthesized nano-aluminum oxide was comprehensively characterized using Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Energy-dispersive X-ray (EDX) spectroscopy, Brunauer-Emmett-Teller (BET) surface area analysis, and Fourier-transform Infrared Spectroscopy (FTIR). Characterization revealed functional groups including C = O, C–H, C–O, O–H, and C–C, which facilitate phenol adsorption on the material surface. Batch studies evaluated factors such as initial phenol concentration, pH, temperature, and desorption efficiency. Optimal phenol removal was achieved at pH 8.0 with a maximum adsorption capacity (q<sub>max</sub>) of 48.54 mg/g at 35 °C. The thermodynamic analysis indicated a spontaneous and exothermic adsorption process, with ΔH° of -77.6 kJ/mol and ΔS° of 232.2 J/mol·K. The adsorption was attributed to non-covalent interactions between the highest occupied molecular orbital (HOMO) of phenol and the lowest unoccupied molecular orbital (LUMO) of nano-γ-Al<sub>2</sub>O<sub>3</sub>. In addition, the adsorbent demonstrated effective regeneration using NaOH and effectively removed phenol in real wastewater samples. These findings highlight the potential of waste-derived nano-adsorbents as sustainable solutions for wastewater treatment.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01612-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145197564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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