BMC Chemistry最新文献_第7页

Green synchronous spectrofluorimetric analysis of remdesivir, the first approved antiviral, with levodropropizine as add-on therapy for covid-19: application in their pharmaceutical dosage form, and spiked human plasma 首个获批的抗病毒药物瑞德西韦与左旋丙哌嗪作为covid-19附加疗法的绿色同步荧光光谱分析：以其药物剂型应用，以及加标人血浆

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-05-02 DOI: 10.1186/s13065-025-01480-8

Sobhy M. El-Adl, Abdalla A. El-Shanawani, Eman A. Madbouly, Ahmed S. Abdelkhalek

{"title":"Green synchronous spectrofluorimetric analysis of remdesivir, the first approved antiviral, with levodropropizine as add-on therapy for covid-19: application in their pharmaceutical dosage form, and spiked human plasma","authors":"Sobhy M. El-Adl, Abdalla A. El-Shanawani, Eman A. Madbouly, Ahmed S. Abdelkhalek","doi":"10.1186/s13065-025-01480-8","DOIUrl":"10.1186/s13065-025-01480-8","url":null,"abstract":"<div><p>It was the first time that a spectrofluorimetric approach for the simultaneous analysis of remdesivir and levodropropizine had been achieved. This study aims to propose an accurate and sensitive second-derivative synchronous spectrofluorimetric approach for measurement of remdesivir and levodropropizine in different matrices simultaneously without the need for prior separation. The proposed approach measured the synchronous fluorescence intensity of pharmaceuticals under research at a constant wavelength difference (Δλ) = 130 nm. For the quantitative analysis of remdesivir and levodropropizine, the peak amplitudes of the second derivative were measured at 390 and 399 nm, respectively. The procedure was completely validated and demonstrated outstanding linearity in the concentration ranges of 5–150 ng mL<sup>− 1</sup> and 10–600 ng mL<sup>− 1</sup> for remdesivir and levodropropizine, respectively. The new method was used to quantitatively analyze both drugs in their pharmaceutical dosage form, synthetically formulated mixture and spiked human plasma. A statistical comparison of the results with other published analytical techniques revealed no significant difference. The validation of the procedure was successfully completed in compliance with ICH guidelines. In terms of greenness, EcoScale and GAPI greenness tools were used to evaluate the analytical methodology.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01480-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900620","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

Green synthesis, characterization, in silico molecular docking and biological evaluation of imidazolylchalcones as promising fungicide/s and nematicide/s 咪唑基查尔酮作为有前景的杀菌剂和杀线虫剂的绿色合成、表征、硅分子对接及生物学评价

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-29 DOI: 10.1186/s13065-025-01451-z

Rakesh Kumar, Parshant Kaushik, Kailashpati Tripathi, Rajni Godara, Sameer Ranjan Misra, Vijay Kumar, Partha Chandra Mondal, Jeetram, Pankaj, Virendra Singh Rana, V. Shanmugam, Dilip Khatri, Najam Akhtar Shakil

{"title":"Green synthesis, characterization, in silico molecular docking and biological evaluation of imidazolylchalcones as promising fungicide/s and nematicide/s","authors":"Rakesh Kumar, Parshant Kaushik, Kailashpati Tripathi, Rajni Godara, Sameer Ranjan Misra, Vijay Kumar, Partha Chandra Mondal,  Jeetram,  Pankaj, Virendra Singh Rana, V. Shanmugam, Dilip Khatri, Najam Akhtar Shakil","doi":"10.1186/s13065-025-01451-z","DOIUrl":"10.1186/s13065-025-01451-z","url":null,"abstract":"<div><p>Chalcones are known for their broad biological activities, which can be enhanced by incorporating heterocyclic moieties. Imidazole, recognized for its diverse properties, was introduced into a series of imidazolylchalcone derivatives (3a–3o) synthesized via Claisen-Schmidt condensation of benzaldehydes (2a–2o) and 4-(Imidazol-1-yl) acetophenone (1a) using ultrasonication as a green method. These compounds were characterized by spectroscopic techniques such as 1H-NMR, 13C-NMR, LC-HRMS and evaluated for fungicidal and nematicidal activity. Compound 3 h showed highest fungicidal activity against <i>Rhizoctonia solani</i> (ED₅₀ = 0.69 μg/mL), outperforming commercial hexaconazole (ED₅₀ = 3.57 μg/mL). Compound 3d exhibited the highest activity against <i>Fusarium oxysporum</i> (ED₅₀ = 119.22 μg/mL), while 3f was most effective against <i>Meloidogyne incognita</i> (LC₅₀ = 33.62 μg/mL), though less active than commercial Velum Prime (LC₅₀ = 3.46 μg/mL). The compounds potential activity may results from interactions of electronegative atom with enzyme active sites via hydrogen bonding. Docking studies against fungal cutinase and nematode acetylcholinesterase supported the in-vitro findings. Promising compounds will undergo further in-vivo and field trials for antifungal and antinemic applications and developed a potent molecule.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01451-z","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143888534","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

Studies on solute–solute and solute–solvent interactions of quercetin and 7-hydroxy flavone with nicotinamide in hydro-ethanolic mixed solvents: bioflavonoid-HBD interactions by volumetric and acoustic analysis 槲皮素和7-羟基黄酮与烟酰胺在水乙醇混合溶剂中溶质-溶质和溶质-溶剂相互作用的研究：生物类黄酮- hbd相互作用的体积和声学分析

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-26 DOI: 10.1186/s13065-025-01463-9

Lokanath Sahoo, Rupesh Kumar Pradhan, Monalisa Mohapatra, Sulochana Singh

{"title":"Studies on solute–solute and solute–solvent interactions of quercetin and 7-hydroxy flavone with nicotinamide in hydro-ethanolic mixed solvents: bioflavonoid-HBD interactions by volumetric and acoustic analysis","authors":"Lokanath Sahoo, Rupesh Kumar Pradhan, Monalisa Mohapatra, Sulochana Singh","doi":"10.1186/s13065-025-01463-9","DOIUrl":"10.1186/s13065-025-01463-9","url":null,"abstract":"<div><p>The interaction between quercetin (QUE)<span>(/)</span>7-hydroxy flavone (7-HF) and nicotinamide (NAM) in drug formulations is an intriguing area of research due to their complementary biological effects. When used together, their combined actions can potentially offer synergistic therapeutic benefits. The objective of the present study is to analyze and interpret the types of interactions among various polar, non-polar, hydrophilic and hydrophobic parts of quaternary systems (QUE + water <span>(+text{ethanol})</span>+ NAM) and (7-HF + water <span>(+text{ethanol})</span>+ NAM) by volumetric and acoustic approach. The positive values of <span>({text{V}}_{upphi }^{0})</span> exhibit an increasing trend with temperature, indicating that there is a significant solute–solvent interaction in the investigated solutions. Positive partial molar expansibilities demonstrate that QUE/7-HF promotes solute–solvent interactions in the system and functions as a structure former in aqueous solutions. The partial isentropic compressibility, <span>({text{K}}_{text{s}}^{0})</span> values are higher in 7-HF than in QUE showing greater extent of molecular interactions in 7-HF. From the derived data, the types of solute–solvent and solute–solute interactions and the structural modifications of water molecules were interpreted as a result of the inclusion of QUE/7-HF (solute) and NAM (co-solute) in the solvation shells. This study may provide a better understanding regarding the stronger solute–solvent interactions and structure-building ability of QUE/7-HF + NAM in a hydro-ethanolic medium, which may further help develop a pharmaceutical formulation of their mixture.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01463-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143875474","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

Post-marketing quality assessment of some brands of rosuvastatin tablets available in Jos, North-Central Nigeria 尼日利亚中北部乔斯市某些品牌瑞舒伐他汀片剂的上市后质量评估

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-26 DOI: 10.1186/s13065-025-01470-w

Ukpe Ajima, Rosemary Chioma Omeni, Johnson Ogoda Onah, Jane David, John Owunebe Ehoche

{"title":"Post-marketing quality assessment of some brands of rosuvastatin tablets available in Jos, North-Central Nigeria","authors":"Ukpe Ajima, Rosemary Chioma Omeni, Johnson Ogoda Onah, Jane David, John Owunebe Ehoche","doi":"10.1186/s13065-025-01470-w","DOIUrl":"10.1186/s13065-025-01470-w","url":null,"abstract":"<div><p>Rosuvastatin is a synthetic statin medication approved for the management of lipid disorders and also for preventing cardiovascular disease in at-risk individuals. Generic rosuvastatin formulations have been developed which are comparatively lower in cost and also assumed to be bio-similar to the innovator brand Crestor<sup>®</sup>. The present study investigated the chemical and physical attributes together with the in vitro bioequivalence profiles of four generic brands of rosuvastatin calcium tablets marketed in Jos, Nigeria in comparison to the reference brand. The tablet dimensions (thickness and diameter), weight variation, friability, hardness, disintegration time and dissolution profiles were evaluated in accordance to standard procedures. The samples were also assayed using Ultraviolet–Visible spectrophotometry at wavelength of 242.5 nm in methanol. In vitro bioequivalence was evaluated by determining the difference (<span>({text{f}}_{1})</span>) and similarity (<span>({text{f}}_{2})</span>) factors. The generic brands all complied with the pharmacopoeial specifications for weight variation, friability and disintegration. In addition, the tablet brands tested all had active drug content ranging from 94.92 to 109.2% and released over 80% of rosuvastatin calcium within the first twenty minutes of the dissolution studies thereby complying with pharmacopoeial requirements for content and dissolution respectively. All brands had similarity factor (<span>({text{f}}_{2})</span>) values ranging from 50 to 100 and difference factor (<span>({text{f}}_{1})</span>) values between 0 to 15% at pH 6.6, thus implying that the brands can be used interchangeably with the innovator brand. The chemical and physical tests carried out reveal that the locally marketed brands of rosuvastatin calcium are of good quality and meet the required regulatory standards.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01470-w","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877688","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

Impurity profiling of paracetamol toxic impurities in pharmaceutical combination with ibuprofen and chlorzoxazone using HPLC and TLC densitometric methods 用高效液相色谱法和液相色谱密度计法分析扑热息痛与布洛芬和氯唑沙宗复方制剂中的有毒杂质

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-24 DOI: 10.1186/s13065-025-01466-6

Israa A. Wahba, Said A. Hassan, Ahmed S. Fayed, Sally S. El-Mosallamy

{"title":"Impurity profiling of paracetamol toxic impurities in pharmaceutical combination with ibuprofen and chlorzoxazone using HPLC and TLC densitometric methods","authors":"Israa A. Wahba, Said A. Hassan, Ahmed S. Fayed, Sally S. El-Mosallamy","doi":"10.1186/s13065-025-01466-6","DOIUrl":"10.1186/s13065-025-01466-6","url":null,"abstract":"<div><p>This work presents two methods for the simultaneous determination of ibuprofen (IBU), paracetamol (PAR), and chlorzoxazone (CHZ) in the presence of three PAR impurities: <i>p</i>-aminophenol (PAP), <i>p</i>-nitrophenol (PNP), and <i>p</i>-chloroacetanilide (PCA). Furthermore, both methods attempt to quantify these hazardous impurities. The first method is a thin layer chromatography densitometric method (TLC), where separation was achieved on silica gel 60 F<sub>254</sub> plates using a mobile phase consisting of chloroform, toluene, ethanol, and ammonia (7.0: 1.0: 1.6: 0.2, by volume). Densitometric detection was performed at 220.0 nm. The second method is a high-performance liquid chromatographic method (HPLC), in which the analytes were separated on an Xterra C8 column (150 × 4.6 mm, 5 µm) using an isocratic mobile phase of acetonitrile and phosphate buffer (pH 7.5) in a 30:70 (v/v) ratio. The UV detector was set at 220.0 nm, and the flow rate was maintained at 0.7 mL/min. Both methods were validated following ICH guidelines and successfully applied to the determination of IBU, PAR, and CHZ in their commercial tablet formulations. A statistical comparison with a previously reported method confirmed no discernible differences in the results, demonstrating the reliability and accuracy of the proposed techniques.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01466-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865516","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

Effect of H2O2 and pH on properties of myofibrillar proteins from Yak muscle during thermal gelation process 热凝胶过程中H2O2和pH对牦牛肌原纤维蛋白性质的影响

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-22 DOI: 10.1186/s13065-025-01434-0

Sha Qu, Dong Sun, Ting Hu, Gang Hao

{"title":"Effect of H2O2 and pH on properties of myofibrillar proteins from Yak muscle during thermal gelation process","authors":"Sha Qu, Dong Sun, Ting Hu, Gang Hao","doi":"10.1186/s13065-025-01434-0","DOIUrl":"10.1186/s13065-025-01434-0","url":null,"abstract":"<div><p>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 (<i>p</i> < 0.05). Increasing the H<sub>2</sub>O<sub>2</sub> interval at different pH levels significantly decreased (<i>p</i> < 0.05) the WHC, solubility, and texture of the protein gel, the average reduction was 7.5%, 27.5%, 12.5% respectively. The H<sub>2</sub>O<sub>2</sub> concentration and pH level substantially affected ionic and hydrogen bond formation (<i>p</i> < 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.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01434-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861390","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

Structure–activity relationship guided design, synthesis and biological evaluation of novel diaryl urea derivatives as antiproliferative agents 构效关系指导新型二芳基脲衍生物的设计、合成和生物学评价

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-22 DOI: 10.1186/s13065-025-01478-2

Fereshteh Azimian, Narges Cheshmazar, Narges Hosseini Nasab, Young Seok Eom, Rok Su Shim, Song Ja Kim, Mahrokh Dastmalchi, Siavoush Dastmalchi

{"title":"Structure–activity relationship guided design, synthesis and biological evaluation of novel diaryl urea derivatives as antiproliferative agents","authors":"Fereshteh Azimian, Narges Cheshmazar, Narges Hosseini Nasab, Young Seok Eom, Rok Su Shim, Song Ja Kim, Mahrokh Dastmalchi, Siavoush Dastmalchi","doi":"10.1186/s13065-025-01478-2","DOIUrl":"10.1186/s13065-025-01478-2","url":null,"abstract":"<div><p>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, <b>6a</b> emerged as the most potent antiproliferative agent with an IC<sub>50</sub> 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.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01478-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861394","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, physicochemical, XRD/HSA-interactions, heteromeric [CH···Cl/CH···πPh] synthon, DFT, thermal and 1BNA-DNA molecular coupling of cis-Ni(S, N)2 complex using hydrazine carbodithioate schiff base 利用碳二硫酸希夫碱肼合成顺式ni (S， N)2配合物，进行了理化、XRD/ hsa相互作用、[CH··Cl/CH··πPh]异聚物合成、DFT、热偶联和1na - dna分子偶联

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-22 DOI: 10.1186/s13065-025-01471-9

Ahmed Boshaala, Nawaf Al-Maharik, Hisham Qrareya, Abrahem F. Abrahem, Iman Muhmoud, Ibtisam Kaziri, Rabia Alghazeer, Nagi Greesh, Abdelkader Zarrouk, Khalil Shalalin, Ismail Warad

{"title":"Synthesis, physicochemical, XRD/HSA-interactions, heteromeric [CH···Cl/CH···πPh] synthon, DFT, thermal and 1BNA-DNA molecular coupling of cis-Ni(S, N)2 complex using hydrazine carbodithioate schiff base","authors":"Ahmed Boshaala, Nawaf Al-Maharik, Hisham Qrareya, Abrahem F. Abrahem, Iman Muhmoud, Ibtisam Kaziri, Rabia Alghazeer, Nagi Greesh, Abdelkader Zarrouk, Khalil Shalalin, Ismail Warad","doi":"10.1186/s13065-025-01471-9","DOIUrl":"10.1186/s13065-025-01471-9","url":null,"abstract":"<div><p>The reaction of bidentate-S, N-thione Schiff base ligand, Phenyl (E)-2-(1-phenylethylidene)-hydrazine-1-carbodithioate (PPEHCDT) with NiCl<sub>2</sub>.3H<sub>2</sub>O produced a neutral Ni<sup>II</sup>(S, N)<sub>2</sub> 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 <i>cis</i>-Ni(L)<sub>2</sub> formula. The XRD-results revealed a <i>cis</i>-isomer as anionic S-thiol and <i>bis</i>-bidentate-N-azomethine, as well as a slightly distorted square planar neutral <i>cis</i>-Ni(PPEHCDT)<sub>2</sub> 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 <i>via</i> C-H<sub>…</sub>.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 <i>cis</i>-Ni(PPEHCDT)<sub>2</sub> complex. Furthermore, it has been observed that the molecular docking of 1BNA-DNA with the free ligand is superior to that of the <i>cis</i>-Ni(PPEHCDT)<sub>2</sub> 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.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01471-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861391","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

Effect of calcination temperature on structural and magnetic properties of polypropylene glycol stabilized nickel ferrite nanoparticles 煅烧温度对聚丙二醇稳定镍铁氧体纳米粒子结构和磁性能的影响

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-21 DOI: 10.1186/s13065-025-01454-w

Samreen Zahra, Uzma Naz, Misbah Irshad, Asma Sheikh, Sarwat Zahra

{"title":"Effect of calcination temperature on structural and magnetic properties of polypropylene glycol stabilized nickel ferrite nanoparticles","authors":"Samreen Zahra, Uzma Naz, Misbah Irshad, Asma Sheikh, Sarwat Zahra","doi":"10.1186/s13065-025-01454-w","DOIUrl":"10.1186/s13065-025-01454-w","url":null,"abstract":"<div><h3>Background</h3><p>Aqueous route of sol–gel method was used to synthesize nanocrystalline nickel ferrite (NiFe<sub>2</sub>O<sub>4</sub>) 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.</p><h3>Results</h3><p>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.</p><h3>Conclusions</h3><p>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.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01454-w","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143852521","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

Cabbage waste derived activated carbon for removing hexavalent chromium from synthetic and tannery wastewater 白菜废活性炭去除合成革废水中的六价铬

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-04-20 DOI: 10.1186/s13065-025-01479-1

Emnet Berhane, Belay Negassa, Kebede Takele Ayansa, Dessalegn Dadi, Samuel Fekadu

{"title":"Cabbage waste derived activated carbon for removing hexavalent chromium from synthetic and tannery wastewater","authors":"Emnet Berhane, Belay Negassa, Kebede Takele Ayansa, Dessalegn Dadi, Samuel Fekadu","doi":"10.1186/s13065-025-01479-1","DOIUrl":"10.1186/s13065-025-01479-1","url":null,"abstract":"<div><p>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 H<sub>3</sub>PO<sub>4</sub> 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.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01479-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143852522","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