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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
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,&nbsp;Rupesh Kumar Pradhan,&nbsp;Monalisa Mohapatra,&nbsp;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
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,&nbsp;Rosemary Chioma Omeni,&nbsp;Johnson Ogoda Onah,&nbsp;Jane David,&nbsp;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,&nbsp;Said A. Hassan,&nbsp;Ahmed S. Fayed,&nbsp;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
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,&nbsp;Dong Sun,&nbsp;Ting Hu,&nbsp;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> &lt; 0.05). Increasing the H<sub>2</sub>O<sub>2</sub> interval at different pH levels significantly decreased (<i>p</i> &lt; 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> &lt; 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
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,&nbsp;Narges Cheshmazar,&nbsp;Narges Hosseini Nasab,&nbsp;Young Seok Eom,&nbsp;Rok Su Shim,&nbsp;Song Ja Kim,&nbsp;Mahrokh Dastmalchi,&nbsp;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
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,&nbsp;Nawaf Al-Maharik,&nbsp;Hisham Qrareya,&nbsp;Abrahem F. Abrahem,&nbsp;Iman Muhmoud,&nbsp;Ibtisam Kaziri,&nbsp;Rabia Alghazeer,&nbsp;Nagi Greesh,&nbsp;Abdelkader Zarrouk,&nbsp;Khalil Shalalin,&nbsp;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,&nbsp;Uzma Naz,&nbsp;Misbah Irshad,&nbsp;Asma Sheikh,&nbsp;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
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,&nbsp;Belay Negassa,&nbsp;Kebede Takele Ayansa,&nbsp;Dessalegn Dadi,&nbsp;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
Thiadiazole chitosan conjugates as a novel cosmetic ingredient for rinse-off hair conditioners: design, formulation, characterization and in silico-molecular docking studies
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-04-19 DOI: 10.1186/s13065-025-01404-6
Ahmad E. Mohamed, Walid E. Elgammal, Ahmed G. Ibrahim, Hamdy M. Dawaba, Eman S. Nossier, Aya M. Dawaba
{"title":"Thiadiazole chitosan conjugates as a novel cosmetic ingredient for rinse-off hair conditioners: design, formulation, characterization and in silico-molecular docking studies","authors":"Ahmad E. Mohamed,&nbsp;Walid E. Elgammal,&nbsp;Ahmed G. Ibrahim,&nbsp;Hamdy M. Dawaba,&nbsp;Eman S. Nossier,&nbsp;Aya M. Dawaba","doi":"10.1186/s13065-025-01404-6","DOIUrl":"10.1186/s13065-025-01404-6","url":null,"abstract":"<div><p>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<b>,</b> 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).</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":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01404-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848897","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
Introducing bimetallic MOF-based electrochemical sensor for voltametric nanogram determination of sulfadimidine: various applications and a comprehensive sustainability assessment
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2025-04-18 DOI: 10.1186/s13065-025-01465-7
Hind A. Abdullatif, Mohammed Abdelkawy, Shereen A. Boltia, Nesma M. Fahmy, Maha Kamal
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