Chemical Papers最新文献

{"title":"Synthesis of Faujasite-Na-type zeolite from partial de-aluminated metakaolin for removal of methylene blue from contaminated water","authors":"El-Sayed A. Ahmed,&nbsp;Nabil Abdullah Al-Sagheer,&nbsp;Taha A. Razek,&nbsp;Ahmed S. El-Gendy,&nbsp;Fayza S. Hashem","doi":"10.1007/s11696-025-03950-8","DOIUrl":"10.1007/s11696-025-03950-8","url":null,"abstract":"<div><p>In this study, Faujasite Na-zeolite was synthesized using a hydrothermal method involving partial de-alumination metakaolin (PDK), sodium hydroxide, and aluminum sulfate. PDK is the solid residue generated during the aluminum sulfate manufacturing process. The synthesized Faujasite-Na-zeolite was evaluated for its effectiveness in removing methylene blue (MB), a positively charged dye, from contaminated water. The prepared zeolite was characterized using several analytical techniques, including X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). The SEM micrographs revealed that the Faujasite possessed a high surface area and spherical crystals of diameters ≤ 1 micron. The efficiency of the synthesized Faujasite Na-zeolite in eliminating the methylene blue (MB) dye from tainted water was assessed. Various factors were tested including; the amount of zeolite added, the initial concentration of the dye, the removal temperature, the solution pH, and the contact period. The results indicated that the adsorption capacity of methylene blue wear (195.6 mg/g) was attained under the following conditions: an initial dye concentration of 0.1 g/L, a temperature of 55 °C, a contact period of 4 h, and a pH of 10. The adsorption data were analyzed using many isothermal models, including the Freundlich, Langmuir, and Temkin models. The findings suggested that the adsorption process is best fitted by the Freundlich isotherm model. Additionally, the kinetics of the adsorption process were investigated by applying pseudo 1st and pseudo 2nd models. The results indicated that a pseudo 1st order model effectively describes the adsorption behavior of the methylene blue dye using the Faujasite Na type zeolite.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 4","pages":"2505 - 2515"},"PeriodicalIF":2.2,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769649","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pyrazolo[3,4-d]pyrimidin-4-one derivatives bearing an aniline group: design, synthesis and antifungal activity","authors":"Xiaobin Wang,&nbsp;Huajian Chen,&nbsp;Lili Yan,&nbsp;Nan Zhang,&nbsp;Ruiying Wang,&nbsp;Ying Xu,&nbsp;Jiaying Zhu,&nbsp;Juan Zhang","doi":"10.1007/s11696-025-03973-1","DOIUrl":"10.1007/s11696-025-03973-1","url":null,"abstract":"<div><p>Detecting novel agricultural fungicides has be regarded as the important safeguard for maintaining the development of sustainable agriculture. Aiming to develop novel candidates of agricultural fungicides, the 3-(phenylamino)quinazolin-4(3<i>H</i>)-one emerging as a known antifungal skeleton was modified by assimilating a pyrazole fragment to construct nineteen novel pyrazolo[3,4-<i>d</i>]pyrimidin-4-one derivatives bearing an aniline group. After structural confirmations, the obtained pyrazolo[3,4-<i>d</i>]pyrimidin-4-one derivatives were evaluated for their antifungal activities against <i>Fusarium graminearum</i>, <i>Rhizoctonia solani</i>, <i>Botrytis cinerea</i> and <i>Alternaria solani</i>. The above antifungal bioassays indicated that some pyrazolo[3,4-<i>d</i>]pyrimidin-4-one derivatives bearing a bulky electronegative unit at the ortho-position of an aniline scaffold could exhibit the conspicuous antifungal effect against <i>F. graminearum</i>. Among them, the anti-<i>F. graminearum</i> EC₅₀ value of a target compound <b>5m</b> was measured as 5.61 μg/mL, which is distinctly superior to that of hymexazol (56.19 μg/mL). The above results provided a necessary replenishment for discovering novel antifungal leads owing the development prospect on effectively controlling Fusarium head blight.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 5","pages":"2873 - 2882"},"PeriodicalIF":2.2,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143930069","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing the efficiency of microcrystalline cellulose depolymerization through a sono-catalytic approach using Fe-kaolin as a heterogeneous catalyst","authors":"Nassim Sayoud,&nbsp;Abdennour Bouchair","doi":"10.1007/s11696-025-03970-4","DOIUrl":"10.1007/s11696-025-03970-4","url":null,"abstract":"<div><p>Microcrystalline cellulose (MCC) poses a significant challenge for biorefinery applications due to its recalcitrant nature. This study investigated a novel sono-catalytic Fenton pretreatment using Fe-modified kaolin (Fe-kaolin) to enhance MCC depolymerization. Systematic investigation of operational parameters (MCC loading, temperature, sonication time, and ultrasonic power) revealed optimal conditions for maximizing MCC solubilization (5 g loading, 80 °C, 3 h sonication, 80 W power). The pretreatment effectively reduced the degree of polymerization of MCC, as confirmed by viscometry. Kinetic analysis demonstrated that the ultrasonic depolymerization follows first-order kinetics, with an activation energy of 6.7 kJ/mol, suggesting a predominantly physical mechanism driven by acoustic cavitation. Subsequent hydrolysis of the pretreated MCC using H-kaolin catalyst achieved a glucose yield of 23% and a conversion of 55% at 200 °C for 3 h. The H-kaolin catalyst exhibited excellent recyclability over four consecutive cycles, maintaining consistent performance. This combined sono-catalytic Fenton pretreatment and solid acid hydrolysis approach offers a promising strategy for efficient and sustainable cellulose valorization.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 5","pages":"2845 - 2860"},"PeriodicalIF":2.2,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143930015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Utilizing BN-biphenylene nanosheet as a potential carrier for thioguanine: a promising drug delivery system","authors":"Yousef A. Bin Jardan,&nbsp;Yashwantsinh Jadeja,&nbsp;Soumya V. Menon,&nbsp;Debasish Shit,&nbsp;Girish Chandra Sharma,&nbsp;Mounir M. Bekhit,&nbsp;Rasha Ali Abdalhuseen,&nbsp;Salah Hassan Zain Al-Abdeen,&nbsp;Ruaa Sattar","doi":"10.1007/s11696-025-03956-2","DOIUrl":"10.1007/s11696-025-03956-2","url":null,"abstract":"<div><p>A substantial amount of research has been conducted on the development of innovative systems for drug delivery. This study explores the use of boron nitride biphenylene network (BPN–BN) as a BPN analog of biphenyl. DFT calculations were undertaken for examining the interactions between BPN–BN and thioguanine (THG), which is an anticancer drug. The THG/BPN–BN system was found to exhibit chemical reactivity, making it ideal for the bonding of THG with the adhesive site. Additionally, the non-covalent interaction analysis was conducted to understand the complexes of THG with BPN–BN, revealing that the interactions between THG and BPN–BN were strong. Consequently, it was confirmed that BPN–BN has the potential to serve as a potential nanocarrier for THG.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 4","pages":"2531 - 2540"},"PeriodicalIF":2.2,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A comparative study of entropy measure using logarithmic and power regression models for rhenium disulfide network","authors":"Nasreen Ebrahim Almohanna,&nbsp;Muhammad Farhan Hanif,&nbsp;Khawlah Hamad Alhulwah,&nbsp;Mazhar Hussain,&nbsp;Muhammad Kamran Siddiqui","doi":"10.1007/s11696-025-03967-z","DOIUrl":"10.1007/s11696-025-03967-z","url":null,"abstract":"<div><p>Two-dimensional rhenium disulfide is a new member of the transition metal dichalcogenides family and has some unique structural properties, including weak band renormalization, limited interlayer coupling, and absence of interlayer registry due to Peierls distortion within its framework. These properties make it an attractive material for various applications in nanotechnology and materials science. The objective of the current study has gone into computing a number of connection-based invariants useful for the computations of different various types of Zagreb indices, using rhenium disulfide as mathematical descriptor carrying the main ideas on the material’s structural property. Further, from these calculated indices, it comes out on a method of measuring its entropy that is the real key value on quantification for disorderliness or structure complexity of that matter. We consider here a logarithmic regression model along with the power one so as to show the entropy computed index variation analysis. Results indicated a much better fit of the logarithmic regression model than that of power regression. This finding confirmed that the logarithmic model described the rhenium disulfide connection characteristics properly and provided important insights into its structural behavior and functional uses. The results of this work have important consequences in nanotechnology and in materials science, particularly in relation to optimizing rhenium disulfide’s structure analysis for electronic and optoelectronic application. Details regarding variation in entropy through topological indices can have consequences in terms of theoretical modeling of behavior in a material in semiconductor technology and in technology for storing energy.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 5","pages":"2783 - 2799"},"PeriodicalIF":2.2,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143929993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: Current applications of functionalized reduced graphene oxide-based semiconductors for photocatalytic removal of pollutants from wastewater: a review","authors":"Mojtaba Davoudi,&nbsp;Fatemeh Kariminejad,&nbsp;Somayeh Rahdar,&nbsp;Chinenye Adaobi Igwegbe","doi":"10.1007/s11696-025-03954-4","DOIUrl":"10.1007/s11696-025-03954-4","url":null,"abstract":"","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 4","pages":"2637 - 2637"},"PeriodicalIF":2.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769962","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interaction of 1-hexyl-3 methylimidazolium bromide ionic liquid with methylparaben drug in aqueous solution: conductometric and molecular dynamics studies","authors":"Roghayeh Darvishi Gilandooz,&nbsp;Bahram Ghalami-Choobar,&nbsp;Mohaddeseh Habibzadeh Mashatooki","doi":"10.1007/s11696-025-03946-4","DOIUrl":"10.1007/s11696-025-03946-4","url":null,"abstract":"<div><p>In this research, the thermodynamic properties and molecular interactions of 1-hexyl-3-methylimidazolium bromide + methylparaben + water system were reported using conductometric method and molecular dynamics simulations. The conductometric data were collected for 1-hexyl-3-methylimidazolium bromide ionic liquid from 0.0012 to 0.1983 mol kg⁻¹ on various molality of methylparaben in aqueous solution (<i>m</i>_MP = 0.0000, 0.0005 and 0.0010 mol kg⁻¹) at <i>T</i> = (300.2, 310.2 and 320.2) K and <i>P</i> = 0.1 MPa. Fuoss–Onsager equation was applied to get the ion association constants and limiting molar conductivities of ionic liquid and to determine the thermodynamic of ion association. Moreover, molecular dynamics simulations were made to understand the interactions between ionic liquid and methylparaben at the molecular and microscopic level. Radial distribution functions, root-mean-square deviations, hydrogen bonding and van der Waals and electrostatic interactions were obtained. Furthermore, the diffusion coefficients of ionic liquid in methylparaben and water mixtures were obtained from molecular dynamics simulation to calculate the molar conductivity of 1-hexyl-3-methylimidazolium bromide using Einstein’s Nernst equation at <i>T</i> = 310.2 K and were in agreement with experimental molar conductivity.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 4","pages":"2471 - 2482"},"PeriodicalIF":2.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel thermoelectric materials: free-standing poly(ε-caprolactone)/poly(m-anthranilic acid)/Fe2O3, Fe3O4 nanofibers","authors":"Azra Huner","doi":"10.1007/s11696-025-03962-4","DOIUrl":"10.1007/s11696-025-03962-4","url":null,"abstract":"<div><p>Owing to global warming and the shortage of fossil fuel reserves, there has been a search for sustainable and cleaner energy sources. Thermoelectric (TE) generators, which are environmentally friendly alternatives using the Seebeck effect, can generate electricity with some of the waste heat and contribute to slowing the rate of global warming. It can be said that thermoelectric polymer materials have become more attractive than inorganic thermoelectric materials due to their high mechanical elasticity, non-toxicity, low cost, easy processability, and poor thermal conductivity. However, since the thermoelectric properties alone are not sufficient, the thermoelectric properties can be increased by adding conductive polymers, organic, inorganic, or polymeric nanoparticles. In this study, free-standing and flexible nanofiber composites were obtained with poly(ε-caprolactone) (PCL), poly(m-anthranilic acid) (PANA), Fe₂O₃, and Fe₃O₄ by the electrospinning method. The TE properties of the obtained nanofiber were investigated. The highest Seebeck coefficient and thermoelectric power factor were obtained from PCL/PANA/Fe₃O₄ nanofiber composite as 49 µV/K and 0.13 µW/mK², respectively. Nanofibers were characterized by XRD and FTIR, and their surface morphology was examined by SEM.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 4","pages":"2603 - 2610"},"PeriodicalIF":2.2,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational and experimental studies on the use of p-tert-butylcalix[4]crown-6 ether as an extractor for cesium","authors":"Arvind Kumar,&nbsp;Keloth Sairam,&nbsp;Rajesh Kumar,&nbsp;Meganathan Thirumal,&nbsp;Satish Kumar","doi":"10.1007/s11696-025-03963-3","DOIUrl":"10.1007/s11696-025-03963-3","url":null,"abstract":"<div><p>A new <i>p-tert</i>-butylcalix[4]crown-6 ether derivative was synthesized as a potential extractant for cesium and other alkali metal ions from water. The synthesized <i>p-tert</i>-butylcalix[4]crown-6 ether derivative was characterized via spectroscopic methods. The <i>p-tert</i>-butylcalix[4]crown-6 ether derivative was employed for the extraction of alkali metal ions as picrate and witnessed selective cesium ion extraction from the aqueous to organic phase with high efficiency. Both UV–Vis and atomic absorption spectrometry were used to assess the extraction efficiency. This material can be used in water purification systems for removing nuclear radioisotope cesium. The <i>p-tert</i>-butylcalix[4]crown-6 ether derivative was also analyzed using M06-2X/6-31G(d)/LANL2DZ methods. The computational method suggested the role of O–H⋯O and O–H⋯π interactions in the stability of different conformers of <i>p-tert</i>-butylcalix[4]crown-6 ether derivative. Moreover, it was witnessed through calculations that three conformers of <i>p-tert</i>-butylcalix[4]crown-6 ether derivative (cone, partial cone, and 1,3-alternate) can form a complex with cesium ion.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 4","pages":"2611 - 2620"},"PeriodicalIF":2.2,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cross-linked polyaniline/graphene-MWCNT nanocomposite as an adsorbent for removing organic dye from environmental water samples: kinetic, isotherm, and thermodynamic studies","authors":"Mohamed A. Abdel-Fadeel,&nbsp;Raja Saad Alruwais","doi":"10.1007/s11696-025-03922-y","DOIUrl":"10.1007/s11696-025-03922-y","url":null,"abstract":"<div><p>This study elucidates a fast, uncomplicated, convenient, and environmentally friendly technique for removing hazardous dyes such as acid red (AR1) and methylene blue (MB) from aquatic solutions. The process of adsorption was employed to eliminate AR1 and MB dyes by utilizing nanocomposite (NCs) consisting of cross-linked polyaniline (ClPani) combined with variety carbon nanomaterials (CNMs). ClPani was synthesized using aniline (ANI) and p-phenylenediamine (PPDA) were chemically oxidatively copolymerized with triphenylamine (TPA) at the existence of carbon nanomaterials (CNMs), namely, Graphene (Gr), multi-walled carbon nanotube (MW), and graphene-multi-walled carbon nanotube (Gr-MW). The characteristics of the NCs, including their shape, structure, and thermal properties, were analyzed using various techniques. When compared to other nanocomposites, the adsorption analysis demonstrated that ClPani/Gr-Mw exhibited the highest removal effectiveness for AR1 and MB dyes. Different factors that impact adsorption efficacy, including pH solution, adsorbent mass, temperature, the duration of shaking, and KNO₃ concentration. The efficiency of AR1 and MB dyes' adsorption on ClPani/Gr-Mw was studied kinetically, and the obtained data showed the processes followed a pseudo-second-order system. The Langmuir model was determined to be appropriate for telling the isotherm behavior of dye removal by ClPani/Gr-Mw, under optimal conditions. The maximal adsorption capacity was found to be 153.8 mg g⁻¹ for AR1 and 46.1 mg g⁻¹ for MB. Furthermore, the thermodynamic study suggests that the elimination of AR1 and MB dyes is a process that absorbs heat, while the attachment of dyes is a procedure that involves chemical bonding and occurs naturally. Ultimately, the removal effectiveness of AR1 and MB dyes was tested on three distinct actual samples using ClPani/Gr-Mw, resulting in a (<i>E</i>%) exceeding 94%. In summary, ClPani/Gr-Mw was found to be a cost-effective and environmentally acceptable chemical for effectively eliminating the hazardous dyes AR1 and MB.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 4","pages":"2247 - 2266"},"PeriodicalIF":2.2,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}