Semnan University PressApplied Chemistry Today2981-2437207420241221Preparation and in vitro Evaluation of Chitosan / Alginate Hydrogel Containing Dexamethasone-Loaded Selenium NanoparticlesPreparation and in vitro Evaluation of Chitosan / Alginate Hydrogel Containing Dexamethasone-Loaded Selenium Nanoparticles924923810.22075/chem.2024.35106.2307FAZahraKaramiDepartment of Pharmaceutical Nanotechnology, School of Pharmacy, Zanjan University of Medical Sciences, Zanjan, IranZahraFazeliDepartment of Pharmaceutical Nanotechnology, School of Pharmacy, Zanjan University of Medical Sciences, Zanjan, IranMehrdadHamidiPharmaceutical Nanotechnology Research Center, Zanjan University of Medical Sciences, Zanjan, IranJournal Article20240908In the present study, we developed a tissue engineering scaffold for brain injuries, particularly stroke treatment, by loading dexamethasone-containing selenium nanoparticles into a chitosan-alginate hydrogel. FTIR, DLS, XRD, and AFM analysis confirmed the successful preparation of dexamethasone-loaded selenium-chitosan nanocomposites (DEX@Cs-SeNPs). The nanocomposite's average hydrodynamic diameter and zeta potential were 214.2 nm and +34.1 mV, respectively. The hydrogel was then made from chitosan and alginate polymers due to the ionic interaction. Scanning electron microscopy and elemental mapping analysis confirmed the incorporation of selenium nanoparticles into the chitosan-alginate hydrogel. The encapsulation efficiency and drug loading capacity were 93.1±3.6% and 15.05±2.4%, respectively. Approximately 70% of the drug was released from hydrogel after 160 hours in phosphate-buffered saline. The percentage of swelling and porosity of the hydrogel was calculated as 196% and 65%, respectively. DEX@Cs-SeNPs@Cs/Alg Hydrogel showed a hemolysis percentage of 4.6% at a concentration of 2 mg/mL. Based on the results obtained in this study, DEX@Cs-SeNPs@Cs/Alg Hydrogel can be considered promising as a scaffold for brain tissue engineering.In the present study, we developed a tissue engineering scaffold for brain injuries, particularly stroke treatment, by loading dexamethasone-containing selenium nanoparticles into a chitosan-alginate hydrogel. FTIR, DLS, XRD, and AFM analysis confirmed the successful preparation of dexamethasone-loaded selenium-chitosan nanocomposites (DEX@Cs-SeNPs). The nanocomposite's average hydrodynamic diameter and zeta potential were 214.2 nm and +34.1 mV, respectively. The hydrogel was then made from chitosan and alginate polymers due to the ionic interaction. Scanning electron microscopy and elemental mapping analysis confirmed the incorporation of selenium nanoparticles into the chitosan-alginate hydrogel. The encapsulation efficiency and drug loading capacity were 93.1±3.6% and 15.05±2.4%, respectively. Approximately 70% of the drug was released from hydrogel after 160 hours in phosphate-buffered saline. The percentage of swelling and porosity of the hydrogel was calculated as 196% and 65%, respectively. DEX@Cs-SeNPs@Cs/Alg Hydrogel showed a hemolysis percentage of 4.6% at a concentration of 2 mg/mL. Based on the results obtained in this study, DEX@Cs-SeNPs@Cs/Alg Hydrogel can be considered promising as a scaffold for brain tissue engineering.https://chemistry.semnan.ac.ir/article_9238_13a857926993a4c3fe4fc607450eb8a6.pdfSemnan University PressApplied Chemistry Today2981-2437207420241221Synthesis and Characterization of New Phosphoramide Compounds and Study of Their Inhibitory Effects Against Corona and Monkeypox Viruses by using Molecular Docking MethodSynthesis and Characterization of New Phosphoramide Compounds and Study of Their Inhibitory Effects Against Corona and Monkeypox Viruses by using Molecular Docking Method2540922410.22075/chem.2024.35322.2308FAZeinabGholamrezaeiaDepartment of Chemistry, Semnan University, Semnan, IranAtekehTarahhomiDepartment of Chemistry, Semnan University, Semnan, IranJournal Article20240914In recent years, two infectious viral diseases, Corona and Monkeypox, and preparation of compounds with suitable biological properties as drugs to inhibit these diseases have attracted attention of the medical community and World Health Organization. Phosphoramide compounds with the main O═P—N skeleton are among chemical compounds that have shown appropriate biological and medicinal properties to treat with various diseases such as cancer, hepatitis and corona. In present work, three new phosphoramide compounds including [OCH2C(CH3)2CH2O]P(═O)[NHC6H4(3-F)] (compound 1), [(4-Cl)C6H4O]P(═O)[3-(NH)C5H4N]2 (compound 2) and <br />[(3-F)C6H4NH]P(═O)[2-(NH)C5H4N]2 (compound 3) were prepared and characterized, and were used as model for molecular docking simulation to predict their potential inhibitory against corona (PDB IDs: 6LU7 and 6M03) and monkeypox (4QWO and 8CER) viruses. Obtained results show that the studied compounds having relatively high binding affinity with protein receptors of coronaviruse (with binding energies of about 7 kcal/mol) can be effective to control coronavirus. In the case of monkeypox, binding energies of ligand-protein complex (about 8 kcal/mol) illustrate negative values showing a stable and favorable binding connection between target protein with ligand. So, the studied compounds 1 – 3 can be suggested as candidates to inhibit corona and monkeypox viruses.In recent years, two infectious viral diseases, Corona and Monkeypox, and preparation of compounds with suitable biological properties as drugs to inhibit these diseases have attracted attention of the medical community and World Health Organization. Phosphoramide compounds with the main O═P—N skeleton are among chemical compounds that have shown appropriate biological and medicinal properties to treat with various diseases such as cancer, hepatitis and corona. In present work, three new phosphoramide compounds including [OCH2C(CH3)2CH2O]P(═O)[NHC6H4(3-F)] (compound 1), [(4-Cl)C6H4O]P(═O)[3-(NH)C5H4N]2 (compound 2) and <br />[(3-F)C6H4NH]P(═O)[2-(NH)C5H4N]2 (compound 3) were prepared and characterized, and were used as model for molecular docking simulation to predict their potential inhibitory against corona (PDB IDs: 6LU7 and 6M03) and monkeypox (4QWO and 8CER) viruses. Obtained results show that the studied compounds having relatively high binding affinity with protein receptors of coronaviruse (with binding energies of about 7 kcal/mol) can be effective to control coronavirus. In the case of monkeypox, binding energies of ligand-protein complex (about 8 kcal/mol) illustrate negative values showing a stable and favorable binding connection between target protein with ligand. So, the studied compounds 1 – 3 can be suggested as candidates to inhibit corona and monkeypox viruses.https://chemistry.semnan.ac.ir/article_9224_f199d0047e18060b58083d93a1b200dc.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Photocatalytic Degradation of Direct Red 23 and Direct Brown 166 Azo Dyes Using Polyoxometalate-Titanium Dioxide NanocompositePhotocatalytic Degradation of Direct Red 23 and Direct Brown 166 Azo Dyes Using Polyoxometalate-Titanium Dioxide Nanocomposite4168939310.22075/chem.2025.35458.2315FASomayehDianatDepartment of Chemistry, Faculty of Sciences, University of Hormozgan, Bandar Abbas 71961, IranNasimSaranjamDepartment of Chemistry, Marvdasht Branch, Islamic Azad University, Marvdasht , IranJournal Article20240928In this study, the polyoxometalate-titanium dioxide nanocomposite (SiW11-TiO2) was synthesized using the hydrothermal method and characterized by FT-IR, XRD, FE-SEM/EDS, BET, and TEM techniques. The performance of this nanocomposite as a nanophotocatalyst was then investigated for the degradation of the dyes DR 23 and DB 166 under various conditions, including irradiation time, photocatalyst dosage, dye solution concentration, and pH, under visible light from a sodium lamp and sunlight. The results demonstrated that this photocatalyst, using only 10 mg at acidic pH and within 30 minutes, could significantly degrade these dyes, with a marked increase in degradation efficiency under sunlight. The kinetic study of the degradation reaction indicated that the process follows pseudo-first-order kinetics. Additionally, experimental results revealed that the SiW11-TiO2 nanocomposite exhibited superior photocatalytic activity compared to SiW11 alone. This nanocomposite not only has the capability to completely degrade azo dyes but also demonstrated stability and reusability up to 12 cycles and effective performance in real sample applications.In this study, the polyoxometalate-titanium dioxide nanocomposite (SiW11-TiO2) was synthesized using the hydrothermal method and characterized by FT-IR, XRD, FE-SEM/EDS, BET, and TEM techniques. The performance of this nanocomposite as a nanophotocatalyst was then investigated for the degradation of the dyes DR 23 and DB 166 under various conditions, including irradiation time, photocatalyst dosage, dye solution concentration, and pH, under visible light from a sodium lamp and sunlight. The results demonstrated that this photocatalyst, using only 10 mg at acidic pH and within 30 minutes, could significantly degrade these dyes, with a marked increase in degradation efficiency under sunlight. The kinetic study of the degradation reaction indicated that the process follows pseudo-first-order kinetics. Additionally, experimental results revealed that the SiW11-TiO2 nanocomposite exhibited superior photocatalytic activity compared to SiW11 alone. This nanocomposite not only has the capability to completely degrade azo dyes but also demonstrated stability and reusability up to 12 cycles and effective performance in real sample applications.https://chemistry.semnan.ac.ir/article_9393_4028a8a1cc52aa31c1fc3e630bb3a84d.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Targeted Synthesis of Adsorptive Nanocomposite Photocatalyst for Conversion of Dangerous H2S Gas to Clean FuelTargeted Synthesis of Adsorptive Nanocomposite Photocatalyst for Conversion of Dangerous H2S Gas to Clean Fuel6986939210.22075/chem.2025.35113.2300FAMajidGhanimatiDepartment of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), Zanjan 45137-66731, IranMohsenLashgariDepartment of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS),
Zanjan 45137-66731, Iran.FabioMontagnaroDepartment of Chemical Sciences, University of Naples “Federico II”, Complesso Universitario
di Monte Sant’Angelo, 80126 Naples, ItalyMarcoBalsamoDepartment of Chemical Sciences, University of Naples Federico II, 80126 Napoli, ItalyMasakiTakeguchiNational Institute for Materials Science, JapanJournal Article20240826Hydrogen sulfide (H2S), a major issue in the sour oil and gas industries, is a highly corrosive and toxic gas produced on a large scale in these industries. Photocatalytic degradation of H2S with the aim of producing fuel is a novel and sustainable approach to solving the problem, supplying clean hydrogen fuel and eliminating this dangerous environmental pollutant. In this photon-based green strategy, the targeted design and easy synthesis of semiconducting energy materials are crucial from an applied standpoint. In this research, without consuming an external reducing agent, the adsorbing rGO/CoMn₂O₄ nanocomposite was synthesized through a one-pot hydrothermal route and employed to effectively produce hydrogen gas via photocatalytic splitting of an alkaline H₂S solution. XRD, FTIR, and Raman analyses showed that graphene oxide (GO) is reduced during the hydrothermal process without the need for a reducing additive. High-resolution transmission electron microscopy (HRTEM) investigations confirmed the attachment of the constituent particles of the composite. Bisulfide sorption studies revealed that the nanocomposite photocatalyst has a high capacity for adsorbing the reactant species (13.97 wt.%). BET, UV-Vis, and PL spectroscopic analyses showed that the presence of rGO in the nanocomposite increases the surface area of the photocatalyst, and by enhancing photon absorption and reducing electron-hole recombination, more hydrogen is generated. The rate of hydrogen release was 5217 (μmol H_2)/(g_cat.h), indicating the good performance of the synthesized nanocomposite photocatalyst for pollutant removal and conversion into clean fuel.Hydrogen sulfide (H2S), a major issue in the sour oil and gas industries, is a highly corrosive and toxic gas produced on a large scale in these industries. Photocatalytic degradation of H2S with the aim of producing fuel is a novel and sustainable approach to solving the problem, supplying clean hydrogen fuel and eliminating this dangerous environmental pollutant. In this photon-based green strategy, the targeted design and easy synthesis of semiconducting energy materials are crucial from an applied standpoint. In this research, without consuming an external reducing agent, the adsorbing rGO/CoMn₂O₄ nanocomposite was synthesized through a one-pot hydrothermal route and employed to effectively produce hydrogen gas via photocatalytic splitting of an alkaline H₂S solution. XRD, FTIR, and Raman analyses showed that graphene oxide (GO) is reduced during the hydrothermal process without the need for a reducing additive. High-resolution transmission electron microscopy (HRTEM) investigations confirmed the attachment of the constituent particles of the composite. Bisulfide sorption studies revealed that the nanocomposite photocatalyst has a high capacity for adsorbing the reactant species (13.97 wt.%). BET, UV-Vis, and PL spectroscopic analyses showed that the presence of rGO in the nanocomposite increases the surface area of the photocatalyst, and by enhancing photon absorption and reducing electron-hole recombination, more hydrogen is generated. The rate of hydrogen release was 5217 (μmol H_2)/(g_cat.h), indicating the good performance of the synthesized nanocomposite photocatalyst for pollutant removal and conversion into clean fuel.https://chemistry.semnan.ac.ir/article_9392_cd5305f6f264e93a36c69c5686dd5b36.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Synthesis and Characterization of Bi- and Tri-Functional Cycloaliphatic Epoxy Resins by Introducing the Applied Epoxidation MethodSynthesis and Characterization of Bi- and Tri-Functional Cycloaliphatic Epoxy Resins by Introducing the Applied Epoxidation Method87112945810.22075/chem.2025.34885.2295FAMahsaGhasriDepartment of Polymer Engineering, Faculty of Materials and Manufacturing Technologies, Malek-Ashtar University of Technology, Tehran, IranMehrzadMortezaeiDepartment of Polymer Engineering, Faculty of Materials and Manufacturing Technologies, Malek-Ashtar University of Technology, Tehran, IranHassanFattahiDepartment of Polymer Engineering, Faculty of Materials and Manufacturing Technologies, Malek-Ashtar University of Technology, Tehran, IranMaryamTavakolizadehDepartment of Chemistry, Sharif University of Technology, Tehran, IranJournal Article20240729Cycloaliphatic epoxy resins, due to the presence of saturated six-carbon rings with a flexible space shape in the main structure, have the ability to be used in the manufacture of high-performance composite parts and have received the attention of composite industries. Researchers have succeeded in synthesizing this resin in various ways and have achieved acceptable chemical, physical, mechanical, thermal and electrical properties, but they have always faced problems in the synthesis method, production process and raw materials, and this limits the use of the above resins. With the aim of improving the synthesis methods and using commercial monomers, this research tries to take a step towards the application of cycloaliphatic epoxy resins. For this purpose, the synthesis and characterize tri-functional cycloaliphatic epoxy resin of diglycidyl-4,5-epoxy-cyclohexane-1,2-dicarboxylate (ECDAD) using raw material of tetrahydrophthalic anhydride was performed by four different methods and the optimal route was presented. For the synthesis of cycloaliphatic epoxy resin, the processes of epoxidation of carboxylic acid with epichlorohydrin, allylation of carboxylic acid with allyl bromide, direct epoxidation of double bond of branches and double bond of cycloalkene with compounds of 3-chloroperoxybenzoic acid (m-CPBA) and trichloroisocyanuric acid (TCCA) were used and different methods were compared. Generally, the epoxidation of alkenes has challenges such as low purity, long reaction time, high cost, and difficult separation, therefore, in this article, a suitable and practical method for the epoxidation of alkenes using TCCA was presented. In this research, two epoxy resins (bi-functional and tri-functional) were synthesized and their synthesis steps were investigated and confirmed by FT-IR, 1H-NMR, 13C-NMR analysis and the measurement of the epoxy equivalent weight (EEW). The EEW of the synthesized resins of bi- and tri-functional was 152 and 108 (g/eq), respectively, and their curing process was evaluated and confirmed using DSC analysis.Cycloaliphatic epoxy resins, due to the presence of saturated six-carbon rings with a flexible space shape in the main structure, have the ability to be used in the manufacture of high-performance composite parts and have received the attention of composite industries. Researchers have succeeded in synthesizing this resin in various ways and have achieved acceptable chemical, physical, mechanical, thermal and electrical properties, but they have always faced problems in the synthesis method, production process and raw materials, and this limits the use of the above resins. With the aim of improving the synthesis methods and using commercial monomers, this research tries to take a step towards the application of cycloaliphatic epoxy resins. For this purpose, the synthesis and characterize tri-functional cycloaliphatic epoxy resin of diglycidyl-4,5-epoxy-cyclohexane-1,2-dicarboxylate (ECDAD) using raw material of tetrahydrophthalic anhydride was performed by four different methods and the optimal route was presented. For the synthesis of cycloaliphatic epoxy resin, the processes of epoxidation of carboxylic acid with epichlorohydrin, allylation of carboxylic acid with allyl bromide, direct epoxidation of double bond of branches and double bond of cycloalkene with compounds of 3-chloroperoxybenzoic acid (m-CPBA) and trichloroisocyanuric acid (TCCA) were used and different methods were compared. Generally, the epoxidation of alkenes has challenges such as low purity, long reaction time, high cost, and difficult separation, therefore, in this article, a suitable and practical method for the epoxidation of alkenes using TCCA was presented. In this research, two epoxy resins (bi-functional and tri-functional) were synthesized and their synthesis steps were investigated and confirmed by FT-IR, 1H-NMR, 13C-NMR analysis and the measurement of the epoxy equivalent weight (EEW). The EEW of the synthesized resins of bi- and tri-functional was 152 and 108 (g/eq), respectively, and their curing process was evaluated and confirmed using DSC analysis.https://chemistry.semnan.ac.ir/article_9458_1798a644259630292e6c5bf5b74f1c99.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Covalent Functionalization of Cellulose Filter Paper with Activated Carbon and Its Application in Removing Heavy Metals (Pb, Cd, Ni) from Drinking WaterCovalent Functionalization of Cellulose Filter Paper with Activated Carbon and Its Application in Removing Heavy Metals (Pb, Cd, Ni) from Drinking Water113138945910.22075/chem.2025.34193.2273FAMiladKazemnejadiChemistry Department, Faculty of Sciences, Golestan University, Gorgan, IranJournal Article20240521The removal of heavy metals such as nickel, lead, and cadmium is crucial due to their harmful effects on ecosystems. These toxic metals can disrupt physiological processes in plants, affecting transpiration, photosynthesis, enzyme activity, and hormonal balance. Nanofiltration membranes with pore sizes of 1–10 nm selectively remove heavy metal ions while preserving essential minerals and nutrients. In this research, covalently functionalized cellulose filter paper with activated carbon (FP@Si@AC) was used to effectively remove heavy metals (Pb, Cd, Ni) from drinking water. The adsorption was carried out under mild conditions, at ambient temperature, and at neutral pH for 3-5 hours. Under these conditions, the highest adsorption rate was related to Pb, and Cd and Ni were the next highest adsorption percentages. Studies on the adsorption isotherms showed that the adsorption of Pb best fits the Langmuir isotherm, and the nickel and cadmium metals follow both Freundlich and Langmuir isotherms. Examining the adsorption mechanism showed that the adsorption takes place both through coordination with the groups on activated carbon and through physical adsorption. FP@Si@AC filter paper can be recovered and reused several times without any significant loss of adsorption activity.The removal of heavy metals such as nickel, lead, and cadmium is crucial due to their harmful effects on ecosystems. These toxic metals can disrupt physiological processes in plants, affecting transpiration, photosynthesis, enzyme activity, and hormonal balance. Nanofiltration membranes with pore sizes of 1–10 nm selectively remove heavy metal ions while preserving essential minerals and nutrients. In this research, covalently functionalized cellulose filter paper with activated carbon (FP@Si@AC) was used to effectively remove heavy metals (Pb, Cd, Ni) from drinking water. The adsorption was carried out under mild conditions, at ambient temperature, and at neutral pH for 3-5 hours. Under these conditions, the highest adsorption rate was related to Pb, and Cd and Ni were the next highest adsorption percentages. Studies on the adsorption isotherms showed that the adsorption of Pb best fits the Langmuir isotherm, and the nickel and cadmium metals follow both Freundlich and Langmuir isotherms. Examining the adsorption mechanism showed that the adsorption takes place both through coordination with the groups on activated carbon and through physical adsorption. FP@Si@AC filter paper can be recovered and reused several times without any significant loss of adsorption activity.https://chemistry.semnan.ac.ir/article_9459_f1b078c40aa287d91c8e3b52cf4034ee.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Development and Step-by-Step Optimization of the HPLC Method with Dilute-and-Shoot Sample Preparation Technique for Determination of Benidipine Hydrochloride in Pharmaceutical and Biological SamplesDevelopment and Step-by-Step Optimization of the HPLC Method with Dilute-and-Shoot Sample Preparation Technique for Determination of Benidipine Hydrochloride in Pharmaceutical and Biological Samples139160947910.22075/chem.2025.35383.2311FAFaribaMollarasouliFaculty of Basic Sciences, Department of Chemistry, Yasuj University, Yasuj, IranJournal Article20241012This research employed a method using high-performance liquid chromatography with a visible-ultraviolet detector (HPLC-UV-Vis) to measure Benidipine Hydrochloride in pharmaceutical, human urine, and serum samples. The proposed method was validated based on the guidelines of the International Conference on Harmonisation (ICH) after optimizing various chromatography conditions and other experimental parameters.<br />Optimal results were obtained using an ACE 5µm C18 column (150 mm × 6.4 mm; 0.5µm) at 45 °C. The mobile phase consisted of acetonitrile: buffer (40 mM ammonium acetate) in a ratio of 75:25 v/v% adjusted to a pH of 6.75 at a flow rate of 0.1 mL/min. A wavelength of 238 nm was selected. The method was fully validated, and the validation parameters included a linear range of 0.15-25.00 mg/L and a correlation coefficient of 0.999 for all samples. The detection limits of Benidipine Hydrochloride were found to be 0.46, 1.20, and 8.30 µg/L in acetonitrile, serum, and human urine, respectively. The quantification limits in acetonitrile, serum, and human urine were 1.50, 3.80, and 27.00 µg/L, respectively. The precision, between-day and within-day, represented by the relative standard deviation (%RSD), was found to be 0.13% and 0.27% respectively in the buffer/acetonitrile solution. The average relative recovery values ranged between 97.00% and 105.00%. Thus, the proposed method is rapid and precise, and it can be successfully employed in pharmacokinetic studies and routine clinical performance.This research employed a method using high-performance liquid chromatography with a visible-ultraviolet detector (HPLC-UV-Vis) to measure Benidipine Hydrochloride in pharmaceutical, human urine, and serum samples. The proposed method was validated based on the guidelines of the International Conference on Harmonisation (ICH) after optimizing various chromatography conditions and other experimental parameters.<br />Optimal results were obtained using an ACE 5µm C18 column (150 mm × 6.4 mm; 0.5µm) at 45 °C. The mobile phase consisted of acetonitrile: buffer (40 mM ammonium acetate) in a ratio of 75:25 v/v% adjusted to a pH of 6.75 at a flow rate of 0.1 mL/min. A wavelength of 238 nm was selected. The method was fully validated, and the validation parameters included a linear range of 0.15-25.00 mg/L and a correlation coefficient of 0.999 for all samples. The detection limits of Benidipine Hydrochloride were found to be 0.46, 1.20, and 8.30 µg/L in acetonitrile, serum, and human urine, respectively. The quantification limits in acetonitrile, serum, and human urine were 1.50, 3.80, and 27.00 µg/L, respectively. The precision, between-day and within-day, represented by the relative standard deviation (%RSD), was found to be 0.13% and 0.27% respectively in the buffer/acetonitrile solution. The average relative recovery values ranged between 97.00% and 105.00%. Thus, the proposed method is rapid and precise, and it can be successfully employed in pharmacokinetic studies and routine clinical performance.https://chemistry.semnan.ac.ir/article_9479_2508eb82c3e3ae5530877a5582077d9c.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Investigating the corrosion resistance of coated steel with Ni-W-P nanocomposites prepared by electroless methodInvestigating the corrosion resistance of coated steel with Ni-W-P nanocomposites prepared by electroless method161174959010.22075/chem.2025.36116.2324FASimaRashidDepartment of Chemistry, Semnan University, Semnan, IranAliArabDepartment of Chemistry, Semnan University, Semnan, IranSoheilaFarajiDepartment of Chemistry, Semnan University, Semnan, IranJournal Article20241202In the present study, Ni-W-P nanocomposite coatings were prepared by electroless method. The surface morphology and composition of the coatings were analyzed by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX) while the crystal structure of the coatings was analyzed by X-ray diffraction (XRD). The corrosion of these coatings in 3.5% sodium chloride solution was investigated by Tafel polarization and electrochemical impedance spectroscopy methods, and the corrosion parameters including corrosion potential, corrosion current density, and corrosion resistance were obtained. Also, the parameters affecting the properties of these coatings such as pH, temperature, and the amount of sodium tungstate in the electroless bath were investigated. Accordingly, the optimal value of the parameters was determined as pH=8, temperature 95 oC, and sodium tungstate content of 16 g/l. Corrosion analyses showed that the presence of tungsten in the Ni-P composite coating greatly improves the corrosion properties and increases corrosion resistance. The highest inhibition efficiency for Ni-P and Ni-W-P coatings using the Tafel polarization method was obtained 37.4% and 80.6%, respectively.In the present study, Ni-W-P nanocomposite coatings were prepared by electroless method. The surface morphology and composition of the coatings were analyzed by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX) while the crystal structure of the coatings was analyzed by X-ray diffraction (XRD). The corrosion of these coatings in 3.5% sodium chloride solution was investigated by Tafel polarization and electrochemical impedance spectroscopy methods, and the corrosion parameters including corrosion potential, corrosion current density, and corrosion resistance were obtained. Also, the parameters affecting the properties of these coatings such as pH, temperature, and the amount of sodium tungstate in the electroless bath were investigated. Accordingly, the optimal value of the parameters was determined as pH=8, temperature 95 oC, and sodium tungstate content of 16 g/l. Corrosion analyses showed that the presence of tungsten in the Ni-P composite coating greatly improves the corrosion properties and increases corrosion resistance. The highest inhibition efficiency for Ni-P and Ni-W-P coatings using the Tafel polarization method was obtained 37.4% and 80.6%, respectively.https://chemistry.semnan.ac.ir/article_9590_9b9119a3841c2b062a86159ea047854d.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Combination of Hollow Gold Nanoparticles and Aptamer for Accurate and Non-invasive Measurement of CarbamazepineCombination of Hollow Gold Nanoparticles and Aptamer for Accurate and Non-invasive Measurement of Carbamazepine175194959210.22075/chem.2025.36384.2330FAFaezeShahdoostfardDepartment of Chemistry Education, Farhangiyan University, P.O. Box 14665-889, Tehran, IranMalihehArhamiDepartment of Chemistry, Semnan University, Semnan, IranAlirezaAsghariDepartment of Chemistry, Semnan University, Semnan, IranMaryamRajabiDepartment of Chemistry, Semnan University, Semnan, IranJournal Article20250125In this study, a highly sensitive and accurate aptasensor for carbamazepine detection is proposed based on the combination of hollow gold nanospheres with aptamers. Hollow gold nanospheres with unique advantages are immobilized on the surface of a glassy carbon electrode, and then the aptamer sequence is attached with high density on the surface of the hollow gold nanospheres. By adding carbamazepine to the embedded sensing surface and forming a carbamazepine/aptamer complex, the steric hindrance of the surface is increased and the electron transfer of the electrochemical probe (ferro/ferricyanid) on the surface is limited. Thus, carbamazepine is measured in the range of 1 femtomolar to 900 nanomolar with a detection limit of 3.3333 attomolar. The lack of response in the presence of other species with similar structures or properties, as well as the results of the satisfactory analysis of human biological fluid samples, indicates the very high selectivity of the aptasensor. The proposed strategy for the non-invasive measurement of carbamazepine was found to be in accordance with the principles of green chemistry in terms of two international indicators.In this study, a highly sensitive and accurate aptasensor for carbamazepine detection is proposed based on the combination of hollow gold nanospheres with aptamers. Hollow gold nanospheres with unique advantages are immobilized on the surface of a glassy carbon electrode, and then the aptamer sequence is attached with high density on the surface of the hollow gold nanospheres. By adding carbamazepine to the embedded sensing surface and forming a carbamazepine/aptamer complex, the steric hindrance of the surface is increased and the electron transfer of the electrochemical probe (ferro/ferricyanid) on the surface is limited. Thus, carbamazepine is measured in the range of 1 femtomolar to 900 nanomolar with a detection limit of 3.3333 attomolar. The lack of response in the presence of other species with similar structures or properties, as well as the results of the satisfactory analysis of human biological fluid samples, indicates the very high selectivity of the aptasensor. The proposed strategy for the non-invasive measurement of carbamazepine was found to be in accordance with the principles of green chemistry in terms of two international indicators.https://chemistry.semnan.ac.ir/article_9592_c61f95d06982f4ac752b93b29f22053a.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Synthesis and characterization of mono substituted polyoxometalate incorporation into amorph silica and catalytic activity of these compounds in selective oxidation of aromatic amines with hydrogen peroxideSynthesis and characterization of mono substituted polyoxometalate incorporation into amorph silica and catalytic activity of these compounds in selective oxidation of aromatic amines with hydrogen peroxide195216973210.22075/chem.2025.36836.2342FAMostafaRiahi FarsaniDepartement of Chemistry, Faculty of Science, Shahrekord University, Shahrekord, IranBahramYadollahiDepartment of Chemistry, University of Isfahan. Isfahan 81746-73441, IranSetarehAbolghasemi DehnaviDepartement of Chemistry, Faculty of Science, Shahrekord University, Shahrekord, IranJournal Article20250225In this study, the selective oxidation of aromatic amines using hydrogen peroxide as an green oxidant and a polyoxometalate catalyst modified with first-row transition metals in a silica matrix was performed. Initially Mono substituted Keggin type Polyoxometalates with first row transition metals (TBA)X[PW11MO39].nH2O (M= Cr, Mn, Fe, Co, Ni, Cu, Zn) were synthesised and then incorporated into a silica matrix by using sol-gel method. The synthesized compounds were characterized using techniques such as EDAX, CHNS, XRD, SEM, and TG-DTG. For selecting the best catalyst, oxidation of aniline was performed with all catalysts and polyoxometalate substituted with Fe showed best catalytic activity. After optimization reaction conditions, oxidation of different aromatic amine was performed and Fe substituted polyoxometalates showed excellent catalytic activity for selective oxidation of different amines to corresponded nitro in heterogeneous system. The studies indicated that the catalysts have good recovery capabilities and can be reused multiple times without significant loss in activity.In this study, the selective oxidation of aromatic amines using hydrogen peroxide as an green oxidant and a polyoxometalate catalyst modified with first-row transition metals in a silica matrix was performed. Initially Mono substituted Keggin type Polyoxometalates with first row transition metals (TBA)X[PW11MO39].nH2O (M= Cr, Mn, Fe, Co, Ni, Cu, Zn) were synthesised and then incorporated into a silica matrix by using sol-gel method. The synthesized compounds were characterized using techniques such as EDAX, CHNS, XRD, SEM, and TG-DTG. For selecting the best catalyst, oxidation of aniline was performed with all catalysts and polyoxometalate substituted with Fe showed best catalytic activity. After optimization reaction conditions, oxidation of different aromatic amine was performed and Fe substituted polyoxometalates showed excellent catalytic activity for selective oxidation of different amines to corresponded nitro in heterogeneous system. The studies indicated that the catalysts have good recovery capabilities and can be reused multiple times without significant loss in activity.https://chemistry.semnan.ac.ir/article_9732_c8a10f2017cab5c120ae5329213aefbe.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Investigation of the effect of metal-organic framework containing additional carboxyl group on CO2 separation in PEBAX-based membraneInvestigation of the effect of metal-organic framework containing additional carboxyl group on CO2 separation in PEBAX-based membrane217234978110.22075/chem.2025.36657.2335FAElaheAhmadi FeijaniDepartment of Applied Chemistry, Faculty of Chemistry and Petroleum Sciences, Bu–Ali Sina University, Hamedan 6517838695, IranJournal Article20250121Membrane-based processes have attracted significant attention as economical methods for separation. In this study, mixed matrix membranes were fabricated by incorporating <br />UiO-66-(COOH)2 into a poly(ether-block-amide) matrix at various loading percentages using the solution casting and solvent evaporation method. FT-IR, XRD, TGA, DSC, and FESEM analyses were employed to evaluate the properties of the mixed matrix membrane. Pure CO2 and N2 gas permeability through the membranes was measured at 25°C and 2 bar. Results showed that incorporating 15 wt% of UiO-66-(COOH)2 into the poly(ether-block-amide) matrix led to a 135% and 127% increase in CO2 permeability and CO2/N2 selectivity, respectively, compared to the pure membrane. The effect of increasing temperature and pressure on the gas transport behaviour of this membrane was also investigated. Increasing temperature resulted in an increase in CO2 permeability and a decrease in CO2/N2 selectivity, while increasing pressure led to an increase in both. At 6 bar and 25°C, a 174% and 145% increase in CO2 permeability and CO2/N2 selectivity, respectively, was registered compared to the pure membrane.Membrane-based processes have attracted significant attention as economical methods for separation. In this study, mixed matrix membranes were fabricated by incorporating <br />UiO-66-(COOH)2 into a poly(ether-block-amide) matrix at various loading percentages using the solution casting and solvent evaporation method. FT-IR, XRD, TGA, DSC, and FESEM analyses were employed to evaluate the properties of the mixed matrix membrane. Pure CO2 and N2 gas permeability through the membranes was measured at 25°C and 2 bar. Results showed that incorporating 15 wt% of UiO-66-(COOH)2 into the poly(ether-block-amide) matrix led to a 135% and 127% increase in CO2 permeability and CO2/N2 selectivity, respectively, compared to the pure membrane. The effect of increasing temperature and pressure on the gas transport behaviour of this membrane was also investigated. Increasing temperature resulted in an increase in CO2 permeability and a decrease in CO2/N2 selectivity, while increasing pressure led to an increase in both. At 6 bar and 25°C, a 174% and 145% increase in CO2 permeability and CO2/N2 selectivity, respectively, was registered compared to the pure membrane.https://chemistry.semnan.ac.ir/article_9781_b81acb4dd157b721c662ce96decf0c4f.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Proposing a comprehensive thermodynamic model for the prediction of drugs solubilities in water using Deep Eutectic Solvents as co-solventsProposing a comprehensive thermodynamic model for the prediction of drugs solubilities in water using Deep Eutectic Solvents as co-solvents235264978210.22075/chem.2025.36862.2344FAMaedeh SadatKhayam NekoueiDepartment of Chemical Engineering, Faculty of Engineering, University of Isfahan, Isfahan, Iran.AtefeRajabiDepartment of Chemical Engineering, Faculty of Engineering, University of Isfahan, Isfahan, Iran.RezaHaghbakhshDepartment of Chemical Engineering, Faculty of Engineering, University of Isfahan, Isfahan, Iran.Journal Article20250210Given the common challenge of low solubility of many drugs in water, it is vital to implement novel methods to improve it. One method that is widely used across various applications is the use of co-solvents. In particular, Deep Eutectic Solvents have been recognized for their potential in the pharmaceutical industries. This potential is due to their environmental compatibility, cost-effectiveness, and desirable properties. Due to the large number and variety of deep eutectic solvents, it is not possible to perform experimental studies to determine the effect of Deep Eutectic Solvents on the solubility of drugs in water. Thus, it is vital to have thermodynamic models, to help researchers to estimate how the co-solvents enhance the solubility of drugs. This research investigates the performance of five relevant thermodynamic models. The investigated models are all empirical and require regression on the experimental data of each system to be used, which makes them non-predictive. Therefore, to overcome this issue, for the first time, the Khayam-Rajabi-Haghbakhsh model (KRH) has been developed as the first comprehensive and accurate predictive model for estimating the solubility of various drugs in water considering Deep Eutectic Solvents as co-solvents. For the development of this model, a comprehensive data bank including 1489 experimental data points for 13 different drugs and 17 Deep Eutectic Solvents has been used. The AARD% of this model has been calculated to be 13.00, indicating a high level of accuracy. Statistical analysis demonstrates acceptable and unbiased performance across all Deep Eutectic Solvents and drugs investigated. This model is widely utilized for various drug systems, water, and Deep Eutectic Solvents as co-solvents due to its comprehensiveness, accuracy, and capability to estimate drug solubility without needing experimental data.Given the common challenge of low solubility of many drugs in water, it is vital to implement novel methods to improve it. One method that is widely used across various applications is the use of co-solvents. In particular, Deep Eutectic Solvents have been recognized for their potential in the pharmaceutical industries. This potential is due to their environmental compatibility, cost-effectiveness, and desirable properties. Due to the large number and variety of deep eutectic solvents, it is not possible to perform experimental studies to determine the effect of Deep Eutectic Solvents on the solubility of drugs in water. Thus, it is vital to have thermodynamic models, to help researchers to estimate how the co-solvents enhance the solubility of drugs. This research investigates the performance of five relevant thermodynamic models. The investigated models are all empirical and require regression on the experimental data of each system to be used, which makes them non-predictive. Therefore, to overcome this issue, for the first time, the Khayam-Rajabi-Haghbakhsh model (KRH) has been developed as the first comprehensive and accurate predictive model for estimating the solubility of various drugs in water considering Deep Eutectic Solvents as co-solvents. For the development of this model, a comprehensive data bank including 1489 experimental data points for 13 different drugs and 17 Deep Eutectic Solvents has been used. The AARD% of this model has been calculated to be 13.00, indicating a high level of accuracy. Statistical analysis demonstrates acceptable and unbiased performance across all Deep Eutectic Solvents and drugs investigated. This model is widely utilized for various drug systems, water, and Deep Eutectic Solvents as co-solvents due to its comprehensiveness, accuracy, and capability to estimate drug solubility without needing experimental data.https://chemistry.semnan.ac.ir/article_9782_d44b670ed94d0217e27a19443bcfbd2e.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Synthesis and combination of SrFe2O4 nano-spinel on CuO for photocatalytic removal: a kinetic studySynthesis and combination of SrFe2O4 nano-spinel on CuO for photocatalytic removal: a kinetic study265280973310.22075/chem.2025.35373.2310FALeilaFatolahiDepartment of Chemistry, Payame Noor University, 19395-4697, Tehran, IranJournal Article20241208.Nano photocatalyst based on SrFe2O4-CuO composite was synthesized by easy chemical method. The scanning electron microscope image shows the bonding of SrFe2O4 and CuO. Ultraviolet-visible spectroscopy has calculated the energy gap of SrFe2O4-CuO nanocomposite and it is lower than CuO. EDS spectroscopy was performed to confirm the presence of strontium, iron, copper and oxygen elements. The crystal size of CuO nanoparticles and SrFe2O4-CuO nanocomposite is 29.12 and 39.81 nm, respectively. The surface area for samples of CuO nanoparticles and SrFe2O4-CuO nanocomposite is equal to 15.12 mg2/g and 45.23 mg2/g. After the successful synthesis of SrFe2O4-CuO nanocomposite, it was used in the photocatalytic removal of Eriochrome Black T pollutant under ultraviolet light irradiation. The removal ability of SrFe2O4-CuO was higher than CuO nanoparticles. SrFe2O4-CuO nanocomposite showed excellent stability and reusability. The identified nanoparticles are very active under UV light irradiation, and hydroxyl radicals and super dioxide showed a major contribution to dye removal..Nano photocatalyst based on SrFe2O4-CuO composite was synthesized by easy chemical method. The scanning electron microscope image shows the bonding of SrFe2O4 and CuO. Ultraviolet-visible spectroscopy has calculated the energy gap of SrFe2O4-CuO nanocomposite and it is lower than CuO. EDS spectroscopy was performed to confirm the presence of strontium, iron, copper and oxygen elements. The crystal size of CuO nanoparticles and SrFe2O4-CuO nanocomposite is 29.12 and 39.81 nm, respectively. The surface area for samples of CuO nanoparticles and SrFe2O4-CuO nanocomposite is equal to 15.12 mg2/g and 45.23 mg2/g. After the successful synthesis of SrFe2O4-CuO nanocomposite, it was used in the photocatalytic removal of Eriochrome Black T pollutant under ultraviolet light irradiation. The removal ability of SrFe2O4-CuO was higher than CuO nanoparticles. SrFe2O4-CuO nanocomposite showed excellent stability and reusability. The identified nanoparticles are very active under UV light irradiation, and hydroxyl radicals and super dioxide showed a major contribution to dye removal.https://chemistry.semnan.ac.ir/article_9733_ecca09fe07c2b210db52c615004cf334.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Comparative Evaluation of the Extractive Desulfurization of Liquid Fuel Using Deep Eutectic Solvents Containing Triethanolamine with Dual Role Hydrogen Bond Donor-Hydrogen Bond AcceptorComparative Evaluation of the Extractive Desulfurization of Liquid Fuel Using Deep Eutectic Solvents Containing Triethanolamine with Dual Role Hydrogen Bond Donor-Hydrogen Bond Acceptor281296978310.22075/chem.2025.36942.2346FAFarinazKhaleghiDepartment of Chemistry, Faculty of Sciences, University of Zanjan, Zanjan, IranMahboobeBehrooziDepartment of Chemistry, Faculty of Sciences, University of Zanjan, Zanjan, IranJournal Article20250219Sulfur in fuel is one of the main sources of pollutants that cause environmental problems. In addition, the presence of sulfur impurities leads to corrosion problems in refinery units and deactivation of the catalyst used in refineries; therefore, desulfurization of fuel is very necessary. The use of green technologies to solve this problem is of interest to many researchers. Deep eutectic solvents (DES) are considered as solvents similar to ionic liquids and have attracted increasing attention in separation and extraction processes due to their features such as environmental compatibility and very low price. In this study, a deep eutectic solvent (DES) was prepared by mixing triethanolamine (TEOA) as the hydrogen bond donor (HBD) and choline chloride (ChCl) as the hydrogen bond acceptor (HBA). This DES was then used in extractive desulfurization to remove thiophene (Th). The results were compared with those obtained when TEOA acted as the HBA in the DES and the efficiency of TEOA in both HBD and HBA roles in desulfurization was evaluated. Response surface methodology (RSM) was used to model and optimize the extraction process. Three operating parameters affecting desulfurization, the DES component ratio (HBA: HBD), the initial sulfur content, and the mass ratio of DES to model fuel (DES:MF), were selected. Under optimal operating conditions for both DES, the maximum extraction efficiency in one stage was 70.3 and 71.8%, respectively.Sulfur in fuel is one of the main sources of pollutants that cause environmental problems. In addition, the presence of sulfur impurities leads to corrosion problems in refinery units and deactivation of the catalyst used in refineries; therefore, desulfurization of fuel is very necessary. The use of green technologies to solve this problem is of interest to many researchers. Deep eutectic solvents (DES) are considered as solvents similar to ionic liquids and have attracted increasing attention in separation and extraction processes due to their features such as environmental compatibility and very low price. In this study, a deep eutectic solvent (DES) was prepared by mixing triethanolamine (TEOA) as the hydrogen bond donor (HBD) and choline chloride (ChCl) as the hydrogen bond acceptor (HBA). This DES was then used in extractive desulfurization to remove thiophene (Th). The results were compared with those obtained when TEOA acted as the HBA in the DES and the efficiency of TEOA in both HBD and HBA roles in desulfurization was evaluated. Response surface methodology (RSM) was used to model and optimize the extraction process. Three operating parameters affecting desulfurization, the DES component ratio (HBA: HBD), the initial sulfur content, and the mass ratio of DES to model fuel (DES:MF), were selected. Under optimal operating conditions for both DES, the maximum extraction efficiency in one stage was 70.3 and 71.8%, respectively.https://chemistry.semnan.ac.ir/article_9783_4c7080ba042d3e2ed9f73903e5fde803.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Fast and Sensitive Fluorimetric Detection of Formaldehyde in Detergent Samples using S, N Doped Graphene Quantum DotsFast and Sensitive Fluorimetric Detection of Formaldehyde in Detergent Samples using S, N Doped Graphene Quantum Dots297312974710.22075/chem.2025.36792.2349FARahimMohammad-RezaeiAnalytical Chemistry Research Laboratory, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz, IranMasoumehAli-KaramiAnalytical Chemistry Research Laboratory, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz, IranMahdiGolmohammadpourAnalytical Chemistry Research Laboratory, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz, IranZahraEmamiAnalytical Chemistry Research Laboratory, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz, IranHassanHeidariAnalytical Chemistry Research Laboratory, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz, IranJournal Article20250225In this paper, a sensitive fluorescence sensor based on nitrogen and sulfur-doped graphene quantum dots (S, N-GQDs) for the formaldehyde detection in detergent samples was reported. The synthesized S, N-GQDs was carefully characterized using transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR) and fluorescence spectroscopy techniques in details. Under the optimized conditions, a linear range of 0.5-1200 μg mL-1 and a detection limit of 0.3 μg mL-1 were achieved for the formaldehyde detection using the developed fluorimetry method (excitation and emission wavelength were 360 and 440 nm respectively). Important parameters which could be affect the fluorescence quenching such as interaction time between the S, N-GQDs and formaldehyde as well as pH were optimized. According to experimental studies, the decrease of absorption in the presence of formaldehyde is the main reason for the fluorescence quenching of S, N-GQDs. According to experimental results, the developed method represented suitable accuracy and precision for the formaldehyde measurement. This method was successfully applied for the measurement of formaldehyde in detergent samples with acceptable selectivity and sensitivity.In this paper, a sensitive fluorescence sensor based on nitrogen and sulfur-doped graphene quantum dots (S, N-GQDs) for the formaldehyde detection in detergent samples was reported. The synthesized S, N-GQDs was carefully characterized using transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR) and fluorescence spectroscopy techniques in details. Under the optimized conditions, a linear range of 0.5-1200 μg mL-1 and a detection limit of 0.3 μg mL-1 were achieved for the formaldehyde detection using the developed fluorimetry method (excitation and emission wavelength were 360 and 440 nm respectively). Important parameters which could be affect the fluorescence quenching such as interaction time between the S, N-GQDs and formaldehyde as well as pH were optimized. According to experimental studies, the decrease of absorption in the presence of formaldehyde is the main reason for the fluorescence quenching of S, N-GQDs. According to experimental results, the developed method represented suitable accuracy and precision for the formaldehyde measurement. This method was successfully applied for the measurement of formaldehyde in detergent samples with acceptable selectivity and sensitivity.https://chemistry.semnan.ac.ir/article_9747_821685f0230c6f09d6c04b1da6e992f7.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Fabrication of a novel molecularly imprinted polymer magnetic adsorbent and investigation of its performance for removing copper ions from waterFabrication of a novel molecularly imprinted polymer magnetic adsorbent and investigation of its performance for removing copper ions from water313338978010.22075/chem.2025.34840.2293FAMohsenEsmaeilpourChemistry and Process Research Department, Niroo Research Institute, Tehran, IranMortezaFaghihiChemistry and Process Research Department, Niroo Research Institute, Tehran, IranJournal Article20240724The construction and investigation of the properties of the molecular imprinting polymer (MIP) adsorbent to remove the copper ion pollutant from the aqueous environment was carried out in this research. In the first stage, iron/silica core-shell nanoparticles were made by co-precipitation method, and then functionalization and in-situ polymerization were done with monomer and target ion (copper), and finally, by washing the copper ion, the molecular imprinting polymer adsorbent was obtained. FTIR, XRD, TEM, FESEM, EDX, BET and VSM tests were performed to determine the absorbent properties. The results showed that the formation of the core-shell structure for iron/silica nanoparticles was successfully established and then the spherical structure of the polymer absorbent with an average particle size of about 30-40 nm was well formed. The results of the absorption tests for copper ion showed that the optimum amount of adsorbent dose is about 18 mg and the best amount of absorption occurs at a pH of about 7. High adsorption capacity, good selectivity and reusability for molecular role polymer adsorbent were observed in adsorption tests. The results of the adsorption-desorption tests showed that after 6 reuses of the adsorbent, a slight decrease (about 8%) in the adsorption removal occurred. To verify the adsorption performance, the synthesized adsorbent was placed in contact with a power plant water sample and showed an adsorption rate of 88% for copper ions.The construction and investigation of the properties of the molecular imprinting polymer (MIP) adsorbent to remove the copper ion pollutant from the aqueous environment was carried out in this research. In the first stage, iron/silica core-shell nanoparticles were made by co-precipitation method, and then functionalization and in-situ polymerization were done with monomer and target ion (copper), and finally, by washing the copper ion, the molecular imprinting polymer adsorbent was obtained. FTIR, XRD, TEM, FESEM, EDX, BET and VSM tests were performed to determine the absorbent properties. The results showed that the formation of the core-shell structure for iron/silica nanoparticles was successfully established and then the spherical structure of the polymer absorbent with an average particle size of about 30-40 nm was well formed. The results of the absorption tests for copper ion showed that the optimum amount of adsorbent dose is about 18 mg and the best amount of absorption occurs at a pH of about 7. High adsorption capacity, good selectivity and reusability for molecular role polymer adsorbent were observed in adsorption tests. The results of the adsorption-desorption tests showed that after 6 reuses of the adsorbent, a slight decrease (about 8%) in the adsorption removal occurred. To verify the adsorption performance, the synthesized adsorbent was placed in contact with a power plant water sample and showed an adsorption rate of 88% for copper ions.https://chemistry.semnan.ac.ir/article_9780_d30526a0d9142e4cb19aa038845adaf4.pdfSemnan University PressApplied Chemistry Today2981-2437207420250321Comparison of Box–Behnken, Central Composite, and D-Optimal Designs for Optimization of Phthalocyanine Dye Removal Using Magnetic Nanoparticles Iron Oxide Modified by Polyaspartic AcidComparison of Box–Behnken, Central Composite, and D-Optimal Designs for Optimization of Phthalocyanine Dye Removal Using Magnetic Nanoparticles Iron Oxide Modified by Polyaspartic Acid339356979710.22075/chem.2025.36376.2329FAJavadZolgharneinDepartment of Chemistry, Faculty of Science, Arak University, Arak, Islamic Republic of IranShahabFeshkiDepartment of Chemistry, Faculty of Science, Arak University, Arak, Islamic Republic of IranSaeidehDermanaki FarahaniDepartment of Chemistry, Faculty of Science, Arak University, Arak, Islamic Republic of IranJournal Article20241230In this study, the performance of the Box–Behnken, central composite and D-optimal designs (BBD, CCD or DOD, respectively) were compared for the use in modeling and optimizing the new study of the removal of phthalocyanine dye using magnetic nanoparticles iron oxide modified by ployaspartic acid (Fe3O4-PAs). As a case study, removal percent (%R) of phthalocyanine dye has been evaluated with all these experimental design approaches. The advantages and limitations of these different response surface techniques have been experimentally considered. All three designs were efficient in the statistical modeling and optimization of the influential process factors such as initial concentration of phthalocyanine dye (C), and adsorbent dosage (m), pH but the central composite design was the most consistent design due to the prediction closer to the experimental data. Based on the results of CCD, the optimized conditions for C, m, and pH variables are 40 mg/L, 9 mg, and 3.3 respectively that lead to %R = 99. In addition to these studies, the investigations of the dye desorption and the adsorbent reusability are complementary divisions of this research.In this study, the performance of the Box–Behnken, central composite and D-optimal designs (BBD, CCD or DOD, respectively) were compared for the use in modeling and optimizing the new study of the removal of phthalocyanine dye using magnetic nanoparticles iron oxide modified by ployaspartic acid (Fe3O4-PAs). As a case study, removal percent (%R) of phthalocyanine dye has been evaluated with all these experimental design approaches. The advantages and limitations of these different response surface techniques have been experimentally considered. All three designs were efficient in the statistical modeling and optimization of the influential process factors such as initial concentration of phthalocyanine dye (C), and adsorbent dosage (m), pH but the central composite design was the most consistent design due to the prediction closer to the experimental data. Based on the results of CCD, the optimized conditions for C, m, and pH variables are 40 mg/L, 9 mg, and 3.3 respectively that lead to %R = 99. In addition to these studies, the investigations of the dye desorption and the adsorbent reusability are complementary divisions of this research.https://chemistry.semnan.ac.ir/article_9797_2439f43581ceb8d9684fb6d33e6bae7b.pdf