Sami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Lactoperoxidase inhibition by tautomeric propylthiouracils1108322810.22034/AJGC/2020.1.1ENMehdi SoleimaniDepartment of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, IranMahmoud MirzaeiDepartment of Biomaterials, Nanotechnology and Tissue Engineering, School of Advanced Technologies in Medicine, Isfahan University of Medical Sciences, Isfahan, IranMohammad R. MofidDepartment of Biochemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, IranGhadamali KhodarahmiDepartment of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, IranS. Farid RahimpourDepartment of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, IranJournal Article20190115Lactoperoxidase (LPO) enzyme inhibition by tautomeric propylthiouracil (PTU) structures have been investigated in this work based on the <em>in silico</em> methodologies. Six possible PTU structures have been optimized to obtain their energy-minimized structures based on quantum mechanics computations. Afterwards, their interactions with LPO enzyme have been evaluated based on molecular docking simulations. The results indicated that the structural changes of PTU analogues could perturbate the interaction properties, in which it could be seen by either the magnitudes of binding energies or the types of interacting amino acids. In this work, the original thio-keto structure of PTU showed better interaction properties with LPO enzyme; however, the properties for other PTU derivatives have been deviated from this reference model. It is known that the tautomerism is common for biological structures; therefore, exploring their arisen effects on the structural properties and activities could reveal insightful information for judging their potency and efficacy.https://www.ajgreenchem.com/article_83228_3c38edbda5c621be9fa27306d7a54c73.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101TiO2-graphene/chitosan nanocomposite: preparation and its application for removal of anionic dyes11328333310.22034/AJGC/2020.1.2ENRobab MohammadiDepartment of Chemistry, Payame Noor University, PO box 19395-3697, Tehran, IranNasrin SabourmoghaddamDepartment of Environment and Natural Resources, Payame Noor University, P.O. Box 19395-3697 Tehran, IranJournal Article20181201In this work, TiO<sub>2</sub>-graphene/chitosan nanocomposite with high photocatalytic activity was successfully synthesized and characterized by various analyses such as XRD, TEM, SEM, EDX and DRS. The photocatalytic activity was tested vs. removal of methyl red as ananionic dye under black light radiation. Based on the results, TiO<sub>2</sub>-graphene/chitosan nanocomposite could effectively remove methyl red, and demonstrate an excellent photocatalytic enhancement over TiO<sub>2</sub> and TiO<sub>2</sub>-graphene samples. The degradation reaction fit well to a Langmuir-Hinshelwood kinetic model implying that the reaction rate is depended on the initial adsorption step. An artificial neural network (ANN) comprising four input variables (TiO<sub>2</sub>-graphene/chitosan dosage, initial dye concentration, reaction time and temperature of the solution), eight neurons and an output variable (Removal efficiency %) was optimized, tested and validated for methyl red degradation by the prepared TiO<sub>2</sub>-graphene/chitosan nanocomposite. The results showed that the predicted data from the designed ANN model are in good agreement with the experimental data with a correlation coefficient (R<sup>2</sup>) of 0.9831. Based on the results, reaction time is the most influential variable and the temperature of solution is the less influential parameter in the removal efficiency of methyl red.https://www.ajgreenchem.com/article_83333_b6376b563556713baa59bb2058ecb674.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Removal the acid blue-15 dye from water by chitosan: kinetic and thermodynamic study33508339110.22034/AJGC/2020.1.3ENMohammed A. Al-AnberDepartment of Chemistry, Faculty of Sciences, Mu´tah University, P.O. Box 7, 61710 Al-Karak, JordanWala’ Al-QaisiDepartment of Chemistry, Faculty of Sciences, Mu´tah University, P.O. Box 7, 61710 Al-Karak, JordanJournal Article20181210This study concerns the removal of acid blue-15 (AB-15) from water using chitosan through the batch sorption. To get the best percentage of removal, several experimental parameters have been used such as the initial concentration, temperature, and pH. The results show that the pH of the interaction medium does not indicate a significant influence in the adsorption process. In addition, the percentage of removal increased with the increase of dosage of chitosan and temperature of the reaction vessel. Furthermore, the percentage of removal decreases with the increase in the initial concentration of the AB-15 solution. The adsorption of AB-15 on the chitosan fits better with the Freundlich (<em>R</em><sup>2</sup>= 0.998) than the Langmuir model. The adsorption kinetics follows the pseudo-first order (<em>R<sup>2</sup></em>> 0.998) but not the pseudo-second-order model. The obtained results of this study show that chitosan has a potential application as a membrane to remove the AB-15 from industrial effluents.https://www.ajgreenchem.com/article_83391_ffd63d468f74a7ae65355ab16a074540.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Synthesis of a new Ag supported on hydroxyapatite-core-shell-γ-Fe2O3 nanoparticles (γ-Fe2O3@HAp-Ag NPs) and its application as a Lewis acid catalyst in the preparation of β-azidoalcohols and β-thiocyanohydrins from epoxides51598385310.22034/AJGC/2020.1.4ENIssa AminiDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, IranVahid AzizkhaniDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran0000-0001-5077-4571Elham EzzatzadehDepartment of Chemistry, Ardabil Branch, Islamic Azad University, Ardabil, Iran0000-0002-6271-7694Kaushik PalMaterials Science Centre, Indian Institute of Technology, Kharagpur 721 302, IndiaSobhan RezayatiDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran0000-0001-8940-2927Mohammad Hossein FekriDepartment of Chemistry, Ayatollah Alozma Borujerdi University, Borujerd, IranParisa ShirkhaniDepartment of Chemistry, Faculty of Science, Ilam University, P.O. Box 69315516, Ilam, IranJournal Article20181209In this study, we synthesized Ag supported on hydroxyapatite-core-shell-<em>γ</em>-Fe<sub>2</sub>O<sub>3</sub> nanoparticles (<em>γ</em>-Fe<sub>2</sub>O<sub>3</sub>@HAp-Ag NPs) as a new, lewis acid, and reusable heterogeneous nancatalyst. Then, it was successfully used for the synthesis of <em>β</em>-azido alcohols and <em>β</em>-thiocyanohydrins from the regioselective conversation of some epoxides by azide and thiocyanate anions in water. The reaction afforded the corresponding products with high regioselectivity under mild reaction conditions.https://www.ajgreenchem.com/article_83853_d3aaa19f5efe8e5679666702333b2f05.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Reverse water gas shift reaction over tungsten carbide prepared catalyst from waste date palm fronds at low temperatures reverse water gas shift reaction60748420310.22034/AJGC/2020.1.5ENSalma Mohamed Saleh Omar KorbagDepartment of Chemistry, College of Art and Science, University of Benghazi, Al Kufra, Libya0000-0001-7493-0698Issa Mohamed Saleh Omar KorbagDepartment of Chemistry, College of Art and Science, University of Benghazi, Al Kufra, LibyaJournal Article20181103The reverse water gas shift reaction over the prepared tungsten carbide alloy (WC/AC) from date palm fronds catalyst was studied by CO<sub>2</sub> hydrogenation, temperature-programmed reduction of the WC/AC catalyst. In comparison to the reaction of CO<sub>2</sub> alone, hydrogen can significantly promote the CO formation in the RWGS reaction. The formate derived from association of H<sub>2</sub> and CO<sub>2</sub> is proposed to be the key intermediate for CO production. Formate dissociation mechanism is the major reaction route for CO production. The reverse water gas shift (RWGS) reaction over WC/AC with potassium (K) promoter was studied by means of CO<sub>2</sub> hydrogenation at temperature programmed. The main role of Potassium oxide (K<sub>2</sub>O) was to provide catalytic activity for decomposition of formats, besides acting as a promoter for CO<sub>2</sub> adsorption. Hydrogen was dissociatively adsorbed on WC/AC and could spill over to K<sub>2</sub>O to associate with CO<sub>2</sub>. This resulted in the formation of formate species for the production of CO.https://www.ajgreenchem.com/article_84203_a087eab95f0c0b79c6b9d1805b26ade1.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Polyethylene glycol-bis (N-methylimidazolium) dihydroxide as an efficient and recyclable basic phase-transfer catalyst for the synthesis of 4H-pyran derivatives in aqueous media75868430310.22034/AJGC/2020.1.6ENMehdi Fallah-MehrjardiDepartment of Chemistry, Payame Noor University (PNU), 19395-3697, Tehran, Iran Research Center of Environmental Chemistry, Payame Noor University, Ardakan, Yazd, IranMojgan ForoughiDepartment of Chemistry, Payame Noor University (PNU), 19395-3697, Tehran, IranSayed Hossein BanitabaDepartment of Chemistry, Payame Noor University (PNU), 19395-3697, Tehran, Iran Research Center of Environmental Chemistry, Payame Noor University, Ardakan, Yazd, Iran0000-0002-2536-9280Journal Article20181220Polyethylene glycol-bis (<em>N</em>-methylimidazolium) dihydroxide, [PEG(mim)<sub>2</sub>][OH]<sub>2</sub>, was prepared from the reaction of polyethylene glycol-bis (<em>N</em>-methylimidazolium) dibromide and sodium hydroxide in aqueous media at ambient temperature. The obtained solid was used as a novel, green, recyclable and efficient basic phase-transfer catalyst in the synthesis of 2-amino-3-cyano-4<em>H</em>-pyrans <em>via</em> the one-pot three-component condensation reaction of aromatic aldehydes, malononitrile and 1,3-dicarbonyl compounds in water at room temperature. The reactions without any basic reactants and in the presence of trace amounts of the catalyst gave the corresponding products with high yields in short reaction times. The phase-transfer catalyst could be successfully reused without the significant decrease in its activity.https://www.ajgreenchem.com/article_84303_6c2bc9cfcadd06896abc7a8a66ad84a0.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Saccharin as a new organocatalyzed: a fast, highly efficient and environmentally friendly protocol for synthesis of imidazo[1,2-α]pyridine derivatives via a one-three component reaction87978438910.22034/AJGC/2020.1.7ENSorour RamezanpourDepartment of Chemistry , K. N. Toosi University of Technology, P.O. Box 15875-4416 Tehran, IranZahra BigdeliDepartment of Chemistry , K. N. Toosi University of Technology, P.O. Box 15875-4416 Tehran, IranFrank RomingerOrganisch-Chemisches Institut der Universitaet Heidelberg, Im Neuenheimer Feld 270, 69120 Heidelberg, GermanyJournal Article20181107In this research article, we report the synthesis of imidazo[1,2-<em>a</em>]pyridine derivatives through Ugi condensation in the presence of saccharin as an organocatalyst used in a three component reaction. The convenient synthetic protocol, short reaction times, easy work up, good to excellent yields and mild reaction conditions make this process both practical and attractive.https://www.ajgreenchem.com/article_84389_9d072c6508ccbbbf23da53ca2e132c84.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Studies on mechanical properties of isoro fibers mixed with calcium corbanate reinforced with polypropylene981068497210.22034/AJGC/2020.1.8ENSanthoskumar A. UmapathiDepartment of Chemical Engineering, Dr. MGR Educational & Research Institute University, Madhuravoyal, Chennai-95Jaya Chitra NatarajanDepartment of Chemical Engineering, Dr. MGR Educational & Research Institute University, Madhuravoyal, Chennai-95Journal Article20181221The aim of this study is to investigate the effectiveness of isora fibre mixed with 1% calcium carbonate (CaCO<sub>3</sub>) as reinforcement for polypropylene (PP) thermoplastic matrix. Isora fibers were subjected to mercerization prior to blending with PP in order to obtain good interfacial adhesion with the matrix. A PP/isora composite has been prepared by melt blending of PP with 5%, 10%, 15%, 20% alkali treated Isora fibre in co-rotating twin screw extruder. The extruded strands are pelletized and then injection moulded to obtain specimens. The optimum compositions of the PP/alkali treated isora composites were mixed with 1% CaCO<sub>3</sub>. Fibre-matrix adhesion will be analysed by mechanical and thermal properties of the composites were evaluated.https://www.ajgreenchem.com/article_84972_0c13b21d13801c99c299433707819712.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Adsorption of azo dye methyl orange from aqueous solutions using TiO2-SiO2/alginate nanocomposite1071208574710.22034/AJGC/2020.1.9ENRobab MohammadiDepartment of Chemistry, Payame Noor University, PO box 19395-3697, Tehran, IranNasrin SabourmoghaddamDepartment of Environment and Natural Resources, Payame Noor University, P.O. Box 19395-3697 Tehran, IranJournal Article20181218In this research work, TiO<sub>2</sub>-SiO<sub>2</sub>/alginate nanocomposite with high surface area has been prepared and applied as adsorbent for the removal of azo dye methyl orange from aqueous solutions. Characteristics of phases and crystallite size of TiO<sub>2</sub>-SiO<sub>2</sub>/alginate nanocomposite were obtained from XRD and the surface area and pore size distribution were achieved from BET and BJH analysis methods. TiO<sub>2</sub>-SiO<sub>2</sub>/alginate nanocomposite with pure anatase phase, the average crystallite size of 8.3 nm, has specific surface area of 188.4 m<sup>2</sup>/g<sup>–1</sup>. To find the nature of adsorption procedure, the equilibrium adsorption isotherms were investigated. The linear correlation coefficients of Langmuir, Freundlich and Temkin isotherms were obtained. Based on results, Langmuir isotherm model fitted the experimental data better than the other models. According to the Langmuir isotherm model, the maximum adsorption capacity of TiO<sub>2</sub>-SiO<sub>2</sub>/alginate nanocomposite for sequestering methyl orange was about 68.85 mg/ . Furthermore, negative ΔG<sup>0</sup> and ΔH<sup>0</sup> values obtained through thermodynamic investigation indicated that the adsorption of methyl orange onto TiO<sub>2</sub>-SiO<sub>2</sub>/alginate nanocomposite was simultaneous and exothermic in nature, respectively.https://www.ajgreenchem.com/article_85747_9039bff24ab80357fba1945beb7acf21.pdfSami Publishing CompanyAsian Journal of Green Chemistry2588-58394120200101Oxidative stress and plant deriving antioxidants1211338587010.22034/AJGC/2020.1.10ENAneta PopovaDepartment of Catering and tourism, Economics Faculty, University of Food Technologies, 26 Maritza Blvd. BG-4002 Plovdiv, BulgariaJournal Article20190103Antioxidant activity is strongly influenced by the amount of total phenolics, natural habitat and the specific growing conditions (climate, soil minerals, humidity external contaminants), flowering period and other factors. A number of degenerative diseases <em>i.e.</em> cancer, autoimmune diseases, rheumatoid arthritis, cardiovascular <em>etc</em>. are due to oxidative stress. The human body has several mechanisms to counteract oxidative stress, by producing natural antioxidants or by submitting them to the outside through food and/or supplements. Once the antioxidant enters the body, it does not necessarily pass unchanged through the gastro-intestinal tract. It must therefore be considered bioavailability and bioactivity. The bioavailability of phenolic and polyphenolic compounds was studied in detail over the past two decades, whether by examining the kinetic models of polyphenol absorption in body fluids of healthy free radicals or by enhancing the immune system and reducing the risk of cancer and degenerative diseases. In recent years, there has been an increased interest in finding natural antioxidants because they can interfere with the distribution of reactions of free radicals. The most effective components are phenolic compounds contained in many vegetable raw materials.https://www.ajgreenchem.com/article_85870_ee16cdfe0a00323dc6aa3a77573f886b.pdf