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Open Access Article
1 - Graphical Abstract
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Open Access Article
2 - Functionalized metal-organic frameworks interacting with Histidine amino acid: DFT study
Anahita Bakhshandeh Fatemeh Ardestani Hamid Reza GhorbaniThe study of complexes between nanostructures and biomolecules has attracted the attention of many researchers in various fields because it can contribute to the coherent growth and widespread use of nanostructures in various technologies. One of the main goals is to fa MoreThe study of complexes between nanostructures and biomolecules has attracted the attention of many researchers in various fields because it can contribute to the coherent growth and widespread use of nanostructures in various technologies. One of the main goals is to fabricate structures with functional surfaces where proteins become immobilized without losing their biological activity. In this research, following a comprehensive approach, the interaction between different amino acids and metal-organic frameworks (MOFs) at atomic scale was evaluated using computational chemistry. For this purpose, density functional theory (DFT-D2) calculations was employed to afford a molecular description of the interaction properties of the amino acids and MOF-5 by examining the interaction energy and the electronic structure of the amino acid/MOF complexes. Strong interactions between the amino acids and MOF through their polar groups were reported as well as aromatic rings in the gas phase. However, findings were significantly different in solvent media, where water molecules prevent the amino acids from approaching the active sites of MOF, causing weak attractions between them. The accuracy of the DFT-PBE model of theory was validated against the comprehensive MP2 quantum level of theory. Comparing the present results with those obtained for perfect MOFs show that the binding energy of the Histidine amino acid is increased for physisorption on defected MOFs. Manuscript profile -
Open Access Article
3 - Synthesis, characterization and properties of hydrogel based on acrylic acid composite for removal of cadmium ion from wastewater
Arman Samadzadeh Mamaghani Mohammad Reza Manafi Mohammad HojjatiThe hydrogel of Poly (Acrylic Amide - Acrylic Acid)/ Chitosan (PAM-AA/CTS) synthesized via free radical polymerization of Acrylamide and acrylic acid as monomers also added chitosan, using MBA as a cross-linking agent and KPS as initiator at 60 °C. FTIR and TGA spec MoreThe hydrogel of Poly (Acrylic Amide - Acrylic Acid)/ Chitosan (PAM-AA/CTS) synthesized via free radical polymerization of Acrylamide and acrylic acid as monomers also added chitosan, using MBA as a cross-linking agent and KPS as initiator at 60 °C. FTIR and TGA spectroscopy were used to characterize the hydrogel. The FTIR results before and after absorbing Cd (II) reveals the presence of a broad absorption band in the range of 3190 - 3513 cm-1, where the O–H band overlaps with the N–H band, shows the presence of carboxylic and amines functional groups. Additionally, bands between 1743 and 1679 cm-1 suggest the presence of carbonyl bonds, and also, the sample was heated under an atmosphere with 10 °C.min-1 between 25 °C and 1000 °C. Though heating the hydrogel in ranges from 270-430 °C causes 50% mass loss that may be due to the pyrolysis of the carboxylic acids and amines groups. Hydrogel composed of PAM-AA/CTS efficiently removes heavy metals from aqueous solutions. Using the isotherm models of the Langmuir and Freundlich and those findings indicates that the potential is relatively high; however, the Langmuir equation does detect a good correlation with the Cd2+ ion. The maximum sorption capacity was determined to be 31.5 mg/g. Langmuir isotherm provided the best explanation for the current outcome. Thermodynamic analysis shows that the adsorption of Cd2+ is endothermic. These results show that hydrogels are effective, affordable, and ecologically acceptable materials for removing Cd2+ ions from aqueous solutions. Manuscript profile -
Open Access Article
4 - Synthesis of some chiral compounds using (MWCNTs)-COOH/Fe3O4-CaO magnetic nanostructures
Omekolsoom Shabani Navabeh Nami Rahimeh Hajinasiri Masoumeh HosseinzadehThe condensation of dimedone with sugars in the presence of a catalytic amount of (MWCNTs)-COOH/Fe3O4-CaO magnetic nanostructure gave some asymmetric furan derivatives in good yields. The products were identified by FT-IR, NMR spectra, and elemental analysis.The condensation of dimedone with sugars in the presence of a catalytic amount of (MWCNTs)-COOH/Fe3O4-CaO magnetic nanostructure gave some asymmetric furan derivatives in good yields. The products were identified by FT-IR, NMR spectra, and elemental analysis. Manuscript profile -
Open Access Article
5 - The possibility of adsorption of Duloxetine antipsychotic drug from blood plasma by using its molecular imprinted polymer
Naghmeh Ali Kahi Bahram Daraei Leila Torkian Maryam Shekarchi AmirHossein MonzaviThis paper reveals about the use of a molecular imprinted polymer (MIP) as a suitable sorbent for solid phase extraction application of Duloxetine (DUL) drug from the human blood plasma. Reproduction of the natural receptors of DUL antipsychotic via synthesis of its MIP MoreThis paper reveals about the use of a molecular imprinted polymer (MIP) as a suitable sorbent for solid phase extraction application of Duloxetine (DUL) drug from the human blood plasma. Reproduction of the natural receptors of DUL antipsychotic via synthesis of its MIP might result in formation of specialized active sites, which make the MIP able to link with that drug. Thus, this MIP selectively absorbs the DUL molecules from the plasma due to the synthesizing the MIP in the presence of this drug. In this study, the precipitation polymerization approach was used; in which, 2,2-azobisissobutyronitrile (AIBN; as the initiator), ethylene glycol dimethacrylate (EGDMA; as the cross-linker), and methacrylic acid (MAA; as the functional monomer) were applied. In addition, the adsorption of the drug from the plasma was investigated by HPLC system. Manuscript profile -
Open Access Article
6 - Green synthesis of isoquinoline derivatives using mlticomponent reaction of ninhydrin
Samanehsadat Sharifi Narjes HaeizadehIn this work, The 1,3-dipolar intermediates generated by addition of isoquinoline to dialkyl acetylenedicaboxylates are trapped by ninhydrin to produce spiro compounds in excellent yields. In addition, for investigation of antioxidant ability radical trapping by DPPH an MoreIn this work, The 1,3-dipolar intermediates generated by addition of isoquinoline to dialkyl acetylenedicaboxylates are trapped by ninhydrin to produce spiro compounds in excellent yields. In addition, for investigation of antioxidant ability radical trapping by DPPH and reducing power of ferric ion experiments was performed. As a result, synthesized compounds show excellent radical trapping by DPPH and good reducing ability of ferric ion. The current procedure has the benefits for instance excellent yield of reaction, green media and easy separation of product and catalyst. Manuscript profile -
Open Access Article
7 - Synthesis of iminofurane derivatives using one pot multicomponent reaction: Dynamic NMR Study
Sayyed Jalal Shams-Najafi Maryam Ghazvini Faramarz Rostami-CharatiIn this research the reaction between alkyl(aryl) isocyanides, dibenzoylacetylene, ninhydrin and ammonium acetate leads to production of highly functionalized inminofuranes. A dynamic NMR effect is observed in the 1H NMR spectra of these compounds as a result of restric MoreIn this research the reaction between alkyl(aryl) isocyanides, dibenzoylacetylene, ninhydrin and ammonium acetate leads to production of highly functionalized inminofuranes. A dynamic NMR effect is observed in the 1H NMR spectra of these compounds as a result of restricted rotation around the single bond linking the indole moiety and the furan system. The free-energy of activation (ΔG#) for this process is 75-83 kJ mol-1. Manuscript profile -
Open Access Article
8 - A Simple and one-pot synthesis of imintriazole derivatives under Solvent-free conditions
Narges Ghasemi Parvaneh Firoozi Khanghah Mahboubeh Ghasemian DazmiriAn efficient synthesis of iminetriazole derivatives is described via an one-pot reaction between acid chlorides, 3-amino-2-butanone, primary amines and hydrazonoyl chloride under solvent-free conditions at room temperature in good yields. Also, the antimicrobial activit MoreAn efficient synthesis of iminetriazole derivatives is described via an one-pot reaction between acid chlorides, 3-amino-2-butanone, primary amines and hydrazonoyl chloride under solvent-free conditions at room temperature in good yields. Also, the antimicrobial activity of some synthesized compounds proved by employing the disk diffusion test on Gram-positive and Gram-negative bacteria. This procedure has some benefits such as short reaction time, product with excellent yields, simple catalyst and products separation. Manuscript profile -
Open Access Article
9 - Synthesis of isoquinoline and quinoline derivatives using multicomponent reactions of ammonium acetate
Samanehsadat Sharifi Samira KhandanIn this research, isoquinoline or quinolinethat reacts smoothly with activated acetylenic compounds in the presence of ammonium acetate to produce isoquinoline or quinoline derivatives. The advantages of this procedure than to reported methods are short time of reaction MoreIn this research, isoquinoline or quinolinethat reacts smoothly with activated acetylenic compounds in the presence of ammonium acetate to produce isoquinoline or quinoline derivatives. The advantages of this procedure than to reported methods are short time of reaction, high yields of product, easy separation of product, clean mixture of reaction and green media for performing reaction. Manuscript profile
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