Iranian chemical communication2423-49587Issue 1, pp. 1-89, Serial No. 2220190101Multivariate curve resolution-alternating least squares applied to kinetic spectrophotometric data for the determination of mixtures of aliphatic amines114531710.30473/icc.2018.42439.1478ENMasoumehHasaniFaculty of Chemistry, Bu-Ali Sina University, Hamedan, IranTayebehSayarpourBu-Ali Sina UniversityAbbasKaramiBu-Ali Sina UniversityMasoudShariati-radRazi UniversityJournal Article20181118Kinetic spectrophotometric second order data based on the reaction of 1,2-naphthoquinone-4-sulphonate (NQS) coupled with multivariate curve resolution-alternating least squares (MCR-ALS) has been proposed for simultaneous determination of ethylamine, propylamine and butylamine. Using second-order advantage, MCR-ALS methodology can solve problems of quantitation of analyte in the presence of unknown and uncalibrated interferences. Ethylamine, propylamine and butylamine react differentially with NQS at pH 9.5. Therefore, determination of these amines has been carried out due to the difference between their reaction rates. Quantitative determination of each amine in the mixture is performed using a synthetic solution as standard containing only the amine of interest. The MCR-ALS results are evaluated by the residuals and parameters such as lack of fit. The quantitative determination of these amines in different synthetic mixtures and some real samples such as river water, well water, tap water and soil has been performed and the results have been found to have good recoveries.https://icc.journals.pnu.ac.ir/article_5317_4996f83fc7cfe2a4d23782093d6ab913.pdfIranian chemical communication2423-49587Issue 1, pp. 1-89, Serial No. 2220190101One-pot synthesis of highly regioselective β-azido alcohols catalyzed by Brønsted acidic ionic liquids1528764610.30473/icc.2019.7646ENSarvinMohammadi-AghdamDepartment of Chemistry, Payame Noor University, PO box 19395-3197, Tehran, IranHadiJabbariDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, IranOmidaliPouralimardanDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, IranFaterDivsarDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, IranIssaAminiDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, IranSamiSajjadifarDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, IranJournal Article20180728In this protocol, 3-(2-carboxybenzoyl)-1-methyl-1H-imidazol-3-ium chloride [Cbmim]Cl and sulfonic acid functionalized pyridinium chloride [pyridine-SO3H]Cl as a new, reusable, and green Brønsted acidic ionic liquid (BAIL) catalyst were synthesized and successfully used for the one-pot ring opening of epoxide with sodium azide (NaN3) in water at room temperature. Epoxides under ring-opening easily with NaN3 in the presence of [Cbmim]Cl and [pyridine-SO3H]Cl to afford the corresponding β-azido alcohols as attractive and interesting materials in drug design and pharmaceutics compounds in high yield with good regioselective under mild reaction conditions.<br /> <br /> In this protocol, 3-(2-carboxybenzoyl)-1-methyl-1H-imidazol-3-ium chloride [Cbmim]Cl and sulfonic acid functionalized pyridinium chloride [pyridine-SO3H]Cl as a new, reusable, and green Brønsted acidic ionic liquid (BAIL) catalyst were synthesized and successfully used for the one-pot ring opening of epoxide with sodium azide (NaN3) in water at room temperature. Epoxides under ring-opening easily with NaN3 in the presence of [Cbmim]Cl and [pyridine-SO3H]Cl to afford the corresponding β-azido alcohols as attractive and interesting materials in drug design and pharmaceutics compounds in high yield with good regioselective under mild reaction conditions.https://icc.journals.pnu.ac.ir/article_7646_49929f7462e386f328220c7b4a6c486c.pdfIranian chemical communication2423-49587Issue 1, pp. 1-89, Serial No. 2220190101Preparation, characterization and Photo-inactivation of cellulose nanocrystals impregnated with meso-tetrakis(4-nitrophenyl)porphyrin2938421710.30473/icc.2019.4217ENFatemehFayyazDepartment of Science, Payame Noor University, P.O. BOX 19395-3697 Tehran, IranMahboubehRabbaniBioinorganic chemistry laboratory, Department of Chemistry, Iran University of Science and Technology, Narmak, Tehran, 16846-13114, Iran.RahmatollahRahimiBioinorganic chemistry laboratory, Department of Chemistry, Iran University of Science and Technology, Tehran, 16846-13114, Iran.MehdiRassaDepartment of Biology, Faculty of Science, Guilan University, Rasht, IranJournal Article20170130In this study, cellulose nanocrystals (CNC) was prepared and meso-tetrakis(4-nitrophenyl)porphyrin (TNPP) was immobilized on it. The product was identified by techniques of UV-Vis, fourier transform infrared (FT-IR), diffuse reflectance UV-Vis spectroscopy (DRS), energy-dispersive X-ray spectroscopy (EDX) and scanning electron microscopy (SEM). The effect of an amount of a loaded porphyrin compound containing the nitro group on CNC was investigated against a typical Gram negative bacterium, Pseudomonas aeruginosa, and a typical Gram positive bacterium, Bacillus subtilis, under visible light irradiation. The results indicated that CNC incorporated with 14.9% TNPP has a good effect on the photo-inactivation of P. aeruginosa and can be used in the textile, biomedicine, biomaterials engineering, membranes and polymer nanocomposites.https://icc.journals.pnu.ac.ir/article_4217_3483efc06900efcddb06c47cd2f21637.pdfIranian chemical communication2423-49587Issue 1, pp. 1-89, Serial No. 2220190101Prediction of IC50 of 2,5-diaminobenzophenone organic derivatives using informatics-aided genetic algorithm3951493210.30473/icc.2018.4932ENRashidHeidarimoghadamDepartment of Ergonomics, Health Sciences Research Center, School of Public Health, Hamadan University of Medical Sciences, Hamadan, IRAN.Seyede ShimaMortazaviYoung Researchers & Elite Club, Hamedan Branch, Islamic Azad University, Hamedan, IRANAbbasFarmanyDental Research Center, School of Dentistry, Hamadan University of Medical Sciences, Hamadan, IRANJournal Article20180902In the present paper, informatics-aided quantitative structure activity relationship (QSAR) models using genetic algorithm-partial least square (GA-PLS), genetic algorithm-Kernel partial least square (KPLS), and Levenberg-Marquardt artificial neural network (LM ANN) approach were constructed to access the antimalarial activity (pIC50) of 2,5-diaminobenzophenone derivatives. Comparison of errors and correlation coefficients obtained by the models it was shown that the LM ANN approach works with a high correlation coefficient and low prediction error. This model was applied to the prediction of pIC50 values of 2,5-diaminobenzophenone derivatives. Applying the extended model to a dataset of 20 compounds demonstrate the reliability and accuracy of the model. Comparing three models revealed the superiority of the L-M ANN to predict the pIC50 of 2,5-diaminobenzophenones derivatives.https://icc.journals.pnu.ac.ir/article_4932_4aa9b8e65178146b3fd3b2ad1df7d236.pdfIranian chemical communication2423-49587Issue 1, pp. 1-89, Serial No. 2220190101New pyrazolone derivatives synthesis: comparison of the catalytic effect of three typically different Brønsted acid catalysts on the reaction progression5262493710.30473/icc.2018.4937ENGholamabbasChehardoliDepartment of Medicinal Chemistry, School of Pharmacy, Hamedan University of Medical SciencesNavidMansouriDepartment of medicinal chemistry, School of Pharmacy, Hamadan University of Medical Sciences, Hamadan 6517838695, Iran.Journal Article20180717Via the one-pot condensation reaction of ethyl acetoacetate, aromatic aldehydes, 2,4-dinitrophenylhydrazine, and β-naphthol; new pyrazolone derivatives were synthesized in the presence of three Brønsted acid catalysts. These Brønsted acid catalysts are Silica sulfuric acid (SSA), tetra-n-butyl ammonium hydrogen sulfate (TBAHSO4) and [2,2′-Bipyridine]-1,1′-diium tricyanomethanide {[2,2′-BPyH][C(CN)3]2}. Each of these combinations has its own characteristics. SSA is a heterogeneous catalyst. TBAHSO4 is a phase transfer catalyst and {[2,2′-BPyH][C(CN)3]2} is an ionic liquid. We compared the obtained results of these catalysts. In most cases, the results were comparable. But, sometimes TBAHSO4 and {[2,2′-BPyH][C(CN)3]2} give the better results to the SSA in term of reaction time and yields. Even though, isolation of SSA from products was easier than the separation of two other catalysts.https://icc.journals.pnu.ac.ir/article_4937_77b53189830f19dff47fea9e85aaa117.pdfIranian chemical communication2423-49587Issue 1, pp. 1-89, Serial No. 2220190101Study of structure and thermal properties of styrene-butylacrylate copolymer with OMMT nanocomposite emulsions6370423410.30473/icc.2019.4234ENMohsenOftadehChemistry Department, Payame Noor University, 19395-4697 Tehran, IranFahadHajatiDepartment of Chemistry, Islamic Azad University, Shahreza Branch, P.O.BOX 311-86145, Shahreza, Isfahan, Iran.MortazaJamshidiDepartment of Chemistry, Islamic Azad University, Shahreza Branch, P.O.BOX 311-86145, Shahreza, Isfahan, Iran.HamidJavaherian NaghashDepartment of Chemistry, Islamic Azad University, Shahreza Branch, P.O.BOX 311-86145, Shahreza, Isfahan, Iran.Journal Article20170616(St-co-BA) polymer through montmorillonite (MMT) nanocomposite emulsion is prepared by in situ intercalative emulsion polymerization of styrene (St), butyl acrylate (BA) in the presence of organic modified montmorillonite (OMMT) with different OMMT contents (0, 0.5, 1.0, 1.5, and 2.0 wt%). The synthetic compounds are characterized by FTIR, XRD. The nanocomposite emulsions are characterized by applying FTIR, SEM, TEM, TGA and DSC techniques in order to investigate the structure and the thermal properties of the coplymer. The properties of the nanocomposite emulsions containing OMMT are better than styrene-acrylate emulsion. The study of monomer conversion versus time and different OMMT contents indicates that the polymerization rate is decreased by increasing the concentration of styrene and OMMT. Consequently the properties of the nanocomposite emulsion containing 1 wt % OMMT are better than other contents. https://icc.journals.pnu.ac.ir/article_4234_73f9858c522e4ed8ec70859d4e6beaad.pdfIranian chemical communication2423-49587Issue 1, pp. 1-89, Serial No. 2220190101Synthesis, characterization and spectroscopic properties of new azo dyes derived from aniline derivatives based on acetylacetone and azo-metal (II) complexes and singular value decomposition (SVD) investigation7189395110.30473/icc.2019.3951ENNaderNoroozi PesyanFaculty of Chemistry, Urmia University, 57159, Urmia, IranValiGholsanamlooFaculty of Chemistry, Urmia University, 57159,Urmia, IranMaryamMoradi ParFaculty of Chemistry, Urmia University, 57159,Urmia, IranHamidRashidnejadFaculty of Chemistry, Urmia University, 57159,Urmia, IranAliGharibDepartment of Chemistry, Islamic Azad University, Mashhad, IranKameliaNejatiDepartment of Chemistry, Payame Noor University, PO.BOX 19395-3697 Tehran, IranJournal Article20160925Four new azo-dyes, 3-phenyl azopentane-2,4-dion (LA), 3-(4-nitro phenyl azo)-pentane-2,4-dion (LP), 3-(2-nitro phenyl azo)-pentane-2,4-dion (LO) and 4-(1-acetyle-2-oxo-propyl azo)-benzene sulfonate sodium (LS), were synthesized from, aniline, 4-nitroaniline, 2-nitroaniline and sulfanilic acid with acetylacetone, respectively. Reaction of these new dyes with acetate salts of copper(II), nickel(II) and cobalt(II) in molar ratios of 1:2 were carried out to produce azo metal (II) complexes with the general stoichiometry; CuL2, CoL2 and NiL3 in complexes. Structure of azo dyes was characterized using FT-IR,1H NMR,13C NMR, UV-Visible and also the corresponding metal (II) complex were characterized by FT IR, UV-Visible and CHN and XRD analysis techniques. Elemental analysis and spectral data indicated that the dye as a ligand with two teeth, N and O, acts as a bidentate ligand. Differences in absorption maxima of azo ligands compared to those corresponding complexes were also studied. Also, in this work, singular value decomposition (SVD) as a chemometric method was used to determine the Cu(II), Co(II) and Ni(II) complexes with the mentioned ligands in methanol by UV-Vis spectrophotometry. SVD method confirmed the formation of CuL2, CoL2 and NiL3 complexes.https://icc.journals.pnu.ac.ir/article_3951_f1ed75301ccbf498182b35a4e82a870f.pdf