Pub Date : 2018-10-01DOI: 10.33945/SAMI/ECC.2019.1.2
S. N. Azizi, S. Rostami, N. Asemi
In this study, hierarchical H-ZSM-5 zeolite is prepared via post-synthetic modification of parent H-ZSM-5 zeolite (Si/Al=35) synthesized from bagasse (BGA) as silica source using desilication with alkaline treatment (AT). For optimizing the effective parameters on desilication, Taguchi method was utilized. Cultivated BGA in the south of the Caspian Sea (Mazandaran province, Iran) is applied for extracting silica powder and used in the synthesis of zeolite. In this work, two responses have been considered. The First and the second responses are the maximum amounts of extracted silicone and the removal of Pb2+ % from aqueous solutions, respectively. For this purpose, the effect of four important factors with three selected levels including; concentration of NaOH solution (0.1, 0.2 and 0.5 M), temperature (25, 55 and 85 Co), time of reflux (30, 60 and 120 min) and molar ratio of TMAOH/ NaOH (0.5, 1 and 1.5) are studied on both of the responses. TMAOH was defined as tetra methyl ammonium hydroxide. According to Taguchi method, the optimum conditions for both responses are concluding as Concentration of NaOH solution=0.2 M, temperature =55 Co, time of reflux=120 min and molar ratio of TMAOH/ NaOH=0.5. The results display that Concentration of NaOH solution in comparison to other factors is the most effective one in both responses. Also, AT-05-ZSM-5 is selected as the optimum zeolite with volumes 278.13 ppm and 90.2 % with S/N ratios 48.878 and 39.097 for the first and the second responses, respectively. Parent H-ZSM-5 and AT-05-ZSM-5 are characterized by x-ray diffraction (XRD), scanning electronic microscopy (SEM), Fourier transform infra-red (IR), Brunauer–Emmett–Teller (BET), Barrett-Joyner-Halenda (BJH) and inductively coupled plasma-optical emission spectrometery (ICP-OES). AT-05- ZSM-5 demonstrates a limit and uniform meso-pore average size distribution at 7.65 nm using alkaline treatment.
{"title":"Preparing hierarchical nanoporous ZSM-5 zeolite via post-synthetic modification of zeolite synthesized from bagasse and its application for removal of Pb2+","authors":"S. N. Azizi, S. Rostami, N. Asemi","doi":"10.33945/SAMI/ECC.2019.1.2","DOIUrl":"https://doi.org/10.33945/SAMI/ECC.2019.1.2","url":null,"abstract":"In this study, hierarchical H-ZSM-5 zeolite is prepared via post-synthetic modification of parent H-ZSM-5 zeolite (Si/Al=35) synthesized from bagasse (BGA) as silica source using desilication with alkaline treatment (AT). For optimizing the effective parameters on desilication, Taguchi method was utilized. Cultivated BGA in the south of the Caspian Sea (Mazandaran province, Iran) is applied for extracting silica powder and used in the synthesis of zeolite. In this work, two responses have been considered. The First and the second responses are the maximum amounts of extracted silicone and the removal of Pb2+ % from aqueous solutions, respectively. For this purpose, the effect of four important factors with three selected levels including; concentration of NaOH solution (0.1, 0.2 and 0.5 M), temperature (25, 55 and 85 Co), time of reflux (30, 60 and 120 min) and molar ratio of TMAOH/ NaOH (0.5, 1 and 1.5) are studied on both of the responses. TMAOH was defined as tetra methyl ammonium hydroxide. According to Taguchi method, the optimum conditions for both responses are concluding as Concentration of NaOH solution=0.2 M, temperature =55 Co, time of reflux=120 min and molar ratio of TMAOH/ NaOH=0.5. The results display that Concentration of NaOH solution in comparison to other factors is the most effective one in both responses. Also, AT-05-ZSM-5 is selected as the optimum zeolite with volumes 278.13 ppm and 90.2 % with S/N ratios 48.878 and 39.097 for the first and the second responses, respectively. Parent H-ZSM-5 and AT-05-ZSM-5 are characterized by x-ray diffraction (XRD), scanning electronic microscopy (SEM), Fourier transform infra-red (IR), Brunauer–Emmett–Teller (BET), Barrett-Joyner-Halenda (BJH) and inductively coupled plasma-optical emission spectrometery (ICP-OES). AT-05- ZSM-5 demonstrates a limit and uniform meso-pore average size distribution at 7.65 nm using alkaline treatment.","PeriodicalId":14624,"journal":{"name":"Iranian Chemical Communication","volume":"136 1","pages":"75-86"},"PeriodicalIF":0.0,"publicationDate":"2018-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73931353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-12-12DOI: 10.33945/SAMI/ECC.2019.1.7
Z. Rostami, E. Pourbasheer
A comparative workflow, including linear and non-linear QSAR models, was carried out to evaluate the predictive accuracy of models and predict the inhibition activity of a series of aryl-substituted isobenzofuran-1(3H)-ones. The data set consisted of 34 compounds was classified into the training and test sets, randomly. Molecular descriptors were selected using the genetic algorithm (GA) as a feature selection tool. Various linear models based on multiple linear regression (MLR), principle component regression (PCR) and partial least square (PLS) and non-linear models based on artificial neural network (ANN), adaptive network-based fuzzy inference system (ANFIS) and support vector machine (SVM) methods were developed and compared. The accuracy of the models was studied by leave-one-out cross-validation (Q_LOO^2), Y-randomization test and group of compounds as external test set. Six descriptors were selected by GA to develop predictive models. With respect to the linear models, GA-PCR method was more accurate than the reset with statistical results of 〖 R〗_train^2=0.883, R_test^2=0.897,〖 R〗_(adj,train)^2=0.829,〖 R〗_(adj,test)^2=0.849,〖 F〗_train=24.07 and F_test=34.17. In case of non-linear models, GA-SVM (R_train^2=0.992 and R_test^2=0.997) showed high predictive accuracy for the inhibitory activity. It was found that the selected descriptors have the major roles in interpretation of biological activities of the compounds.
{"title":"A comparative QSAR study of aryl-substituted isobenzofuran-1(3H)-ones inhibitors","authors":"Z. Rostami, E. Pourbasheer","doi":"10.33945/SAMI/ECC.2019.1.7","DOIUrl":"https://doi.org/10.33945/SAMI/ECC.2019.1.7","url":null,"abstract":"A comparative workflow, including linear and non-linear QSAR models, was carried out to evaluate the predictive accuracy of models and predict the inhibition activity of a series of aryl-substituted isobenzofuran-1(3H)-ones. The data set consisted of 34 compounds was classified into the training and test sets, randomly. Molecular descriptors were selected using the genetic algorithm (GA) as a feature selection tool. Various linear models based on multiple linear regression (MLR), principle component regression (PCR) and partial least square (PLS) and non-linear models based on artificial neural network (ANN), adaptive network-based fuzzy inference system (ANFIS) and support vector machine (SVM) methods were developed and compared. The accuracy of the models was studied by leave-one-out cross-validation (Q_LOO^2), Y-randomization test and group of compounds as external test set. Six descriptors were selected by GA to develop predictive models. With respect to the linear models, GA-PCR method was more accurate than the reset with statistical results of 〖 R〗_train^2=0.883, R_test^2=0.897,〖 R〗_(adj,train)^2=0.829,〖 R〗_(adj,test)^2=0.849,〖 F〗_train=24.07 and F_test=34.17. In case of non-linear models, GA-SVM (R_train^2=0.992 and R_test^2=0.997) showed high predictive accuracy for the inhibitory activity. It was found that the selected descriptors have the major roles in interpretation of biological activities of the compounds.","PeriodicalId":14624,"journal":{"name":"Iranian Chemical Communication","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2017-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83608107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-11-22DOI: 10.33945/SAMI/ECC.2019.1.5
M. Oftadeh, Fahad Hajati, Mortaza Jamshidi, H. J. Naghash
(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.
{"title":"Study of structure and thermal properties of styrene-butylacrylate copolymer with OMMT nanocomposite emulsions","authors":"M. Oftadeh, Fahad Hajati, Mortaza Jamshidi, H. J. Naghash","doi":"10.33945/SAMI/ECC.2019.1.5","DOIUrl":"https://doi.org/10.33945/SAMI/ECC.2019.1.5","url":null,"abstract":"(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. ","PeriodicalId":14624,"journal":{"name":"Iranian Chemical Communication","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2017-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85698643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2017-11-07DOI: 10.33945/SAMI/ECC.2019.1.3
S. Ershad, Razieh Mofidi Rasi
The redox properties of sulfite ion has been examind using cyclic voltammetry in acetonitrile solvent at the surface of gold, pelatin and glassy carbon electrodes. It has bben found tha, sulfite ion exhibits two electron oxidation peak with EC’ mechanism. A novel chemically modified electrode containing Prussian blue complex and multi wall carbon nanotubes (MWCNs) was achieved on the surface of glassy carbon electrode by sol-gel technique. The electrochemical behavior of modified electrode was characterized by cyclic voltammetry in detail. The film electrode obtained was very stable and exhibited electrocatalytic response for oxidation of sulfite. Results showed at bare GC electrode, a small oxidation peak current was observed at about 0.663mV and a well-formed sharp catalytic oxidation peak was observed at Prussian blue complex modified electrode. The transfer coefficient (α) for electrocatalytic oxidation of sulfite and the diffusion coefficient of this substance under the experimental conditions were also investigated.
{"title":"Electrocatalytic oxidation of sulfite Ion at the surface carbon ceramic modified electrode with prussian blue","authors":"S. Ershad, Razieh Mofidi Rasi","doi":"10.33945/SAMI/ECC.2019.1.3","DOIUrl":"https://doi.org/10.33945/SAMI/ECC.2019.1.3","url":null,"abstract":"The redox properties of sulfite ion has been examind using cyclic voltammetry in acetonitrile solvent at the surface of gold, pelatin and glassy carbon electrodes. It has bben found tha, sulfite ion exhibits two electron oxidation peak with EC’ mechanism. A novel chemically modified electrode containing Prussian blue complex and multi wall carbon nanotubes (MWCNs) was achieved on the surface of glassy carbon electrode by sol-gel technique. The electrochemical behavior of modified electrode was characterized by cyclic voltammetry in detail. The film electrode obtained was very stable and exhibited electrocatalytic response for oxidation of sulfite. Results showed at bare GC electrode, a small oxidation peak current was observed at about 0.663mV and a well-formed sharp catalytic oxidation peak was observed at Prussian blue complex modified electrode. The transfer coefficient (α) for electrocatalytic oxidation of sulfite and the diffusion coefficient of this substance under the experimental conditions were also investigated.","PeriodicalId":14624,"journal":{"name":"Iranian Chemical Communication","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2017-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78441439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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