Iranian Chemical Communication最新文献

Preparing hierarchical nanoporous ZSM-5 zeolite via post-synthetic modification of zeolite synthesized from bagasse and its application for removal of Pb2+ 甘蔗渣分子筛合成后改性制备分级纳米多孔ZSM-5分子筛及其去除Pb2+的应用

Iranian Chemical Communication Pub Date : 2018-10-01 DOI: 10.33945/SAMI/ECC.2019.1.2

S. N. Azizi, S. Rostami, N. Asemi

{"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}

引用次数: 0

A comparative QSAR study of aryl-substituted isobenzofuran-1(3H)-ones inhibitors 芳基取代异苯并呋喃-1(3H)- 1抑制剂的QSAR比较研究

Iranian Chemical Communication Pub Date : 2017-12-12 DOI: 10.33945/SAMI/ECC.2019.1.7

Z. Rostami, E. Pourbasheer

{"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}

引用次数: 1

Study of structure and thermal properties of styrene-butylacrylate copolymer with OMMT nanocomposite emulsions 苯乙烯-丁丙酸酯共聚物与OMMT纳米复合乳液的结构和热性能研究

Iranian Chemical Communication Pub Date : 2017-11-22 DOI: 10.33945/SAMI/ECC.2019.1.5

M. Oftadeh, Fahad Hajati, Mortaza Jamshidi, H. J. Naghash

引用次数: 1

Electrocatalytic oxidation of sulfite Ion at the surface carbon ceramic modified electrode with prussian blue 亚硫酸盐离子在普鲁士蓝表面碳陶瓷修饰电极上的电催化氧化

Iranian Chemical Communication Pub Date : 2017-11-07 DOI: 10.33945/SAMI/ECC.2019.1.3

S. Ershad, Razieh Mofidi Rasi

引用次数: 15