Pub Date : 2021-07-07DOI: 10.30492/IJCCE.2021.127412.4123
A. Nath, Anamica Mishra, R. Shankar, P. P. Pande
Two samples of lactose xanthates (LX1 and LX2) have been synthesized by the reaction of lactose (La), and carbon disulphides (CS2) in basic medium using NaOH/KOH. The synthesized products were extracted with diethyl ether and dried in air resulting in the formation of yellow coloured liquid products. The formation of synthesized xanthates has been confirmed by FT-IR (IR) spectroscopy and elemental analysis. The synthesized xanthates were utilised for the removal of heavy metal (CuII and NiII) ions and turbidity from wastewater. It was found that, LX1, LX2 and pure lactose (La) removes 94.9%, 95.4%, 93.8%, &95.4%, 73.3%, 70.98% of CuII and NiII respectively. These results show improved metals and turbidity removal with LX1, LX2 in comparison to many other coagulants reported in literature.
{"title":"Synthesis of Disaccharide based Xanthates for the Removal of Some Heavy Metals from Aqueous Solutions","authors":"A. Nath, Anamica Mishra, R. Shankar, P. P. Pande","doi":"10.30492/IJCCE.2021.127412.4123","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.127412.4123","url":null,"abstract":"Two samples of lactose xanthates (LX1 and LX2) have been synthesized by the reaction of lactose (La), and carbon disulphides (CS2) in basic medium using NaOH/KOH. The synthesized products were extracted with diethyl ether and dried in air resulting in the formation of yellow coloured liquid products. The formation of synthesized xanthates has been confirmed by FT-IR (IR) spectroscopy and elemental analysis. The synthesized xanthates were utilised for the removal of heavy metal (CuII and NiII) ions and turbidity from wastewater. It was found that, LX1, LX2 and pure lactose (La) removes 94.9%, 95.4%, 93.8%, &95.4%, 73.3%, 70.98% of CuII and NiII respectively. These results show improved metals and turbidity removal with LX1, LX2 in comparison to many other coagulants reported in literature.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"6 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79035356","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-07DOI: 10.30492/IJCCE.2021.122472.4001
M. Al-Mashhadani, Y. Lye, N. Salih, J. Salimon, E. Yousif
Argentation column chromatography is a method used for separating similar molecules such as fatty acids which have a slightly different in stereochemistry. In this study, silver nitrate-impregnated silica gel was used as the adsorbent to isolate and purify Jatropha curcas oil fatty acids mixtures. The effects of silica gel, silver nitrate, adsorbent quantity and fatty acid quantity on the purity and recovery percentage as well as ratio of linoleic acid to oleic acid were investigated. The results showed that at optimal condition of purification, the purity of linoleic acid increased from 38.4% to 78.7%. In the isolation process, linoleic acid adsorbed most strongly on the AgNO3/SiO2 adsorbent followed by oleic acid due to greater number of double bond and high ability to form polar charge-transfer complexes.
{"title":"Isolation of Jatropha curcas Oil Based Linoleic Acid By Using Argentation Column Chromatography","authors":"M. Al-Mashhadani, Y. Lye, N. Salih, J. Salimon, E. Yousif","doi":"10.30492/IJCCE.2021.122472.4001","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.122472.4001","url":null,"abstract":"Argentation column chromatography is a method used for separating similar molecules such as fatty acids which have a slightly different in stereochemistry. In this study, silver nitrate-impregnated silica gel was used as the adsorbent to isolate and purify Jatropha curcas oil fatty acids mixtures. The effects of silica gel, silver nitrate, adsorbent quantity and fatty acid quantity on the purity and recovery percentage as well as ratio of linoleic acid to oleic acid were investigated. The results showed that at optimal condition of purification, the purity of linoleic acid increased from 38.4% to 78.7%. In the isolation process, linoleic acid adsorbed most strongly on the AgNO3/SiO2 adsorbent followed by oleic acid due to greater number of double bond and high ability to form polar charge-transfer complexes.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"33 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89319700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-07DOI: 10.30492/IJCCE.2021.136685.4338
M. Huber, Dorota Moroniak-Wawryszuk, Lesia Lata
The aim of this study is to show purpose of roughcast analysis as a new useful tool for research of the condition of the environment. Samples of roughcast were collected from buildings in 6 different cities of Europe (Cracow, Lublin, Warsaw, Lviv, Monchegorsk and Murmansk) and their compositions were examined with scanning electron microscope, ICP-OAS and ASA methods. Also, binocular magnifier was used. The samples were investigated for heavy metals presence. The result shows that despite the deposition of particles is bigger on horizontal surface, the vertical layer of roughcast accumulate significant amounts of impurities and heavy metals. The composition and content of metals differ accordingly to automotive traffic nowadays and in the past, existence of road hubs, industrial districts and historical manufactures. Samples from Cracow show high content of non-ferrous metals and nickel, whereas content of copper was significantly higher in Monchegorsk. In Lublin and Lviv, their agricultural past contributed to significantly lower heavy metal content Determination of heavy metals contents in roughcast can be used to evaluate anthropogenic impact in the cities through the years and to help to protect cities’ population from negative consequences of living in urban areas.
{"title":"Roughcast analysis as a new method of environmental research","authors":"M. Huber, Dorota Moroniak-Wawryszuk, Lesia Lata","doi":"10.30492/IJCCE.2021.136685.4338","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.136685.4338","url":null,"abstract":"The aim of this study is to show purpose of roughcast analysis as a new useful tool for research of the condition of the environment. Samples of roughcast were collected from buildings in 6 different cities of Europe (Cracow, Lublin, Warsaw, Lviv, Monchegorsk and Murmansk) and their compositions were examined with scanning electron microscope, ICP-OAS and ASA methods. Also, binocular magnifier was used. The samples were investigated for heavy metals presence. The result shows that despite the deposition of particles is bigger on horizontal surface, the vertical layer of roughcast accumulate significant amounts of impurities and heavy metals. The composition and content of metals differ accordingly to automotive traffic nowadays and in the past, existence of road hubs, industrial districts and historical manufactures. Samples from Cracow show high content of non-ferrous metals and nickel, whereas content of copper was significantly higher in Monchegorsk. In Lublin and Lviv, their agricultural past contributed to significantly lower heavy metal content Determination of heavy metals contents in roughcast can be used to evaluate anthropogenic impact in the cities through the years and to help to protect cities’ population from negative consequences of living in urban areas.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"13 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81187502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-07DOI: 10.30492/IJCCE.2021.529010.4694
Xianyao Ma, Zhang Kexin, W. Yong-gang, A. Ebadi, Mohsen Toughani
To obtain the optimum fermentation medium and circumstances for extracellular lipase construction (as an important biocatalyst and promising industrial enzyme) by Aspergillus Niger, the fermentation conditions of Aspergillus Niger were optimized by single factor and response surface design, the enzymatic properties of the crude enzyme were studied. The results displayed that the optimum fermentation medium was soluble starch 4%, (NH4)2SO4 0.1%, K2HPO4 0.1%, MgSO4·7H2O 0.05%, peptone 3%, olive oil 1.05% and initial pH 7. The optimal fermentation conditions were 30℃, the sample size was 26 mL/250 mL and the shaking speed was 213 r/min. The optimized lipase activity was 1.55 U/mL, which was 7.75 times of the pre-optimized lipase. It was found that when the pH value of lipase was 7.0, the activity of lipase reached its maximum value of 79.3±6.82%. When pH value was between 6.0 and 8.0, the activity of lipase could be kept above 60% and the stability was good. At the same time, through temperature stability of lipase, found that the lipase was stable at 25℃- 35℃, its activity could reach more than 70%. When activity of enzyme reaches to maximum 107.6±9.57%, the temperature was 30℃.
{"title":"Investigation of low-temperature lipase production and enzymatic properties of Aspergillus Niger","authors":"Xianyao Ma, Zhang Kexin, W. Yong-gang, A. Ebadi, Mohsen Toughani","doi":"10.30492/IJCCE.2021.529010.4694","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.529010.4694","url":null,"abstract":"To obtain the optimum fermentation medium and circumstances for extracellular lipase construction (as an important biocatalyst and promising industrial enzyme) by Aspergillus Niger, the fermentation conditions of Aspergillus Niger were optimized by single factor and response surface design, the enzymatic properties of the crude enzyme were studied. The results displayed that the optimum fermentation medium was soluble starch 4%, (NH4)2SO4 0.1%, K2HPO4 0.1%, MgSO4·7H2O 0.05%, peptone 3%, olive oil 1.05% and initial pH 7. The optimal fermentation conditions were 30℃, the sample size was 26 mL/250 mL and the shaking speed was 213 r/min. The optimized lipase activity was 1.55 U/mL, which was 7.75 times of the pre-optimized lipase. It was found that when the pH value of lipase was 7.0, the activity of lipase reached its maximum value of 79.3±6.82%. When pH value was between 6.0 and 8.0, the activity of lipase could be kept above 60% and the stability was good. At the same time, through temperature stability of lipase, found that the lipase was stable at 25℃- 35℃, its activity could reach more than 70%. When activity of enzyme reaches to maximum 107.6±9.57%, the temperature was 30℃.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"48 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88041916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-07DOI: 10.30492/IJCCE.2021.523029.4523
S. Hussien, T. Ali, S. M. Abdel‐kariem
In this paper, the structure optimized and calculations electronic properties for the studied of two compounds which are 2 is Diethyl {5-[(2-hydroxy-5-methyl phenyl) carbonyl]-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl} - phosphonate (2), compound 4 is Diethyl {6-amino-1-(4-chlorophenyl)-5-cyano-3-[(2-hydroxy-5-methyl phenyl)carbonyl]-1,2-dihydropyridin-2-yl]}phosphonate (4) have been performed by using to DFT the method at the B3LYP/6-311++G (d, p) theory level. UV-Vis spectra, in both methanol and dioxane solvents, have been employed for two compounds 2 and 4 by density functional time-dependent theory (TD-DFT) calculations at the same level of calculation. The method of Coulomb-attenuating (CAM-B3LYP) and Corrected Linear Response Polarizable Continuum Model (CLR) PCM studied for theoretically obtaining the absorption electronic spectra in the gas phase, methanol, and dioxane, respectively; indicate a good agreement with the observed spectra and FT-IR, vibrational spectra were calculated. The GIAO method calculated the 1H and 13C NMR chemical shifts theoretically values which reflect better coincidence with the experimental chemical shifts. The dihedral angles result of calculations show that two compounds 2 and 4 are non-planar. The stability of the two compounds 2 and 4, the hyper conjugative interactions, the delocalization of the atomic charges were analyzed with the Natural Orbital Bond analysis (NBO). The relocation of electronic density and the electronic structures were discussed. Studied functional density local descriptors, (MEP) Molecular Electrostatic Potential, molecular border orbitals, and absorption spectral. Analysis of the global descriptors revealed that compound 4 is the most reactive with an energy difference between the border orbital of ΔEgap = 3.605 eV. Furthermore, this compound 4 is the less stable, the softest, and has the greatest electronic exchange capacity of the other compound 2 studied. Studied by DFT calculations (SAR) structure-activity relationship and contacted with practical antimicrobial results for compounds 2 and 4.
{"title":"Synthesis, DFT Calculations to investigate the Structure Electronic, Absorption Electronic Spectra, Antimicrobial Activity Application, and Non-Linear Optical Analysis of Pyridinyl and Pyrimidinyl Phosphonates Schemes","authors":"S. Hussien, T. Ali, S. M. Abdel‐kariem","doi":"10.30492/IJCCE.2021.523029.4523","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.523029.4523","url":null,"abstract":"In this paper, the structure optimized and calculations electronic properties for the studied of two compounds which are 2 is Diethyl {5-[(2-hydroxy-5-methyl phenyl) carbonyl]-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl} - phosphonate (2), compound 4 is Diethyl {6-amino-1-(4-chlorophenyl)-5-cyano-3-[(2-hydroxy-5-methyl phenyl)carbonyl]-1,2-dihydropyridin-2-yl]}phosphonate (4) have been performed by using to DFT the method at the B3LYP/6-311++G (d, p) theory level. UV-Vis spectra, in both methanol and dioxane solvents, have been employed for two compounds 2 and 4 by density functional time-dependent theory (TD-DFT) calculations at the same level of calculation. The method of Coulomb-attenuating (CAM-B3LYP) and Corrected Linear Response Polarizable Continuum Model (CLR) PCM studied for theoretically obtaining the absorption electronic spectra in the gas phase, methanol, and dioxane, respectively; indicate a good agreement with the observed spectra and FT-IR, vibrational spectra were calculated. The GIAO method calculated the 1H and 13C NMR chemical shifts theoretically values which reflect better coincidence with the experimental chemical shifts. The dihedral angles result of calculations show that two compounds 2 and 4 are non-planar. The stability of the two compounds 2 and 4, the hyper conjugative interactions, the delocalization of the atomic charges were analyzed with the Natural Orbital Bond analysis (NBO). The relocation of electronic density and the electronic structures were discussed. Studied functional density local descriptors, (MEP) Molecular Electrostatic Potential, molecular border orbitals, and absorption spectral. Analysis of the global descriptors revealed that compound 4 is the most reactive with an energy difference between the border orbital of ΔEgap = 3.605 eV. Furthermore, this compound 4 is the less stable, the softest, and has the greatest electronic exchange capacity of the other compound 2 studied. Studied by DFT calculations (SAR) structure-activity relationship and contacted with practical antimicrobial results for compounds 2 and 4.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"1 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84786733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-07DOI: 10.30492/IJCCE.2021.137879.4377
P. Ghosh, D. Ghime, Titikshya Mohapatra, S. Dharmadhikari, Neelam Sonwani, Saket Pradhan
This study was aimed at the development of the ZnO/bone-char (ZnO/BC) hybrid composite and it was characterized for its suitability for the treatment of dye-containing wastewater. The Zn/BC composites were prepared using four different methods such as sol-gel, precipitation, hydrothermal and wet-impregnation methods. Various analysing techniques such as X-ray diffraction (XRD), Fourier Transform Infra-red (FT-IR), Brunauer-Emmett-Teller (BET) surface area and Scanning Electron Microscopy (SEM) were performed to characterize the prepared photocatalysts. The photocatalytic activity of the ZnO/BC composite prepared from the sol-gel method was evaluated by the decolorization of brilliant green dye in aqueous solution. The results of SEM analysis confirm the agglomeration of nano-ZnO particles and particles are evenly distributed on the surface of the bone char. Moreover, the influence of different experimental parameters like solution pH, H2O2 concentration and photocatalyst dosage was studied to optimize the process efficiency. This study also shows that the chicken bone waste can be used as a photocatalyst carrier for the synthesis of photocatalytic composites. It does not only provide a better way to treat dye-containing wastewater, but also offers an ideal solution to use chicken bone waste. From the kinetic analysis, it has been observed that the photocatalytic decolorization of BG dye with ZnO/BC photocatalyst follows pseudo-first-order kinetics.
{"title":"ZnO/bone-char hybrid composite: Catalyst preparation, characterization and its application","authors":"P. Ghosh, D. Ghime, Titikshya Mohapatra, S. Dharmadhikari, Neelam Sonwani, Saket Pradhan","doi":"10.30492/IJCCE.2021.137879.4377","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.137879.4377","url":null,"abstract":"This study was aimed at the development of the ZnO/bone-char (ZnO/BC) hybrid composite and it was characterized for its suitability for the treatment of dye-containing wastewater. The Zn/BC composites were prepared using four different methods such as sol-gel, precipitation, hydrothermal and wet-impregnation methods. Various analysing techniques such as X-ray diffraction (XRD), Fourier Transform Infra-red (FT-IR), Brunauer-Emmett-Teller (BET) surface area and Scanning Electron Microscopy (SEM) were performed to characterize the prepared photocatalysts. The photocatalytic activity of the ZnO/BC composite prepared from the sol-gel method was evaluated by the decolorization of brilliant green dye in aqueous solution. The results of SEM analysis confirm the agglomeration of nano-ZnO particles and particles are evenly distributed on the surface of the bone char. Moreover, the influence of different experimental parameters like solution pH, H2O2 concentration and photocatalyst dosage was studied to optimize the process efficiency. This study also shows that the chicken bone waste can be used as a photocatalyst carrier for the synthesis of photocatalytic composites. It does not only provide a better way to treat dye-containing wastewater, but also offers an ideal solution to use chicken bone waste. From the kinetic analysis, it has been observed that the photocatalytic decolorization of BG dye with ZnO/BC photocatalyst follows pseudo-first-order kinetics.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"8 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85993774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-07DOI: 10.30492/IJCCE.2021.122812.4018
Trari Mohamed, Salah Asma, Bensmaili Aicha, Lemdani Safia
Contamination in wastewater is a major issue in the present world, the Disperse blue 3 dye (DB3) removal was studied by an electro coagulation process using Al and Fe electrodes. The experiments were performed with synthetic solutions in batch mode. The effect of the operating parameters like the electrolysis time, current density, initial pH, conductivity, inter-electrode distance and initial dye concentration, has been investigated. The results show high discoloration efficiency, reaching 98 and 96% with Al and Fe electrodes respectively. At the optimum condition of the EC process were electrolysis times of 70 and 30 min, current densities of 139 and 93 mA/cm², initial pH 5, conductivity of 5.67 mS/cm and inter-electrode distance of 1.5 cm. The Artificial Neural Network (ANN) technique was used to model the experimental data of the current density. The feed-forward neural network model was optimized by using the Levenberg-Marquardt algorithms. A comparison between the predicted and experimental data gave high correlation coefficients (0.99977 and 1) with the minimum MSE value (1.55.10-7 and 1.31.10-5) respectively for Al and Fe electrodes.
{"title":"Decolourization of Disperse Blue 3 Dye by Electro coagulation process using Al and Fe electrodes –Application of the Artificial Neural Network Model","authors":"Trari Mohamed, Salah Asma, Bensmaili Aicha, Lemdani Safia","doi":"10.30492/IJCCE.2021.122812.4018","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.122812.4018","url":null,"abstract":"Contamination in wastewater is a major issue in the present world, the Disperse blue 3 dye (DB3) removal was studied by an electro coagulation process using Al and Fe electrodes. The experiments were performed with synthetic solutions in batch mode. The effect of the operating parameters like the electrolysis time, current density, initial pH, conductivity, inter-electrode distance and initial dye concentration, has been investigated. The results show high discoloration efficiency, reaching 98 and 96% with Al and Fe electrodes respectively. At the optimum condition of the EC process were electrolysis times of 70 and 30 min, current densities of 139 and 93 mA/cm², initial pH 5, conductivity of 5.67 mS/cm and inter-electrode distance of 1.5 cm. The Artificial Neural Network (ANN) technique was used to model the experimental data of the current density. The feed-forward neural network model was optimized by using the Levenberg-Marquardt algorithms. A comparison between the predicted and experimental data gave high correlation coefficients (0.99977 and 1) with the minimum MSE value (1.55.10-7 and 1.31.10-5) respectively for Al and Fe electrodes.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"38 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73060489","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-07DOI: 10.30492/IJCCE.2021.522311.4507
S. Gul, Atya Hassan, T. Mahmood, F. Khan, S. Hassan, Quratulain Qadeer
Normodyne is the brand name of Labetalol. It has medicinal importance and well known antihypertensive drug and given to the patient in the severe hypertension condition. It is two-fold alpha and beta adrenergic antagonism and has dissimilar physiological effects in acute condition of high blood pressure. Various techniques were used to elaborate the qualitative behavior of this drug. In present work, Cyclic Voltammetry (CV) is used to determine the qualitative characteristics of Labetalol. The Glassy Carbon Electrode (GCE) is used as a working and Calomel as a reference electrode with supporting electrolyte (0.1M NaOH) at 30±1oC. In case of GCE, single anodic peak is observed which indicate that this drug showed irreversible process with transfer of one electron in the selected medium. In addition, different electrochemical parameters are also calculated including, peak current (Ip), peak potential (Ep), half peak potential (Ep/2), differential peak potential ΔEp = (Epa – Ep/2), transfer coefficient (α), diffusion coefficient (D), formal potential (Eo), heterogeneous rate constant (Ko), and Gibbs free energy (∆G). Furthermore, adsorption process is also studied. For comparative study, computational methods are employed for finding HOMO-LUMO energies and vibrational frequencies of Labetalol molecule. Both methods, electrochemical and computational are in good agreement and validate irreversible oxidation of Labetalol. This study has not been reported before and it is useful for pharmaceutical industry.
{"title":"A Comparative Study of Labetalol via Electrochemical and Computational Methods","authors":"S. Gul, Atya Hassan, T. Mahmood, F. Khan, S. Hassan, Quratulain Qadeer","doi":"10.30492/IJCCE.2021.522311.4507","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.522311.4507","url":null,"abstract":"Normodyne is the brand name of Labetalol. It has medicinal importance and well known antihypertensive drug and given to the patient in the severe hypertension condition. It is two-fold alpha and beta adrenergic antagonism and has dissimilar physiological effects in acute condition of high blood pressure. Various techniques were used to elaborate the qualitative behavior of this drug. In present work, Cyclic Voltammetry (CV) is used to determine the qualitative characteristics of Labetalol. The Glassy Carbon Electrode (GCE) is used as a working and Calomel as a reference electrode with supporting electrolyte (0.1M NaOH) at 30±1oC. In case of GCE, single anodic peak is observed which indicate that this drug showed irreversible process with transfer of one electron in the selected medium. In addition, different electrochemical parameters are also calculated including, peak current (Ip), peak potential (Ep), half peak potential (Ep/2), differential peak potential ΔEp = (Epa – Ep/2), transfer coefficient (α), diffusion coefficient (D), formal potential (Eo), heterogeneous rate constant (Ko), and Gibbs free energy (∆G). Furthermore, adsorption process is also studied. For comparative study, computational methods are employed for finding HOMO-LUMO energies and vibrational frequencies of Labetalol molecule. Both methods, electrochemical and computational are in good agreement and validate irreversible oxidation of Labetalol. This study has not been reported before and it is useful for pharmaceutical industry.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"41 1 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89155817","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-05DOI: 10.30492/IJCCE.2021.139841.4428
M. Chegeni, Mehrnoosh Enjedani
In this work, the removal of calcium (Ca2+) and magnesium (Mg2+) ions were studied using graphitic carbon nitride (g-C3N4) nanosheet as an adsorbent from aqueous solutions. In experimental studies, the effects of various adsorption parameters were investigated by batch method culture including pH, initial Ca2+ and Mg2+ concentrations, temperature, time, and adsorbent mass. The best results were obtained at pH=8.50, 0.05 g of g-C3N4, 90 min, 10 ppm of ion concentration, 23.80 mg g-1 of maximum adsorption capacity for Ca2+, and pH=9, 0.05 g of g-C3N4, 60 min, 15 ppm of ion concentration, 40.00 mg g-1 maximum adsorption capacity for Mg2+ ion. The adsorption of calcium and magnesium ions obeyed the Langmuir model on adsorbent. In theoretical study, g-C3N4 nanosheet as an interesting material was studied by first-principle calculation using the Quantum Espresso package. The Ca2+ and Mg2+ ions were located at different positions on g-C3N4 nanosheet to obtain the stable configuration. The Eads, HOMO, LUMO, Eg, band structure, DOS and PDOS plots were investigated at stable configuration of g-C3N4 nanosheet. The adsorption energy (Eads) was calculated -15.55 and -26.24 eV for Ca2+ and Mg2+ ions, respectively. Further, the results indicated that Mg2+can be located at the center of the porous g-C3N4 nanosheet, which the adsorption of Mg2+ on surface of g-C3N4 nanosheet was stronger than that of Ca2+ ion. Theoretical and experimental data confirmed each other’s findings. The adsorption of Ca2+ and Mg2+ ions was shown to be simple, high-yield, eco-friendly, and economical performance from aqueous solutions using g-C3N4 nanosheet
{"title":"Graphitic carbon nitride nanosheet as an excellent compound for the adsorption of calcium and magnesium ions: theoretical and experimental studies","authors":"M. Chegeni, Mehrnoosh Enjedani","doi":"10.30492/IJCCE.2021.139841.4428","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.139841.4428","url":null,"abstract":"In this work, the removal of calcium (Ca2+) and magnesium (Mg2+) ions were studied using graphitic carbon nitride (g-C3N4) nanosheet as an adsorbent from aqueous solutions. In experimental studies, the effects of various adsorption parameters were investigated by batch method culture including pH, initial Ca2+ and Mg2+ concentrations, temperature, time, and adsorbent mass. The best results were obtained at pH=8.50, 0.05 g of g-C3N4, 90 min, 10 ppm of ion concentration, 23.80 mg g-1 of maximum adsorption capacity for Ca2+, and pH=9, 0.05 g of g-C3N4, 60 min, 15 ppm of ion concentration, 40.00 mg g-1 maximum adsorption capacity for Mg2+ ion. The adsorption of calcium and magnesium ions obeyed the Langmuir model on adsorbent. In theoretical study, g-C3N4 nanosheet as an interesting material was studied by first-principle calculation using the Quantum Espresso package. The Ca2+ and Mg2+ ions were located at different positions on g-C3N4 nanosheet to obtain the stable configuration. The Eads, HOMO, LUMO, Eg, band structure, DOS and PDOS plots were investigated at stable configuration of g-C3N4 nanosheet. The adsorption energy (Eads) was calculated -15.55 and -26.24 eV for Ca2+ and Mg2+ ions, respectively. Further, the results indicated that Mg2+can be located at the center of the porous g-C3N4 nanosheet, which the adsorption of Mg2+ on surface of g-C3N4 nanosheet was stronger than that of Ca2+ ion. Theoretical and experimental data confirmed each other’s findings. The adsorption of Ca2+ and Mg2+ ions was shown to be simple, high-yield, eco-friendly, and economical performance from aqueous solutions using g-C3N4 nanosheet","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"56 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82836930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-05DOI: 10.30492/IJCCE.2021.131568.4248
A. Ghayebloo, M. Yousefi, Koosha Akbari
The cement industry is one of the major industries in every country. This industry is the driving force behind the development of a nation. The heart of this industry is the rotary kiln. One of the significant concerns about a rotary kiln is forming a cover of molten materials on the kiln's inner wall called coating. The low thickness of this coating cause burns to the wall refractory bricks and heavy damage to the kiln, while its high thickness reduces the production volume and quality of products. Currently, the kilns are checked by experienced technicians for empirical coating estimation. This paper aims to identify the thickness of the coating for the automatic control purpose of the kiln. The identification problem of coating thickness is based on thermal resistances in different layers of the kiln and heat transfer equations between these layers. For this purpose, the linear and nonlinear identification methods such as Ordinary Least Squares (OLS), Recursive Least Squares (RLS), global search method, and genetic algorithm are used. The coating can be identified in the proposed identification approach by having the kiln's ambient and internal solid temperature profiles. The raw data for the identification process has been extracted by Finite Element Analysis (FEA) for a given solid temperature profile along with the kiln and different kiln coating thicknesses. The modeling and simulations carried out in this paper show that the identification methods were able to determine the amount of coating with acceptable errors depending on the method.
{"title":"Identification of Coating Thickness in Cement Rotary Kiln","authors":"A. Ghayebloo, M. Yousefi, Koosha Akbari","doi":"10.30492/IJCCE.2021.131568.4248","DOIUrl":"https://doi.org/10.30492/IJCCE.2021.131568.4248","url":null,"abstract":"The cement industry is one of the major industries in every country. This industry is the driving force behind the development of a nation. The heart of this industry is the rotary kiln. One of the significant concerns about a rotary kiln is forming a cover of molten materials on the kiln's inner wall called coating. The low thickness of this coating cause burns to the wall refractory bricks and heavy damage to the kiln, while its high thickness reduces the production volume and quality of products. Currently, the kilns are checked by experienced technicians for empirical coating estimation. This paper aims to identify the thickness of the coating for the automatic control purpose of the kiln. The identification problem of coating thickness is based on thermal resistances in different layers of the kiln and heat transfer equations between these layers. For this purpose, the linear and nonlinear identification methods such as Ordinary Least Squares (OLS), Recursive Least Squares (RLS), global search method, and genetic algorithm are used. The coating can be identified in the proposed identification approach by having the kiln's ambient and internal solid temperature profiles. The raw data for the identification process has been extracted by Finite Element Analysis (FEA) for a given solid temperature profile along with the kiln and different kiln coating thicknesses. The modeling and simulations carried out in this paper show that the identification methods were able to determine the amount of coating with acceptable errors depending on the method.","PeriodicalId":14572,"journal":{"name":"Iranian Journal of Chemistry & Chemical Engineering-international English Edition","volume":"37 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2021-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73310750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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