Pub Date : 2021-03-04DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I2.21931
H. E. Hadki
Abstract Emergence and spread of corona virus disease 2019 (COVID-19), caused by severe respiratory syndrome coronavirus, is considered a public health emergency threatening global health systems, as of June, 2020, It caused a cumulative total of 9,033,423 confirmed cases and more than 469,539 deaths across 215 countries, person to-person transmission has being identified as the route for spreading. So far, the lack of effective vaccines for the treatment or prevention of Covid-19 has further worsened the situation. In this context, the present study aims to assess whether naturally occurring components have an antiviral effect via a computational modeling approach. Density Functional theory (DFT) was performed to estimate the kinetic parameters, frontier molecular orbitals, molecular electrostatic potential as well as chemical reactivity descriptors of various ligands. The results revealed that Crocin and Digitoxigenin exhibited a potential applicant with the lowest resistance to electronic charge transfer with a chemical hardness of 2.19eV and 2.96eV respectively, as well as the lowest HOMO-LUMO difference. In addition to the DFT calculation, a docking simulation study was conducted on the SARS-CoV-2 base protease (PDB: 6LU7) to determine the binding affinity of ligands. The findings show that Crocin exhibits the lowest binding energy of -8.1 Kcal/mol and may be a good inhibitor of CoV-2-SARS compared to hydroxychloroquine and chloroquine, which have a binding affinity of -5.4 and -4.9 Kcal/mol, respectively. The high binding affinity of L3 was assigned to the existence of 14 hydrogen bonds connecting the ligand to the critical amino acid residues of the receptor.
{"title":"DFT and Molecular docking study of natural molecules proposed for COVID-19 treatment","authors":"H. E. Hadki","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I2.21931","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I2.21931","url":null,"abstract":"Abstract Emergence and spread of corona virus disease 2019 (COVID-19), caused by severe respiratory syndrome coronavirus, is considered a public health emergency threatening global health systems, as of June, 2020, It caused a cumulative total of 9,033,423 confirmed cases and more than 469,539 deaths across 215 countries, person to-person transmission has being identified as the route for spreading. So far, the lack of effective vaccines for the treatment or prevention of Covid-19 has further worsened the situation. In this context, the present study aims to assess whether naturally occurring components have an antiviral effect via a computational modeling approach. Density Functional theory (DFT) was performed to estimate the kinetic parameters, frontier molecular orbitals, molecular electrostatic potential as well as chemical reactivity descriptors of various ligands. The results revealed that Crocin and Digitoxigenin exhibited a potential applicant with the lowest resistance to electronic charge transfer with a chemical hardness of 2.19eV and 2.96eV respectively, as well as the lowest HOMO-LUMO difference. In addition to the DFT calculation, a docking simulation study was conducted on the SARS-CoV-2 base protease (PDB: 6LU7) to determine the binding affinity of ligands. The findings show that Crocin exhibits the lowest binding energy of -8.1 Kcal/mol and may be a good inhibitor of CoV-2-SARS compared to hydroxychloroquine and chloroquine, which have a binding affinity of -5.4 and -4.9 Kcal/mol, respectively. The high binding affinity of L3 was assigned to the existence of 14 hydrogen bonds connecting the ligand to the critical amino acid residues of the receptor.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45426878","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 : 2021-02-18DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I1.25140
M. Ennouhi, S. E. Aggadi, L. Hasnaoui, M. Azzouzi, A. Hourch
The Khenifra desalination plant is designed to produce 36,290 m 3 /d of drinking water by 2030. Since the start-up of this plant in 2013, several problems have been encountered in the reverse osmosis unit due to membrane fouling. Clogging is a major issue related to the interaction between feed water quality and the pre-treatment process. Membrane autopsy, monitoring of seasonal variations in raw water and surveillance of operating parameters are carried out. The results obtained show that feed water is subject to large seasonal variations in terms of temperature (10 - 25 °C), conductivity (1395 - 2500 µS.cm -1 ) and Silt Density Index (SDI) (< 3) in 2017 using microfiltration, which influences the fouling of the membrane. Membrane autopsy by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS) and X-ray Diffraction (XRD), shows the formation of large cracks on the surface of the membrane and that the fouling layer is mainly composed of: CaCO 3 (38.70 %), Al 2 O 3 (17.42 %), Ba(SO 4 ) 2 (15.23 %), MgCl 2 (15.02 %) and SiO 2 (13.64%).
{"title":"Characterization of the reverse osmosis membrane fouled by Oum Errabia river water of Khenifra city, Morocco","authors":"M. Ennouhi, S. E. Aggadi, L. Hasnaoui, M. Azzouzi, A. Hourch","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I1.25140","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I1.25140","url":null,"abstract":"The Khenifra desalination plant is designed to produce 36,290 m 3 /d of drinking water by 2030. Since the start-up of this plant in 2013, several problems have been encountered in the reverse osmosis unit due to membrane fouling. Clogging is a major issue related to the interaction between feed water quality and the pre-treatment process. Membrane autopsy, monitoring of seasonal variations in raw water and surveillance of operating parameters are carried out. The results obtained show that feed water is subject to large seasonal variations in terms of temperature (10 - 25 °C), conductivity (1395 - 2500 µS.cm -1 ) and Silt Density Index (SDI) (< 3) in 2017 using microfiltration, which influences the fouling of the membrane. Membrane autopsy by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS) and X-ray Diffraction (XRD), shows the formation of large cracks on the surface of the membrane and that the fouling layer is mainly composed of: CaCO 3 (38.70 %), Al 2 O 3 (17.42 %), Ba(SO 4 ) 2 (15.23 %), MgCl 2 (15.02 %) and SiO 2 (13.64%).","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44190279","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 : 2021-02-16DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I2.23680
Kaouthar Andaloussi, H. Achtak, C. Nakhcha, K. Haboubi, M. Stitou
This study aims to assess, for the first time, soil Trace Metal Elements (TME) contamination level in an uncontrolled landfill and its vicinity of 'Targuist' (town in northern Morocco). Soil samples were collected at two depths (20 and 40cm) from 16 sampling sites. Samples were characterized for their physicochemical parameters (pH, electrical conductivity (EC), organic matter (OM) and total organic carbon (TOC)) and for their TME (copper (Cu), zinc (Zn), cadmium (Cd) and chromium (Cr)) using atomic absorption spectroscopy (ASS). The results show no significant differences between soils sampled at 20cm or 40cm depths regarding the tested parameters. While significant differences between sampling sites In landfill and Out landfill is observed particularly regarding pH, CaCO3, TOC, and Cd. Overall, our results show that soil physicochemical properties follow a spatial variability with decreasing values moving away from the landfill. Regarding TME soil contents, our results show contamination levels in most of the sampling sites of the study area. Furthermore, the total TME concentrations in soils vary according to the type of the studied metal and to the sampling site. Zn, Cu and Cd show significant positive correlations with pH. However, Cd has no correlation with any other trace elements or soil physicochemical properties. Meanwhile, Cr shows a significant negative correlation with Zn and Cu. OM, TOC, CaCO3 and EC are strongly and positively correlated. These results are well illustrated in the outcomes of the Principal Components Analysis and Hierarchical Cluster Analysis.
{"title":"Assessment of soil trace metal contamination of an uncontrolled landfill and its vicinity: the case of the city of ‘Targuist’ (Northern Morocco)","authors":"Kaouthar Andaloussi, H. Achtak, C. Nakhcha, K. Haboubi, M. Stitou","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I2.23680","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I2.23680","url":null,"abstract":"This study aims to assess, for the first time, soil Trace Metal Elements (TME) contamination level in an uncontrolled landfill and its vicinity of 'Targuist' (town in northern Morocco). Soil samples were collected at two depths (20 and 40cm) from 16 sampling sites. Samples were characterized for their physicochemical parameters (pH, electrical conductivity (EC), organic matter (OM) and total organic carbon (TOC)) and for their TME (copper (Cu), zinc (Zn), cadmium (Cd) and chromium (Cr)) using atomic absorption spectroscopy (ASS). The results show no significant differences between soils sampled at 20cm or 40cm depths regarding the tested parameters. While significant differences between sampling sites In landfill and Out landfill is observed particularly regarding pH, CaCO3, TOC, and Cd. Overall, our results show that soil physicochemical properties follow a spatial variability with decreasing values moving away from the landfill. Regarding TME soil contents, our results show contamination levels in most of the sampling sites of the study area. Furthermore, the total TME concentrations in soils vary according to the type of the studied metal and to the sampling site. Zn, Cu and Cd show significant positive correlations with pH. However, Cd has no correlation with any other trace elements or soil physicochemical properties. Meanwhile, Cr shows a significant negative correlation with Zn and Cu. OM, TOC, CaCO3 and EC are strongly and positively correlated. These results are well illustrated in the outcomes of the Principal Components Analysis and Hierarchical Cluster Analysis.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42957101","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 : 2021-02-14DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I1.20653
H. Yemendzhiev, R. Koleva, F. Zerrouq, V. Nenov
Olive oil production is a source of huge amount of residuals knowns as OMW (Olive Mill Waste). The sustainable management and treatment of this waste is challenging due to presence of high amount of specific pollutants. The OMW is characterized by very high COD to BOD ratio with considerable content of polyphenols reaching up to 15g/l. Due to this, the biological utilization of OMW could be hindered or very slow when the conventional aerobic and anaerobic methods are used. In this study, the Microbial Electrolysis Cell (MEC) technology was applied as an alternative treatment approach. The method offers COD reduction and energy recovering in the form of hydrogen. The results demonstrated up to 65% efficiency in terms of COD and polyphenols removal which suggest that MEC, could be considered as an initial treatment stage in OMW utilization.
{"title":"Utilization of Olive Mill Waste in Microbial Electrolysis Cell","authors":"H. Yemendzhiev, R. Koleva, F. Zerrouq, V. Nenov","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I1.20653","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I1.20653","url":null,"abstract":"Olive oil production is a source of huge amount of residuals knowns as OMW (Olive Mill Waste). The sustainable management and treatment of this waste is challenging due to presence of high amount of specific pollutants. The OMW is characterized by very high COD to BOD ratio with considerable content of polyphenols reaching up to 15g/l. Due to this, the biological utilization of OMW could be hindered or very slow when the conventional aerobic and anaerobic methods are used. In this study, the Microbial Electrolysis Cell (MEC) technology was applied as an alternative treatment approach. The method offers COD reduction and energy recovering in the form of hydrogen. The results demonstrated up to 65% efficiency in terms of COD and polyphenols removal which suggest that MEC, could be considered as an initial treatment stage in OMW utilization.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45430692","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 : 2021-02-14DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I1.24357
J. Touir, S. El-ghzizel, H. Belhamidi, F. Elazhar, M. Taky, A. Elmidaoui
Contamination of water with nitrates is a global problem that poses a serious threat to human health. In Morocco, a country characterized by limited water resources, groundwater accounts for almost 32% of total resources. However, 6% of these water resources are estimated to have nitrate levels greater than 50 mg / L, the level recommended by the world health organization for drinking water (WHO) and in some areas of high agricultural activity the nitrate content exceeds 250 mg / L. In the first part of this study, the efficiency of two commercial membranes, Reverse Osmosis and Nanofiltration membranes (Dow-FilmTec) is experimentally compared and assessed for nitrate removal by using real brackish water, containing 850-1100 mg/l of total dissolved solids (TDS) and 119-130 mg/l of nitrate. To accomplish this goal, the influence of operating conditions (pressure, recovery rate) on nitrate removal is discussed. The salt rejection from each membranes and the energy consumption are also calculated to choose the best membrane for nitrate removal and drinking water production. The pilot used in this study (supplied by the French company TIA) is an industrial pilot plant having two modules equipped with various spiral commercial membranes with an area of 7.6 m². The second part of this study estimates the total cost of the produced water by the application of the two studied membranes (NF and RO) for a plant of nitrate removal having a capacity of production of 2400 m 3 /d (100 m 3 /h) corresponding to a water consumption for 50000 capita following the Moroccan standards in rural medium. The design of the plant was carried out based on the experimental results from the first part of the study corresponding to a recovery rate of 83% and 10 bars of pressure. Technically and economically, the work shows that in this case, the NF process appears more suitable than the RO for nitrate removal.
{"title":"Nanofiltration and reverse osmosis membrane for nitrate removal: performance study and economic evaluation","authors":"J. Touir, S. El-ghzizel, H. Belhamidi, F. Elazhar, M. Taky, A. Elmidaoui","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I1.24357","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I1.24357","url":null,"abstract":"Contamination of water with nitrates is a global problem that poses a serious threat to human health. In Morocco, a country characterized by limited water resources, groundwater accounts for almost 32% of total resources. However, 6% of these water resources are estimated to have nitrate levels greater than 50 mg / L, the level recommended by the world health organization for drinking water (WHO) and in some areas of high agricultural activity the nitrate content exceeds 250 mg / L. In the first part of this study, the efficiency of two commercial membranes, Reverse Osmosis and Nanofiltration membranes (Dow-FilmTec) is experimentally compared and assessed for nitrate removal by using real brackish water, containing 850-1100 mg/l of total dissolved solids (TDS) and 119-130 mg/l of nitrate. To accomplish this goal, the influence of operating conditions (pressure, recovery rate) on nitrate removal is discussed. The salt rejection from each membranes and the energy consumption are also calculated to choose the best membrane for nitrate removal and drinking water production. The pilot used in this study (supplied by the French company TIA) is an industrial pilot plant having two modules equipped with various spiral commercial membranes with an area of 7.6 m². The second part of this study estimates the total cost of the produced water by the application of the two studied membranes (NF and RO) for a plant of nitrate removal having a capacity of production of 2400 m 3 /d (100 m 3 /h) corresponding to a water consumption for 50000 capita following the Moroccan standards in rural medium. The design of the plant was carried out based on the experimental results from the first part of the study corresponding to a recovery rate of 83% and 10 bars of pressure. Technically and economically, the work shows that in this case, the NF process appears more suitable than the RO for nitrate removal.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46461540","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 : 2021-02-14DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I2.20575
A. B. Umar
The resistance of melanoma cancer cells to the known treatments has become a barrier to the success of chemotherapy. In this research, a quantitative evaluation of the structure-activity relationship (QSAR) was carried out on 57 anti-cancer compounds and some selected potent compounds were screened through Lipinski’s rule and docked. Genetic function algorithm (GFA) was adopted in variables selection and Multiple linear regression (MLR) was used to generate the model. The built QSAR model showed good statistical parameters (( (0.904), (0.885), Q 2 cv (0.873) and (0.779)). The cR 2 P for Y-randomization is 0.749 and the applicability domain was also determined. The predictive ability of the model was found to be satisfactory and could be used to predict the anti-cancer activity of compounds on M19 MEL cell line. 4 most potent compounds were selected among the data set and screened through Lipinski's rule of five filters for oral bioavailability, ADMET risk filter for a drug like features. Later, V600E-BRAF, a known melanoma cancer target was used for docking. Based on the interaction energy and types of interactions involved, the selected compounds were identified as the best hits against V600E-BRAF. This research would help in the lead identification and design of novel drugs.
{"title":"In silico Studies of some potential anti-cancer agents on M19-MEL cell line","authors":"A. B. Umar","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I2.20575","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I2.20575","url":null,"abstract":"The resistance of melanoma cancer cells to the known treatments has become a barrier to the success of chemotherapy. In this research, a quantitative evaluation of the structure-activity relationship (QSAR) was carried out on 57 anti-cancer compounds and some selected potent compounds were screened through Lipinski’s rule and docked. Genetic function algorithm (GFA) was adopted in variables selection and Multiple linear regression (MLR) was used to generate the model. The built QSAR model showed good statistical parameters (( (0.904), (0.885), Q 2 cv (0.873) and (0.779)). The cR 2 P for Y-randomization is 0.749 and the applicability domain was also determined. The predictive ability of the model was found to be satisfactory and could be used to predict the anti-cancer activity of compounds on M19 MEL cell line. 4 most potent compounds were selected among the data set and screened through Lipinski's rule of five filters for oral bioavailability, ADMET risk filter for a drug like features. Later, V600E-BRAF, a known melanoma cancer target was used for docking. Based on the interaction energy and types of interactions involved, the selected compounds were identified as the best hits against V600E-BRAF. This research would help in the lead identification and design of novel drugs.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42107505","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 : 2021-02-14DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I2.19188
N. T. Tonu
A simplistic and inexpensive electrochemical platform has been fabricated for the simultaneous detection of Dihydroxybenzene Isomers (DHBIs); named- Hydroquinone (HQ), Catechol (CC) and Resorcinol (RS); in aqueous system. Cyclic Voltammetry (CV) and Differential Pulse Voltammetry (DPV) were adopted for the detection technique. 2B pencil (Faber Castell) collected from the resident stationary shop was used for fabricating Pencil Graphite Electrode (PGE) used as working electrode. PGE was characterized by SEM and EDX. It was modified electrochemically by ionic liquid, 1-Butyl-3-Methylimidazolium hexafluorophosphate (BIHP). Total analyses were performed in phosphate buffer solution (PBS) at pH 7.0. BIHP-PGE showed good selectivity and robust anti-interference for detection of HQ, CC and RS simultaneously in aqueous media. For HQ, CC and RS, the limit of detection is 9.09 μML -1 , 8.15 μM L -1 and 26.78 μM L -1 respectively and sensitivity is 525.21 μA/mM/cm 2 , 585.68 μA/mM/cm 2 and 178.00 μA/mM/cm 2 respectively at BIHP-PGE in simultaneous detection.
{"title":"Simultaneous Electrochemical Determination of Dihydroxybenzene Isomers at 1-Butyl-3-Methylimidazolium Hexafluorophosphate Modified Pencil Graphite Electrode","authors":"N. T. Tonu","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I2.19188","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I2.19188","url":null,"abstract":"A simplistic and inexpensive electrochemical platform has been fabricated for the simultaneous detection of Dihydroxybenzene Isomers (DHBIs); named- Hydroquinone (HQ), Catechol (CC) and Resorcinol (RS); in aqueous system. Cyclic Voltammetry (CV) and Differential Pulse Voltammetry (DPV) were adopted for the detection technique. 2B pencil (Faber Castell) collected from the resident stationary shop was used for fabricating Pencil Graphite Electrode (PGE) used as working electrode. PGE was characterized by SEM and EDX. It was modified electrochemically by ionic liquid, 1-Butyl-3-Methylimidazolium hexafluorophosphate (BIHP). Total analyses were performed in phosphate buffer solution (PBS) at pH 7.0. BIHP-PGE showed good selectivity and robust anti-interference for detection of HQ, CC and RS simultaneously in aqueous media. For HQ, CC and RS, the limit of detection is 9.09 μML -1 , 8.15 μM L -1 and 26.78 μM L -1 respectively and sensitivity is 525.21 μA/mM/cm 2 , 585.68 μA/mM/cm 2 and 178.00 μA/mM/cm 2 respectively at BIHP-PGE in simultaneous detection.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42464761","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 : 2021-02-14DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I1.21114
E. Mourid, M. Lakraimi, L. Benaziz, M. Cherkaoui
Hydrotalcite type material based on zinc, aluminum and carbonates was synthesized by coprecipitation method and its derived calcined at 500°C (CHT) was used to remove the textile dye methyl orange (MO). This adsorbent has a great potential for removing pollutants from aqueous solutions without generating sludge. Adsorption was performed in batch experiments. A rapid process of retention confirmed by kinetics reflects a high affinity between CHT material and MO dye. The adsorption isotherms follow the Langmuir model (L type). The results of several techniques suggest the intercalation of the pollutant between the hydrotacite sheets reconstructed from mixed oxides with a gallery of 2.35 nm. The retention capacity reaches 2500 mg/g with a removal rate of 100% for an optimum mass ratio MO/CHT of 0.3. After the recycling studies the material CHT justify its recyclability and confirms its efficiency for eliminating such pollutant.
{"title":"Water reuse after removing a textile dye methyl orange using a recyclable hydrotalcite material","authors":"E. Mourid, M. Lakraimi, L. Benaziz, M. Cherkaoui","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I1.21114","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I1.21114","url":null,"abstract":"Hydrotalcite type material based on zinc, aluminum and carbonates was synthesized by coprecipitation method and its derived calcined at 500°C (CHT) was used to remove the textile dye methyl orange (MO). This adsorbent has a great potential for removing pollutants from aqueous solutions without generating sludge. Adsorption was performed in batch experiments. A rapid process of retention confirmed by kinetics reflects a high affinity between CHT material and MO dye. The adsorption isotherms follow the Langmuir model (L type). The results of several techniques suggest the intercalation of the pollutant between the hydrotacite sheets reconstructed from mixed oxides with a gallery of 2.35 nm. The retention capacity reaches 2500 mg/g with a removal rate of 100% for an optimum mass ratio MO/CHT of 0.3. After the recycling studies the material CHT justify its recyclability and confirms its efficiency for eliminating such pollutant.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46036198","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 : 2021-02-14DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I2.22099
C. Tcheka, D. Abia, D. Iya-sou, A. L. T. Tamgue
In this study, corn cobs and corn roots, agricultural by-products and wastes, were used as precursors for preparation of powder activated carbons (PAC-CC and PAC-CR) by chemical activation with H 3 PO 4 . Functional groups on the surface of both adsorbents were determined by using ATR−FTIR spectroscopy, while their specific surfaces area were calculated using methylene blue adsorption method . Removal of Crystal Violet (CV) dye from aqueous medium onto both adsorbents was carried out at optimal pH of 10. The pseudo-first order and pseudo-second-order models were used to study adsorption kinetics. The Langmuir and Freundlich, isotherm models were employed to analyze the adsorption isotherm. CV dye molecules-activated carbon surface interaction revealed CV dye’s monolayer formation over activated carbon’s surface and the involvement of chemisorption, as verified by Langmuir isotherm model and pseudo-second order model, respectively. Langmuir maximum adsorption capacity of PAC-CC and PAC-CR for CV dye were 41.80 mg/g and 35.92 mg/g, respectively. From these results, it can be concluded that the activated carbon prepared from corn cobs or roots as precursor can be used as adsorbent for successful removal of dyes in an aqueous medium.
{"title":"Removal of Crystal Violet dye from aqueous solutions using chemically activated carbons by H3PO4 activation from corn cobs and Corn roots: kinetic and equilibrium isotherm studies","authors":"C. Tcheka, D. Abia, D. Iya-sou, A. L. T. Tamgue","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I2.22099","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I2.22099","url":null,"abstract":"In this study, corn cobs and corn roots, agricultural by-products and wastes, were used as precursors for preparation of powder activated carbons (PAC-CC and PAC-CR) by chemical activation with H 3 PO 4 . Functional groups on the surface of both adsorbents were determined by using ATR−FTIR spectroscopy, while their specific surfaces area were calculated using methylene blue adsorption method . Removal of Crystal Violet (CV) dye from aqueous medium onto both adsorbents was carried out at optimal pH of 10. The pseudo-first order and pseudo-second-order models were used to study adsorption kinetics. The Langmuir and Freundlich, isotherm models were employed to analyze the adsorption isotherm. CV dye molecules-activated carbon surface interaction revealed CV dye’s monolayer formation over activated carbon’s surface and the involvement of chemisorption, as verified by Langmuir isotherm model and pseudo-second order model, respectively. Langmuir maximum adsorption capacity of PAC-CC and PAC-CR for CV dye were 41.80 mg/g and 35.92 mg/g, respectively. From these results, it can be concluded that the activated carbon prepared from corn cobs or roots as precursor can be used as adsorbent for successful removal of dyes in an aqueous medium.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47641928","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 : 2021-02-14DOI: 10.48317/IMIST.PRSM/MORJCHEM-V9I1.24349
I. Warad
A new functionalized Schiff base N'-(di(pyridin-2-yl)methylene)benzohydrazide Schiff base (HZSB) was prepared in a high yield via condensation of benzohydrazide with di(pyridin-2-yl)methanone in ethanol solution under reflux condition. The prepared HZSB was characterized by XRD, DFT and computed via Hirshfeld surface analysis (HSA). The measured XRD structural parameters like angles lengths and bonds were matching with their DFT computed relatives.
{"title":"XRD/HSA-interactions, Hirshfeld analysis, HOMO/LUMO and MEP of new N'-(di(pyridin-2-yl)methylene DFT)benzohydrazide","authors":"I. Warad","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I1.24349","DOIUrl":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I1.24349","url":null,"abstract":"A new functionalized Schiff base N'-(di(pyridin-2-yl)methylene)benzohydrazide Schiff base (HZSB) was prepared in a high yield via condensation of benzohydrazide with di(pyridin-2-yl)methanone in ethanol solution under reflux condition. The prepared HZSB was characterized by XRD, DFT and computed via Hirshfeld surface analysis (HSA). The measured XRD structural parameters like angles lengths and bonds were matching with their DFT computed relatives.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":1.1,"publicationDate":"2021-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44699930","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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