Pub Date : 2022-05-04DOI: 10.34198/ejcs.8122.97114
O. Oladejo, A. O. Nubi, R. Adesina, O. O. Oyatola, B. O. Bassey
The Lagos lagoon is the largest of the four lagoon systems of the Gulf of Guinea coast. This aquatic resource of multiple usages receives diverse organic and inorganic materials from domestic, industrial, emission, and thermal sources. The levels of Polybrominateddiphenyl ethers (PBDEs) were assessed to ascertain the pollution status of surface water and sediment within this lagoon system. Four stations were sampled for PBDEs analysis, and ranged for surface water physicochemical parameters are (27.93 to 28.50 ⁰C), (115.00 to 2152.70 µS/cm), (2.00 to 2.80 mg/L), (6.45 to 7.63), (25.02 to 84.60 NTU), (226.30 to 3999.00 mg/L), for temperature, electrical conductivity, dissolved oxygen, pH, turbidity, and total dissolved solids respectively. While the Total Organic Carbon (TOC) in sampled sediment ranged from 0.5 to 5.71 mg/L., the total concentrations of PBDEs in sediments ranged from 31.6 to 47.5 µg/Kg. Whereas the BDEs concentration in water ranged from 3.7 to 10.5 pg/L, total PBDE concentration of individual congener for water ranged from approximately 0.8 to 12.5 pg/L. The BDE 28 predominates across the locations followed by BDE 99. Impact of PBDEs concentration in the marine environment was evident within the study area.
{"title":"Assessment of Polybrominated Diphenyl Ethers (PBDEs) Level and Physico-Chemical Characteristics of Water and Sediment of Gulf of Guinea","authors":"O. Oladejo, A. O. Nubi, R. Adesina, O. O. Oyatola, B. O. Bassey","doi":"10.34198/ejcs.8122.97114","DOIUrl":"https://doi.org/10.34198/ejcs.8122.97114","url":null,"abstract":"The Lagos lagoon is the largest of the four lagoon systems of the Gulf of Guinea coast. This aquatic resource of multiple usages receives diverse organic and inorganic materials from domestic, industrial, emission, and thermal sources. The levels of Polybrominateddiphenyl ethers (PBDEs) were assessed to ascertain the pollution status of surface water and sediment within this lagoon system. Four stations were sampled for PBDEs analysis, and ranged for surface water physicochemical parameters are (27.93 to 28.50 ⁰C), (115.00 to 2152.70 µS/cm), (2.00 to 2.80 mg/L), (6.45 to 7.63), (25.02 to 84.60 NTU), (226.30 to 3999.00 mg/L), for temperature, electrical conductivity, dissolved oxygen, pH, turbidity, and total dissolved solids respectively. While the Total Organic Carbon (TOC) in sampled sediment ranged from 0.5 to 5.71 mg/L., the total concentrations of PBDEs in sediments ranged from 31.6 to 47.5 µg/Kg. Whereas the BDEs concentration in water ranged from 3.7 to 10.5 pg/L, total PBDE concentration of individual congener for water ranged from approximately 0.8 to 12.5 pg/L. The BDE 28 predominates across the locations followed by BDE 99. Impact of PBDEs concentration in the marine environment was evident within the study area.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91447482","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}
Physiological indican, indoxyl sulphate, is an analyte since higher levels of this compound indicate stomach dysfunction and intestinal dysbiosis. The Hammarsten test for indican in urine is interesting from the Biochemistry point of view as for Organic Chemistry since the chemistry involved in this test has not been described. The test employs a solution of calcium chlorohypochlorite added to acidulated urine with fuming hydrochloric acid, in the presence of chloroform. The latter turns blue due to indigo formation. The colour can be pale, bright, or dark, in accordance with indican concentration. This swift indigo-synthesis in acidic medium, via chlorinated intermediates, differs notably from the oxygenation process in alkaline medium that takes place during the obtention of indigo from vegetable source. We provide the route from physiological indican to indigo blue and to indigo red (indirubin), giving the electron flow, step by step, in this reaction series.
{"title":"On the Chemistry of Hammarsten Test for Indican in Urine","authors":"F. Sánchez-Viesca, Reina Gómez","doi":"10.34198/ejcs.8122.6975","DOIUrl":"https://doi.org/10.34198/ejcs.8122.6975","url":null,"abstract":"Physiological indican, indoxyl sulphate, is an analyte since higher levels of this compound indicate stomach dysfunction and intestinal dysbiosis. The Hammarsten test for indican in urine is interesting from the Biochemistry point of view as for Organic Chemistry since the chemistry involved in this test has not been described. The test employs a solution of calcium chlorohypochlorite added to acidulated urine with fuming hydrochloric acid, in the presence of chloroform. The latter turns blue due to indigo formation. The colour can be pale, bright, or dark, in accordance with indican concentration. This swift indigo-synthesis in acidic medium, via chlorinated intermediates, differs notably from the oxygenation process in alkaline medium that takes place during the obtention of indigo from vegetable source. We provide the route from physiological indican to indigo blue and to indigo red (indirubin), giving the electron flow, step by step, in this reaction series.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91045866","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}
The present density functional treatment (B3LYP/6-311++G(d,p)) within the restrictions of the theory and the basis set employed, considers perturbational effects at the molecular level by the replacement of one of the nitro groups of 2,4,6-trinitro toluene (TNT) with iodyl moiety. The process yield two iodyl isomers which are stable electronically and structurally. Various quantum chemical, IR and UV-VIS spectral properties are investigated and compared with the respective values of TNT. The nitro-iodyl group replacement causes narrowing of the interfrontier molecular orbital gap and increases the impact sensitivity of the systems considered.
{"title":"Effect of Nitro-Iodyl Group Replacement on TNT - A DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.8122.5367","DOIUrl":"https://doi.org/10.34198/ejcs.8122.5367","url":null,"abstract":"The present density functional treatment (B3LYP/6-311++G(d,p)) within the restrictions of the theory and the basis set employed, considers perturbational effects at the molecular level by the replacement of one of the nitro groups of 2,4,6-trinitro toluene (TNT) with iodyl moiety. The process yield two iodyl isomers which are stable electronically and structurally. Various quantum chemical, IR and UV-VIS spectral properties are investigated and compared with the respective values of TNT. The nitro-iodyl group replacement causes narrowing of the interfrontier molecular orbital gap and increases the impact sensitivity of the systems considered.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76898849","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}
Ngoné Diouf, I. Thiam, Rokhaya SYLLA-GUEYE, P. Retailleau, M. Gaye
The use of 2-{[2-(2-hydroxybenzylideneamino)phenylimino]methyl}phenol (H2L) in metal transition chemistry has yielded a co-crystal which is composed by one neutral mononuclear, one cationic dinuclear and one perchlorate anion. During the formation of the complex, one of the salicylaldimine groups of one of the molecules of the H2L ligand hydrolyzed to form an asymmetrical ligand with an amino group leading to the molecule (2-((2-aminophenylimino)methyl)phenol (HL'). The complex was formulated as {[Cu(L)].[Cu2(L)(L')]}.(ClO4). The structure of the complex was solved by single crystal X-ray crystallography. In the mononuclear unit, the Cu2+ atom is coordinated by one dideprotonated molecule of the ligand acting in tetradentate fashion. In the dinuclear unit, one the Cu2+ atom is coordinated by one dideprotonated molecule of the ligand acting in tetradentate fashion and the other Cu2+ is coordinated by the monodeprotonated (2-((2-aminophenylimino)methyl)phenol (HL') acting in tridentate fashion. The two Cu2+ are bridged by the two phenoxo oxygen atoms of the dideprotonated molecule of the ligand. The complex crystallizes in the triclinic space group Pī with the following parameters: a = 13.8864 (3) Å, b = 14.2078 (4) Å, c = 14.5007 (4)) Å, α = 64.593 (3), β = 71.353 (2), γ = 71.707 (2)°, V = 2395.80 (13) Å3, Z = 2, R1 = 0.037, wR2 = 0.041. The supramolecular structures are consolidated by multiple hydrogen bonds.
{"title":"Syntheses, Characterization, and X-Ray Crystal Structure of a Co-Crystal Containing One Neutral Mononuclear Copper (II) Unit and One Cationic Dinuclear Copper (II) Unit Assembled with Schiff Base and Perchlorate Copper(II) Salt","authors":"Ngoné Diouf, I. Thiam, Rokhaya SYLLA-GUEYE, P. Retailleau, M. Gaye","doi":"10.34198/ejcs.8122.3552","DOIUrl":"https://doi.org/10.34198/ejcs.8122.3552","url":null,"abstract":"The use of 2-{[2-(2-hydroxybenzylideneamino)phenylimino]methyl}phenol (H2L) in metal transition chemistry has yielded a co-crystal which is composed by one neutral mononuclear, one cationic dinuclear and one perchlorate anion. During the formation of the complex, one of the salicylaldimine groups of one of the molecules of the H2L ligand hydrolyzed to form an asymmetrical ligand with an amino group leading to the molecule (2-((2-aminophenylimino)methyl)phenol (HL'). The complex was formulated as {[Cu(L)].[Cu2(L)(L')]}.(ClO4). The structure of the complex was solved by single crystal X-ray crystallography. In the mononuclear unit, the Cu2+ atom is coordinated by one dideprotonated molecule of the ligand acting in tetradentate fashion. In the dinuclear unit, one the Cu2+ atom is coordinated by one dideprotonated molecule of the ligand acting in tetradentate fashion and the other Cu2+ is coordinated by the monodeprotonated (2-((2-aminophenylimino)methyl)phenol (HL') acting in tridentate fashion. The two Cu2+ are bridged by the two phenoxo oxygen atoms of the dideprotonated molecule of the ligand. The complex crystallizes in the triclinic space group Pī with the following parameters: a = 13.8864 (3) Å, b = 14.2078 (4) Å, c = 14.5007 (4)) Å, α = 64.593 (3), β = 71.353 (2), γ = 71.707 (2)°, V = 2395.80 (13) Å3, Z = 2, R1 = 0.037, wR2 = 0.041. The supramolecular structures are consolidated by multiple hydrogen bonds.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72627331","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}
CdO nanoparticles show a strong peak of Plasmon absorption in ultraviolet-visible zone. A strong interaction exists between the surface of CdO nanoparticles and aryl mercaptan compounds. Aryl mercaptan compounds cause to aggregation of CdO nanoparticles linked to DNA/RNA and hence, lead to widening of peak Plasmon of CdO nanoparticles surface at 550 (nm) and emerging a new peak at higher wavelength. In the current project, this optical characteristic of CdO nanoparticles is used to time investigate of interaction between different aryl mercaptanes and CdO nanoparticles. The results were shown that aryl mercaptan compounds with shorter chain length interact faster with CdO nanoparticles. Therefore, a simple and fast method for identification of aryl mercaptanes with various chain length using red shift in surficial Plasmon absorption is presented.
{"title":"Study of DNA/RNA Aggregation Linked to Cadmium Oxide (CdO) Nanoparticles by Aryl Mercaptanes with Various Chain Length","authors":"A. Heidari","doi":"10.34198/ejcs.8122.1334","DOIUrl":"https://doi.org/10.34198/ejcs.8122.1334","url":null,"abstract":"CdO nanoparticles show a strong peak of Plasmon absorption in ultraviolet-visible zone. A strong interaction exists between the surface of CdO nanoparticles and aryl mercaptan compounds. Aryl mercaptan compounds cause to aggregation of CdO nanoparticles linked to DNA/RNA and hence, lead to widening of peak Plasmon of CdO nanoparticles surface at 550 (nm) and emerging a new peak at higher wavelength. In the current project, this optical characteristic of CdO nanoparticles is used to time investigate of interaction between different aryl mercaptanes and CdO nanoparticles. The results were shown that aryl mercaptan compounds with shorter chain length interact faster with CdO nanoparticles. Therefore, a simple and fast method for identification of aryl mercaptanes with various chain length using red shift in surficial Plasmon absorption is presented.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80586920","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}
Hexamethylene triperoxide diamine (HMTD) is one of the peroxide type organic explosive which is sensitive to various stimuli including electrical charging. In the present study, within the restrictions of density functional theory at the level of B3LYP/6-311++G(d,p) some ionic forms of HMTD have been investigated. Its anionic and cationic forms considered all undergo decomposition. The monoanion form exhibited cleavage of two peroxide bonds and two C-H bonds whereas the monocation and dication forms show the rupture of O-CH2 bonds. Some quantum chemical properties and UV-VIS spectra of HMTD and the decomposed products were obtained and discussed.
{"title":"Some Ions of Hexamethylene Triperoxide Diamine - A DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.8122.112","DOIUrl":"https://doi.org/10.34198/ejcs.8122.112","url":null,"abstract":"Hexamethylene triperoxide diamine (HMTD) is one of the peroxide type organic explosive which is sensitive to various stimuli including electrical charging. In the present study, within the restrictions of density functional theory at the level of B3LYP/6-311++G(d,p) some ionic forms of HMTD have been investigated. Its anionic and cationic forms considered all undergo decomposition. The monoanion form exhibited cleavage of two peroxide bonds and two C-H bonds whereas the monocation and dication forms show the rupture of O-CH2 bonds. Some quantum chemical properties and UV-VIS spectra of HMTD and the decomposed products were obtained and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79633806","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 : 2022-01-25DOI: 10.34198/ejcs.7222.143152
Z. Adiya, S. S. Adamu, M. A. Ibrahim, E. Okoh, D. Ibrahim
Bioethanol was produced from the three different agro-industrial biomass residues, i.e., sugarcane bagasse (SB), rice husk (RH) and corn cob (CC)) at 35°C, 120hr with 90g of each substrate. 2% H2SO4 was used for hydrolysis of the samples while 3g of yeast (saccharomyces cerevisiae) was used for fermentation. Simple distillation was used for the distillation of the fermented broth. The concentration of reducing sugar and ethanol, quantity of produced bioethanol as well as the physical properties (pH, density, viscosity and flash point) was investigated. SB has the highest concentration of reducing sugar and ethanol as well as the quantity of produced bioethanol. The pH of bioethanol generated from all the three substrates are within the bioethanol standard value while the density, viscosity and flash point were higher than bioethanol standards. It was concluded that both SB, RH and CC has the potential of bioethanol production in commercial quantity under well-chosen production conditions.
{"title":"Comparative Study of Bioethanol Produced from Different Agro-Industrial Biomass Residues","authors":"Z. Adiya, S. S. Adamu, M. A. Ibrahim, E. Okoh, D. Ibrahim","doi":"10.34198/ejcs.7222.143152","DOIUrl":"https://doi.org/10.34198/ejcs.7222.143152","url":null,"abstract":"Bioethanol was produced from the three different agro-industrial biomass residues, i.e., sugarcane bagasse (SB), rice husk (RH) and corn cob (CC)) at 35°C, 120hr with 90g of each substrate. 2% H2SO4 was used for hydrolysis of the samples while 3g of yeast (saccharomyces cerevisiae) was used for fermentation. Simple distillation was used for the distillation of the fermented broth. The concentration of reducing sugar and ethanol, quantity of produced bioethanol as well as the physical properties (pH, density, viscosity and flash point) was investigated. SB has the highest concentration of reducing sugar and ethanol as well as the quantity of produced bioethanol. The pH of bioethanol generated from all the three substrates are within the bioethanol standard value while the density, viscosity and flash point were higher than bioethanol standards. It was concluded that both SB, RH and CC has the potential of bioethanol production in commercial quantity under well-chosen production conditions.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78332550","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 : 2022-01-24DOI: 10.34198/ejcs.7222.127142
L. Türker
Dicyanofuroxan is a new and interesting high explosive that can be used instead of some classical explosives. The present density functional treatment considers dicyanofuroxan and its ring opened dinitroso isomer. The treatment has been based on density functional theory at the level of UB3LYP/6-311++G(d,p). Within the constraints of the theory and the basis set employed the results indicated that the ring form of dicyanofuroxan is electronically more stable and thermodynamically more favored compared to its ring-opened dinitroso isomer. Transition state geometry and energy have been obtained for the ring opening reaction of dicyanofuroxan. Furthermore its charged forms are the focus of interest. Its monoanionic and dicationic forms decompose but mono cation form undergoes some bond elongations tending to decompose. Additionally some quantum chemical properties are presented and discussed.
{"title":"Dicyanofuroxan and Its Charged Forms - A DFT Study","authors":"L. Türker","doi":"10.34198/ejcs.7222.127142","DOIUrl":"https://doi.org/10.34198/ejcs.7222.127142","url":null,"abstract":"Dicyanofuroxan is a new and interesting high explosive that can be used instead of some classical explosives. The present density functional treatment considers dicyanofuroxan and its ring opened dinitroso isomer. The treatment has been based on density functional theory at the level of UB3LYP/6-311++G(d,p). Within the constraints of the theory and the basis set employed the results indicated that the ring form of dicyanofuroxan is electronically more stable and thermodynamically more favored compared to its ring-opened dinitroso isomer. Transition state geometry and energy have been obtained for the ring opening reaction of dicyanofuroxan. Furthermore its charged forms are the focus of interest. Its monoanionic and dicationic forms decompose but mono cation form undergoes some bond elongations tending to decompose. Additionally some quantum chemical properties are presented and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76987127","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 : 2022-01-09DOI: 10.34198/ejcs.7122.97113
A. Elijah
The emergence of several industrial activities has arguably led to hydrocarbon contamination of all aspects of the environment. The resultant effect of the increased dependence on crude oil is the hydrocarbon pollution via the exploration, transport and waste disposal. Crude oil is a complex mixture of aliphatic, aromatic and heterocyclic compounds. The impact of the crude oil spills, pesticides, fossil fuels and other organic pollutants, which majorly contains these hydrocarbons is that the natural heavy metal content of the soil is drastically rising, resulting in high concentration of heavy metals, thereby limiting the microbe’s activity, rendering it unsuitable for degradation and reduced effectiveness. This menace has hereby brought the dire need for adequate environmental remediation technique, putting into consideration the achievement of the Sustainable Development Goals (SDGs’). Variety of techniques exist for remediation depending on the media (e.g. air, water, or soil) and contaminant (e.g. heavy metals, PCB etc.). Some of the techniques adopted in the last several decades are physical/mechanical, chemical or biochemical remediation methods.
{"title":"A Review of the Petroleum Hydrocarbons Contamination of Soil, Water and Air and the Available Remediation Techniques, Taking into Consideration the Sustainable Development Goals","authors":"A. Elijah","doi":"10.34198/ejcs.7122.97113","DOIUrl":"https://doi.org/10.34198/ejcs.7122.97113","url":null,"abstract":"The emergence of several industrial activities has arguably led to hydrocarbon contamination of all aspects of the environment. The resultant effect of the increased dependence on crude oil is the hydrocarbon pollution via the exploration, transport and waste disposal. Crude oil is a complex mixture of aliphatic, aromatic and heterocyclic compounds. The impact of the crude oil spills, pesticides, fossil fuels and other organic pollutants, which majorly contains these hydrocarbons is that the natural heavy metal content of the soil is drastically rising, resulting in high concentration of heavy metals, thereby limiting the microbe’s activity, rendering it unsuitable for degradation and reduced effectiveness. This menace has hereby brought the dire need for adequate environmental remediation technique, putting into consideration the achievement of the Sustainable Development Goals (SDGs’). Variety of techniques exist for remediation depending on the media (e.g. air, water, or soil) and contaminant (e.g. heavy metals, PCB etc.). Some of the techniques adopted in the last several decades are physical/mechanical, chemical or biochemical remediation methods.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75018365","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 : 2022-01-09DOI: 10.34198/ejcs.7222.115126
L. Türker
Dinitrohydrazines and interaction of them with some group-II metals have been considered within the restrictions of density functional theory and the basis set applied (B3LYP/6-311++G(d,p)). Dinitrohydrazine has two isomers as geminal and vicinal. The calculations reveal that both of them are structurally stable. The vicinal form electronically is more stable and thermo chemically more favorable than the other isomer. The beryllium magnesium and calcium (1:1) composites of them are considered. The results indicate that only the beryllium composites (geminal and vicinal) are structurally intact while the others undergo decomposition due to reductive cleavage by the metals. The decompositions occurred exhibit variations from one composite to the other.
{"title":"Dinitrohydrazines and Interaction of Them with Some Group-II Metals - DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.7222.115126","DOIUrl":"https://doi.org/10.34198/ejcs.7222.115126","url":null,"abstract":"Dinitrohydrazines and interaction of them with some group-II metals have been considered within the restrictions of density functional theory and the basis set applied (B3LYP/6-311++G(d,p)). Dinitrohydrazine has two isomers as geminal and vicinal. The calculations reveal that both of them are structurally stable. The vicinal form electronically is more stable and thermo chemically more favorable than the other isomer. The beryllium magnesium and calcium (1:1) composites of them are considered. The results indicate that only the beryllium composites (geminal and vicinal) are structurally intact while the others undergo decomposition due to reductive cleavage by the metals. The decompositions occurred exhibit variations from one composite to the other.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89217539","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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