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Syntheses, Characterization, and X-Ray Crystal Structure of a 1:1 Co-Crystal of bis{bis[((2-(1H-imidazol-2-yl)methylidene)amino)phenolato-κ3N,N’,O]nickel(II)} and bis{bis[((2-(1H-imidazol-2-yl)methylidene) amino)phenol-κ3N,N’,O]nickel(II)} tetra(chloride) 双{双[(2-(1h -咪唑-2-基)甲基)氨基)苯酚-κ 3n,N′，O]镍(II)}和双{双[(2-(1h -咪唑-2-基)甲基)氨基)苯酚-κ 3n,N′，O]镍(II)}四元(氯)1:1共晶的合成、表征和x射线晶体结构
Earthline Journal of Chemical Sciences Pub Date : 2022-08-23 DOI: 10.34198/ejcs.8222.257273
Babacar Diop, Gorgui Awa Seck, I. Thiam, O. Diouf, F. Tamboura, P. Retailleau, M. Gaye
{"title":"Syntheses, Characterization, and X-Ray Crystal Structure of a 1:1 Co-Crystal of bis{bis[((2-(1H-imidazol-2-yl)methylidene)amino)phenolato-κ3N,N’,O]nickel(II)} and bis{bis[((2-(1H-imidazol-2-yl)methylidene) amino)phenol-κ3N,N’,O]nickel(II)} tetra(chloride)","authors":"Babacar Diop, Gorgui Awa Seck, I. Thiam, O. Diouf, F. Tamboura, P. Retailleau, M. Gaye","doi":"10.34198/ejcs.8222.257273","DOIUrl":"https://doi.org/10.34198/ejcs.8222.257273","url":null,"abstract":"The present investigation describes the synthesis and structural study of the ligand 2-((1H-imidazol-2-yl)methyleneamino)phenol, which was used to generate three dimensio-nal supramolecular complex formulated as {[Ni(HL)2]2.[Ni(H2L)2]2.(Cl)4.(H2O)5}. The title compound crystallizes in the orthorhombic space group Fddd with the following unit cell parameters: a = 13.9269(4) Å, b = 29.5295(16) Å, c = 43.1739(15) Å, V = 17755.5(12) Å3, Z = 8, R1 = 0.043 and wR2 = 0.129. For this compound, the structure reveals that one neutral mononuclear unit [Ni(HL)2] and one cationic mononuclear unit [Ni(H2L)2]2+. In the neutral unit, the organic molecule acts as a tridentate through one imino nitrogen atom, one nitrogen atom from the imidazole ring and one phenolate oxygen atom. In the cationic unit, it acts as tridentate through one imino nitrogen atom, one nitrogen atom from the imidazole ring and one oxygen atom of non-deprotonated phenol group. In both units the nickel(II) ion is hexacoordinated and the coordination environment can be described as distorted octahedral geometry. Numerous hydrogen bonds link the molecules into three dimensional network.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84978612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Some Tautomers of 5-Nitriminotetrazole - A DFT Study 5-亚硝基四唑的一些互变异构体- DFT研究
Earthline Journal of Chemical Sciences Pub Date : 2022-08-22 DOI: 10.34198/ejcs.8222.241255
L. Türker
{"title":"Some Tautomers of 5-Nitriminotetrazole - A DFT Study","authors":"L. Türker","doi":"10.34198/ejcs.8222.241255","DOIUrl":"https://doi.org/10.34198/ejcs.8222.241255","url":null,"abstract":"Tetrazole compounds having high-nitrogen content, thermal and kinetic stability are usually desired energetic materials. In the present study, various proton tautomers of 5-nitriminotetrazole, including 1,3-types and others, have been investigated within the constraints of density functional theory at the level of B3LYP/6-31++G(d,p). Some structural, spectral, physico chemical and quantum chemical data have been collected and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72741045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Environmental and Health Impacts of Women Fish Processors Working on Traditional and Modern Fish Smoking Platforms in Braffèdon (Ivory Coast) 在布拉夫迪顿传统和现代熏鱼平台上工作的妇女鱼加工者对环境和健康的影响(科特迪瓦)
Earthline Journal of Chemical Sciences Pub Date : 2022-08-21 DOI: 10.34198/ejcs.8222.225239
Ambroise Ossehin, Kouho Lydie Koukougnon, Yapi Fulgence Acho, Corneil Quand-Même Gnamba, O. Yapo
{"title":"Environmental and Health Impacts of Women Fish Processors Working on Traditional and Modern Fish Smoking Platforms in Braffèdon (Ivory Coast)","authors":"Ambroise Ossehin, Kouho Lydie Koukougnon, Yapi Fulgence Acho, Corneil Quand-Même Gnamba, O. Yapo","doi":"10.34198/ejcs.8222.225239","DOIUrl":"https://doi.org/10.34198/ejcs.8222.225239","url":null,"abstract":"Smoked fish plays a significant role in food security and nutrition, represents 2/3 of the consumption of fishery products in Ivory Coast and is still obtained using outdated traditional smoking methods. These methods are not very concerned with the health of the populations and the preservation of the environment, despite the existence of improved ovens called FTT ovens (FAO-Thiaroye Processing Technique) introduced in the country. The objective of this study is to show the impact of traditional smoking on the health of fish smokers and the environment in comparison with smoking processes based on FTT ovens. It is a cross-sectional and descriptive study involving 36 female smokers who use traditional ovens, 24 female smokers who use FTT ovens, as well as 53 Braffèdon case controls. It was conducted from January 2017 to December 2018. The data collection methodology includes questionnaire surveys, interviews, and observations. For the purpose of the study, two samples were followed: these were women smokers and non-smokers of fish, all of whom volunteered at the clinical examinations conducted. The results showed that women who use traditional stoves are more affected by pathologies. Baseline spirometry did not detect a significant frequency of ventilatory disorders. Bronchial hyperreactivity was statistically more frequent in women smokers using traditional ovens. Three measurement campaigns for CO, VOC and NO were performed above the ovens, at the women's resting point and beyond the ovens. The CO levels found at the women’s resting point in the traditional sites were higher and often exceeded the limit value (50 mg/m3). This work has allowed us to identify the deleterious effects of the fish smoking activity on the health of the fish smokers and the environment.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84671969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adsorption of Methyl Orange on Corncob Activated Carbon: Kinetic, Equilibrium, and Thermodynamic Studies 玉米芯活性炭对甲基橙的吸附:动力学、平衡和热力学研究
Earthline Journal of Chemical Sciences Pub Date : 2022-08-04 DOI: 10.34198/ejcs.8222.205224
Abollé Abollé, K. Y. Urbain, Kambiré Ollo, Koné Yétchié Tchonrontcha, Kouakou Adjoumani Rodrigue
{"title":"Adsorption of Methyl Orange on Corncob Activated Carbon: Kinetic, Equilibrium, and Thermodynamic Studies","authors":"Abollé Abollé, K. Y. Urbain, Kambiré Ollo, Koné Yétchié Tchonrontcha, Kouakou Adjoumani Rodrigue","doi":"10.34198/ejcs.8222.205224","DOIUrl":"https://doi.org/10.34198/ejcs.8222.205224","url":null,"abstract":"H3PO4 activated corncob carbon was used for removal of methyl orange. Characterization of the prepared carbon showed that it has many pores with a specific surface area equal to 714 m2 g-1. During this study, the concentration of methyl orange was monitored using a UV-visible spectrophotometer. The kinetic study of the adsorption of methyl orange on activated carbon was performed and the adsorption rate was found to be consistent with pseudo-second order kinetics with 240 min as the equilibrium time. The equilibrium adsorption revealed that the experimental data better fit the Langmuir isotherm model for methyl orange removal. It is noted that for optimal removal of 10 mg L-1 methyl orange in a 25 mL volume, 0.3 g of activated carbon and a pH equal to 2.04 are required. The maximum monolayer adsorption capacity for methyl orange removal was found to be 107.527 mg g-1. Analysis of thermodynamic parameters showed that the adsorption process of methyl orange on activated carbon is physisorption, spontaneous and endothermic.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86993646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Effect of Isotopic Nitrogen Exchange on NTO Molecule-A DFT Approach 同位素氮交换对NTO分子- a DFT方法的影响
Earthline Journal of Chemical Sciences Pub Date : 2022-08-01 DOI: 10.34198/ejcs.8222.193204
L. Türker
{"title":"Effect of Isotopic Nitrogen Exchange on NTO Molecule-A DFT Approach","authors":"L. Türker","doi":"10.34198/ejcs.8222.193204","DOIUrl":"https://doi.org/10.34198/ejcs.8222.193204","url":null,"abstract":"5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO), is an insensitive energetic material. It is one of the most studied nitrotriazole type explosives. In the present study, a set of NTO molecules subjected to 15N exchange one at a time have been investigated in terms of energies within the realm of density functional theory at the level of B3LYP/6-311++G(d,p). The effect of isotopic exchanged type perturbation on the infra red frequencies and intensities have been searched. Also, the lactam/lactim tautomerism involving NTO and its 15N exchanged derivatives are studied and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80815008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Monomethoxy Isomers of Psoralen - DFT Treatment 补骨脂素的单甲氧基异构体- DFT治疗
Earthline Journal of Chemical Sciences Pub Date : 2022-07-15 DOI: 10.34198/ejcs.8222.175192
L. Türker
{"title":"Monomethoxy Isomers of Psoralen - DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.8222.175192","DOIUrl":"https://doi.org/10.34198/ejcs.8222.175192","url":null,"abstract":"The present study considers psoralen isomers having a methoxy substituent at different positions of the psoralen backbone. Density functional approach has been adopted at the level of B3LYP/6-311++G(d,p) to obtain various geometrical, physicochemical, spectral and quantum chemical properties of the isomers of concern including bergapten and xanthotoxin. Also local aromaticities of the benzenoid and furanoid rings have been obtained by calculating the nucleolus independent chemical shift values.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84762577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, Characterization and Antimicrobial Activity of N-Pyridin-3-yl-benzenesulfonamide n-吡啶-3-基苯磺酰胺的合成、表征及抗菌活性研究
Earthline Journal of Chemical Sciences Pub Date : 2022-07-08 DOI: 10.34198/ejcs.8222.163173
A.O. Ijuomah, D. C. Ike, M. Obi
{"title":"Synthesis, Characterization and Antimicrobial Activity of N-Pyridin-3-yl-benzenesulfonamide","authors":"A.O. Ijuomah, D. C. Ike, M. Obi","doi":"10.34198/ejcs.8222.163173","DOIUrl":"https://doi.org/10.34198/ejcs.8222.163173","url":null,"abstract":"This study describes a simple one-pot synthesis of N-pyridin-3-yl-benzenesulfonamide and its antimicrobial activity. The reaction of benzene sulfonyl chloride with 3-aminopyridine in the presence of aqueous Na2CO3 and HCl as a scavenger furnished the sulfonamide in 93.3% yield. The structure of the synthesized compound was established using the spectral data obtained from FTIR, 1HNMR and 13CNMR). All spectrometric spectrum bands and peaks obtained were sulfonamide-related. The antibacterial test carried out against Gram-positive bacterium (Staphylococcus aureus) and Gram-negative bacteria (Salmonella typhi and Eschericha coli) tested upon at concentrations 150, 100, 50 and 25 mg/ml revealed that the synthesized N-pyridin-3yl-benzenesulfonamide possesses great antimicrobial activity.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77080188","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Aluminum on Nitroform - A DFT Study 铝对硝基仿的影响- A - DFT研究
Earthline Journal of Chemical Sciences Pub Date : 2022-06-13 DOI: 10.34198/ejcs.8222.147162
L. Türker
{"title":"Effect of Aluminum on Nitroform - A DFT Study","authors":"L. Türker","doi":"10.34198/ejcs.8222.147162","DOIUrl":"https://doi.org/10.34198/ejcs.8222.147162","url":null,"abstract":"Trinitromethane (nitroform, NF) is an interesting substance. It acts as an oxidizer and forms salts/salt-like materials. In the present study, nitroform and aluminum interaction has been investigated within the limitations of density functional theory at the level of unrestricted B3LYP/6-311++G(d,p). The composites having formula of NF+Al and NF+2Al are considered. Since aluminum has an unpaired electron in the ground state, various multiplicities arise for the composites of present interest. Some geometrical, physico chemical, quantum chemical and spectral data have been obtained and discussed. The results indicate that the interaction between aluminum and nitroform is moderate in the case of NF+Al(d) which (has doublet multiplicity) and only some bond angle and length distortions happen. In the case of NF+2Al(s) composite, drastic effect of aluminum atom results in C-NO2 bond rupture of nitroform. On the other hand, the triplet state of NF+2Al, (NF+2Al(t)) perturbations caused by the aluminum is also moderate. In each case the aluminum atom acquires partial positive charge.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77553485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
DFT Treatment of Hydrazine - Nitroform Interaction 联氨-硝基甲烷相互作用的DFT处理
Earthline Journal of Chemical Sciences Pub Date : 2022-06-01 DOI: 10.34198/ejcs.8222.131145
L. Türker
{"title":"DFT Treatment of Hydrazine - Nitroform Interaction","authors":"L. Türker","doi":"10.34198/ejcs.8222.131145","DOIUrl":"https://doi.org/10.34198/ejcs.8222.131145","url":null,"abstract":"In the present study, interaction of hydrazine and nitroform (trinitromethane) has been investigated via some models within the constraints of density functional theory at the level of B3LYP/6-311++G(d,p). The data have revealed that the electronic stability order of the models is 3>1>2>5>4 where model-3 is a cyclic one. The others are acyclic and some of them are ion-pair models. Some geometrical, physico chemical and quantum chemical data have been obtained and discussed. The results, overall, indicate that the interaction between the hydrazine and nitroform in the salt form is not ion-pair type, but the hydrogen of nitroform prefers to be linked to carbon atom, thus some sort of nonbonding interactions occur.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85981443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nаtural Antioxidants and their Effect on Human Health 天然抗氧化剂及其对人体健康的影响
Earthline Journal of Chemical Sciences Pub Date : 2022-05-19 DOI: 10.34198/ejcs.8122.115129
M. T. Al-Ani, W. S. Ulaiwi, Wasan M. Abd-Alhameed
{"title":"Nаtural Antioxidants and their Effect on Human Health","authors":"M. T. Al-Ani, W. S. Ulaiwi, Wasan M. Abd-Alhameed","doi":"10.34198/ejcs.8122.115129","DOIUrl":"https://doi.org/10.34198/ejcs.8122.115129","url":null,"abstract":"Fruit, vegetables and spice antioxidants are recognized for their important role in human health against some diseases for instance cancer and cardiovascular diseases. Phenolic antioxidants, vitamins (C and E), flavonoids, and cаtеchins are among the major nаturally bioavailable antioxidants. Nаtural antioxidants positive impact on human health can be summarized on their potential to act against inflammation, bacteria, aging, oxidаtive stress and cаncer. The evaluation of antioxidants bioavailability in food and medicinal plants are essential to understand the best antioxidant sources and to elevate their use in food, pharmaceuticals and food additives.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79872591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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