Earthline Journal of Chemical Sciences最新文献

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Tin(IV) Halides Zero-dimensional based Inorganic-Organic Hybrid Materials: Crystal Structures and Hirshfeld Surface Analysis 锡(IV)卤化物零维无机-有机杂化材料:晶体结构和表面分析
Earthline Journal of Chemical Sciences Pub Date : 2023-02-22 DOI: 10.34198/ejcs.10123.5776
M. Ndiaye, Serigne Fallou Pouye, M. Diop, L. Diop,, Abdoulaye Samb, Allen G. Oliver
{"title":"Tin(IV) Halides Zero-dimensional based Inorganic-Organic Hybrid Materials: Crystal Structures and Hirshfeld Surface Analysis","authors":"M. Ndiaye, Serigne Fallou Pouye, M. Diop, L. Diop,, Abdoulaye Samb, Allen G. Oliver","doi":"10.34198/ejcs.10123.5776","DOIUrl":"https://doi.org/10.34198/ejcs.10123.5776","url":null,"abstract":"Two tetramethylguanidinium halostannate inorganic-organic hybrid compounds was isolated and structurally investigated by single crystal X-ray crystallography and Hirshfeld surface analysis. The compound [(C6H14N3)2SnCl6] (1), crystallizes in the orthorhombic space group Fddd with Z = 8 / Z’ = 0.25, a = 7.3474(3) Å, b = 22.3678(8) Å, c = 28.4908(10) Å and V = 4682.3(3) Å3. The compound [(C6H14N3)2SnBr6] (2), crystallizes in the orthorhombic space group Fddd with Z = 8 / Z’ = 0.25, a = 7.5767(5) Å, b = 23.0591(17) Å, c = 29.008(2) Å and V = 5068.0(6) Å3. The isolation of 1 undergoes a redox process from Sn(II) to Sn(IV) in solution and in a non-controlled atmosphere. Both compounds 1 and 2 describe TMG+ ions with a central carbon atom in a trigonal–planar fashion. With respect to this CN3 plane, the pairs of di­methyl­ammonium groups are twisted by 13.70 (8) and 32.21 (8)° for 1, 14.88 (13) and 31.95(13)° for 2. The SnX6 dianions evidence a slightly distorted octahedron (Oh) about Sn centre for hybrids 1 and 2. Within the structures of the hybrid materials 1 and 2, N-H···Cl inter-species hydrogen bonding patterns between the inorganic stannate and the organic entities give rise a one-dimensional chain, wherein inorganic and organic species alternate. The propagation of the chain generates rings. The weak C-H···X hydrogen bonds formed from the methyl groups to adjacent tetramethylguanidinium-stannate chains result in a supramolecular three-dimensional hydrogen-bonded network. The Hirshfeld surface analysis shows existence of both strong and weak hydrogen bonding interactions. Inspection of 1 and 2 by the Hirshfeld surface analysis, show isostructural behavior. Hybrids 1 and 2 are the first crystal reports of a tetramethylguanidinium tetra- or hexa-halostannate.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85060062","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
Chemical Investigation of the Senegalese Marine Sponge Luffariella geometrica 塞内加尔海绵Luffariella geomeica的化学研究
Earthline Journal of Chemical Sciences Pub Date : 2023-02-20 DOI: 10.34198/ejcs.10123.4956
Abou Moussa Sow, Mohamet Diop, M. Fofana, Bédié Mbow
{"title":"Chemical Investigation of the Senegalese Marine Sponge Luffariella geometrica","authors":"Abou Moussa Sow, Mohamet Diop, M. Fofana, Bédié Mbow","doi":"10.34198/ejcs.10123.4956","DOIUrl":"https://doi.org/10.34198/ejcs.10123.4956","url":null,"abstract":"One new γ-hydroxybutenolide (1) together with the known compounds (2-7) were isolated from the Senegalese marine sponge Luffariella geometrica. Their chemical structures were established on the basis of spectroscopic methods 1D and 2D NMR, in addition to mass spectrometry and comparison with literature data.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76180094","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
Hypergolic Systems based on Hydrogen Peroxide Oxidizer 基于过氧化氢氧化剂的自燃系统
Earthline Journal of Chemical Sciences Pub Date : 2023-02-15 DOI: 10.34198/ejcs.10123.142
L. Türker
{"title":"Hypergolic Systems based on Hydrogen Peroxide Oxidizer","authors":"L. Türker","doi":"10.34198/ejcs.10123.142","DOIUrl":"https://doi.org/10.34198/ejcs.10123.142","url":null,"abstract":"Hydrogen peroxide, H2O2, is a promising and nontoxic oxidant. In recent years considerable attention has been paid to the development of hypergolic system compositions, because the use of them not only markedly simplifies the engine design and rocket system operation but also provides the possibility of their repeated use. Moreover, their high performance, high environmental compatibility and low toxicity make them highly preferable. The present review considers recent works on hypergolic systems involving hydrogen peroxide as the oxidizer and various green propellants of organic and inorganic nature with or without certain additives.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84101645","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
The Mechanism of Schiff Test for Uric Acid in Urine 尿中尿酸的希夫试验机制
Earthline Journal of Chemical Sciences Pub Date : 2023-02-15 DOI: 10.34198/ejcs.10123.4348
F. Sánchez-Viesca, Reina Gómez
{"title":"The Mechanism of Schiff Test for Uric Acid in Urine","authors":"F. Sánchez-Viesca, Reina Gómez","doi":"10.34198/ejcs.10123.4348","DOIUrl":"https://doi.org/10.34198/ejcs.10123.4348","url":null,"abstract":"Uric acid in urine can be detected by reaction with silver nitrate in alkaline medium. A redox reaction occurs and black elemental silver is observed in the filter paper used in this test. However, the mechanism of the series of steps occurring in the uric acid molecule, including a second redox reaction, has not been advanced. A reaction route is provided, each step is fully commented giving also the electron flow. The mechanism involves free radicals and ionic intermediates as well. There is ring contraction with concomitant oxo-aziridine formation, imide hydrolysis, imine hydration to carbinol-amine, isomerization to ketone with concurrently ring opening, and assisted decarboxylation.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80135391","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 and Characterization of the 2-(-(2-(-2-hydroxy-3-methoxybenzylideneamino)propylimino)methyl)-6-methoxyphenol dimanganese(III) Complex containing μ(O,O’)-nitrito-aqua Ligands 含μ(O,O ')-亚硝基水配体的2-(-(2-(-2-羟基-3-甲氧基苄基氨基)丙基)甲基)-6-甲氧基苯酚二锰配合物的合成与表征
Earthline Journal of Chemical Sciences Pub Date : 2023-01-30 DOI: 10.34198/ejcs.9223.267282
Alassane Saïdou Diallo, B. Traoré, M. Dieng, I. Thiam, S. Coles, J. Orton, M. Gaye
{"title":"Synthesis and Characterization of the 2-(-(2-(-2-hydroxy-3-methoxybenzylideneamino)propylimino)methyl)-6-methoxyphenol dimanganese(III) Complex containing μ(O,O’)-nitrito-aqua Ligands","authors":"Alassane Saïdou Diallo, B. Traoré, M. Dieng, I. Thiam, S. Coles, J. Orton, M. Gaye","doi":"10.34198/ejcs.9223.267282","DOIUrl":"https://doi.org/10.34198/ejcs.9223.267282","url":null,"abstract":"Single crystal of new nitrito bridged Mn(III) dinuclear compound {[Mn(L)(H2O)](μ-NO2)[Mn(L)(H2O)]}.(ClO4) has been synthesized in the absence of nitrite source. The compound was characterized by elemental analysis, IR spectroscopy and single crystal X‑ray diffraction. The compound crystallizes in the triclinic system in the space group P‑1 with a = 12.4175(3)Å, b = 13.6360(4) Å, c = 12.8207(5) Å, α = 74.876(3)°, β = 89.064(2)°, γ = 85.361(2)°, V = 2159.39(11) Å3, Z = 9, Dc = 1.489 Mg m-3. Each of the two ligand molecules encapsulates one Mn(III) ion in tetradentate fashion through two phenolate oxygen atoms and two azomethine nitrogen atoms. The two methoxy oxygen atoms of each ligand molecule remain uncoordinated. In the structure, each manganese(III) ion is situated in a N2O4 inner. The environment around each Mn(III) cation is best described as a distorted square pyramidal geometry, in which the equatorial plane is occupied by the atoms from the ligand molecule and the axial positions are occupied by one oxygen atom of a coordinated water molecule and one nitrito oxygen atom. The two Mn(III) ions are bridged though one μ1,3-nitrito group. Numerous intermolecular hydrogen bonds, established between water molecules as donors and phenoxo or methoxy oxygen atoms as acceptors, connect the dinuclear units into three-dimensional network.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79560725","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
Diazoxide and its Tautomers - A DFT Treatment 二氮氧化物及其互变异构体- DFT处理
Earthline Journal of Chemical Sciences Pub Date : 2023-01-05 DOI: 10.34198/ejcs.9223.249265
L. Türker
{"title":"Diazoxide and its Tautomers - A DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.9223.249265","DOIUrl":"https://doi.org/10.34198/ejcs.9223.249265","url":null,"abstract":"Diazoxide have several potential effectors that may potentially contribute to cardio protection. It is used to manage symptoms of hypoglycemia that is caused by pancreas cancer, surgery, or other conditions. It also acts as a non-diuretic antihypertensive agent. Diazoxide possessing various tautomeric forms should display variable biological properties depending on its tautomer content. It may exhibit 1,3- and 1,5-type proton tautomerism. Presently, all those possible tautomeric forms are considered. All the calculations have been performed within the realm of density functional theory with the constraints of B3LYP/6-311++G(d,p) level. All the tautomers are electronically stable and thermo chemically favorable formation values at the standard conditions. Some quantum chemical and spectral properties of those tautomeric systems as well as nucleus-independent chemical shift (NICS) values have been obtained and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88510231","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
Arsenic and Trace Metal Concentrations in Tissues of Two Economically Important Fish Species (Chrysichthys nigrodigitatus and Sarotherodon melanotheron) from Western Ebrie Lagoon, Côte d’Ivoire Côte科特迪瓦西部Ebrie泻湖两种重要经济鱼类(黑digitatus Chrysichthys和Sarotherodon melanotheron)组织中的砷和微量金属浓度
Earthline Journal of Chemical Sciences Pub Date : 2023-01-04 DOI: 10.34198/ejcs.9223.227247
Ayénan Marc-Olivier Togbé, K. M. Yao, Kakou Charles Kinimo, Kouamé Victor Kouamé, B. C. Atsé, A. Tidou
{"title":"Arsenic and Trace Metal Concentrations in Tissues of Two Economically Important Fish Species (Chrysichthys nigrodigitatus and Sarotherodon melanotheron) from Western Ebrie Lagoon, Côte d’Ivoire","authors":"Ayénan Marc-Olivier Togbé, K. M. Yao, Kakou Charles Kinimo, Kouamé Victor Kouamé, B. C. Atsé, A. Tidou","doi":"10.34198/ejcs.9223.227247","DOIUrl":"https://doi.org/10.34198/ejcs.9223.227247","url":null,"abstract":"Total concentrations of trace metals Hg, Cd, and Pb, and metalloid As were measured monthly (December 2014 to November 2015) in two fish species, Chrysichthys nigrodigitatus and Sarotherodon melanotheron at five sites in the western part of the Ebrie Lagoon (Côte d’Ivoire). Results indicated that Chrysichthys nigrodigitatus muscle accumulated significant amount of total Hg, Cd, and As than Sarotherodon melanotheron, while no significant difference was found for Pb. Average total Hg and As concentrations showed opposite spatial trends, while Pb and Cd registered no spatial variation in Chrysichthys nigrodigitatus. On contrary, insignificant seasonal variation was observed for average total Hg, Cd, Pb, and As concentrations in Sarotherodon melanotheron. In overall, Cd and Pb concentrations in fish exceeded the safety limits set by the European Commission in 10 to 40% of the total individuals, but the maximum safe weekly consumption values of fish estimated were very high and unlikely to be reached by local communities.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80558191","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
Some Tautomers of Amrinone and their Interaction with Calcium Cation - DFT Treatment 氨利酮的一些互变异构体及其与钙离子- DFT治疗的相互作用
Earthline Journal of Chemical Sciences Pub Date : 2022-12-07 DOI: 10.34198/ejcs.9223.209226
L. Türker
{"title":"Some Tautomers of Amrinone and their Interaction with Calcium Cation - DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.9223.209226","DOIUrl":"https://doi.org/10.34198/ejcs.9223.209226","url":null,"abstract":"Amrinone, is a pyridine phosphodiesterase 3 inhibitor. It is prescribed to patients suffering from congestive heart failure. In the present study, amrinone and it tautomers have been studied computationally within the limitations of the density functional theory and the basis set employed (B3LYP/6-31++G(d,p)). The calculations have also been extended to interaction of those tautomers with calcium cation. All the tautomers and their composites with the calcium cation are electronically and structurally stable. Some quantum chemical and spectral properties of those systems have been obtained and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73072803","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
Syntheses and Antioxidant Activity of 1-Isonicotinoyl-4-phenylthiosemicarbazide and Crystal Structures of N-Phenyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine Hydrochloride and 4-Phenyl-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione derived from 1 Isonicotinoyl-4-phenylthiosemicarbazide 1-异烟碱基-4-苯基硫代氨基脲的合成、抗氧化活性及n-苯基-5-(吡啶-4-基)-1,3,4-恶二唑-2-胺盐酸盐和由1-异烟碱基-4-苯基硫代氨基脲衍生的4-苯基-3-(吡啶-4-基)- 1h -1,2,4-三唑-5(4H)-硫酮的晶体结构
Earthline Journal of Chemical Sciences Pub Date : 2022-12-04 DOI: 10.34198/ejcs.9223.189208
Ndama Faye, Bédié Mbow, A. Gaye, Cheikh Ndoye, Mayoro Diop, Gregory Excoffier, M. Gaye
{"title":"Syntheses and Antioxidant Activity of 1-Isonicotinoyl-4-phenylthiosemicarbazide and Crystal Structures of N-Phenyl-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine Hydrochloride and 4-Phenyl-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione derived from 1 Isonicotinoyl-4-phenylthiosemicarbazide","authors":"Ndama Faye, Bédié Mbow, A. Gaye, Cheikh Ndoye, Mayoro Diop, Gregory Excoffier, M. Gaye","doi":"10.34198/ejcs.9223.189208","DOIUrl":"https://doi.org/10.34198/ejcs.9223.189208","url":null,"abstract":"The title compound C13H12N4OS (I) is synthetized from isonicotinic hydrazide and isothiocynate. Compounds C13H11N4OCl (II) and C13H10N4S (III) where obtained upon reaction of (I) with Fe(II) or Mn(II) salts. Compound (II) is heterocyclic 1,3,4-oxadiazole while compound (III) is heterocyclic 1,2,4-triazole. The 1,3,4-oxadiazol derivative is almost planar with dihedral angle of 2.66 (8) and 5.14 (8)° between 1,3,4-oxadiazole ring and phenyl and pyridinium rings respectively; the dihedral angle between the phenyl and pyridinium rings is 3.92 (8)°. The 1,2,4-triazole derivative is non-planar. The phenyl and pyridyl rings form dihedral angles of 58.35 (5) and 58.33 (5)°, respectively, with the 1,2,4-triazole ring; the dihedral angle between the phenyl and pyridyl rings is 36.85 (4)°. In the compound (II) intramolecular hydrogen bonds of type N—H···Cl, C—H···N and C—H···Cl resulting in S(6) ring stabilize the structure. Intermolecular hydrogen bonds of type N—H···N, C—H···N, C—4···Cl link the molecule thus forming a three-dimensional network. In the structure of compound (III), intermolecular hydrogen bonds of type N—H···N, C—H···N, C—H···S1,link the monomer in a three-dimensional network.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84267398","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
Interaction of DMAZ and TEMED - A DFT Treatise DMAZ与TEMED相互作用的DFT研究
Earthline Journal of Chemical Sciences Pub Date : 2022-11-11 DOI: 10.34198/ejcs.9223.163176
L. Türker
{"title":"Interaction of DMAZ and TEMED - A DFT Treatise","authors":"L. Türker","doi":"10.34198/ejcs.9223.163176","DOIUrl":"https://doi.org/10.34198/ejcs.9223.163176","url":null,"abstract":"In the present study, interaction of DMAZ and TEMED has been investigated within the limitations of density functional theory at the level of B3LYP/6-31++G(d,p). DMAZ is an explosive material but it is also oxidant constituent of some hypergolic systems. TEMED or TEMEDA acts as the partner of DMAZ. The interaction has been investigated and the findings reveal that in the absence of any hypergolic reaction, the interaction is of mainly electrostatic in nature, no bond cleavages or new bond formations happen. The variations are only of conformational in character. The composite is electronically stable in the static conditions and thermally favorable. Some quantum chemical, electronic and spectral data have been collected and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2022-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75343504","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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