Earthline Journal of Chemical Sciences https://earthlinepublishers.com/index.php/ejcs <p style="text-align: justify;">The Earthline Journal of Chemical Sciences (e-ISSN: 2581-9003) (CODEN: EJCSB4) is a peer-reviewed international journal devoted to publishing original research articles, review articles as well as short reports containing substantial contributions in any direction of Chemical Sciences. The major areas covered by the journal include, but are not limited to, the following:&nbsp;Agricultural Chemistry, Analytical Chemistry, Biochemistry, Catalysis, Clinical Chemistry, Corrosion Chemistry, Environmental Chemistry, Food Chemistry, Green Chemistry, Industrial Chemistry, Inorganic Chemistry, Materials Chemistry, Molecular Chemistry, Organic Chemistry, Petrochemistry, Pharmaceutical Chemistry, Physical Chemistry, Phytochemistry, Polymer Chemistry, Structural Chemistry, Supramolecular Chemistry. Articles based on Chemical Engineering, Mathematical Chemistry and Chemical Education are also welcome.&nbsp;</p> Earthline Publishers, Madanambedu, Chittoor, Andhra Pradesh, India en-US Earthline Journal of Chemical Sciences 2581-9003 <p><img src="/public/site/images/ejcs/88x311.png"><br>This work is licensed under a <a href="http://creativecommons.org/licenses/by/4.0/" rel="license">Creative Commons Attribution 4.0 International License</a>.</p> Some Ions of Hexamethylene Triperoxide Diamine - A DFT Treatment https://earthlinepublishers.com/index.php/ejcs/article/view/478 <p>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-CH<sub>2</sub> bonds. Some quantum chemical properties and UV-VIS spectra of HMTD and the decomposed products were obtained and discussed.</p> Lemi Türker Copyright (c) 2022-03-03 2022-03-03 8 1 1 12 10.34198/ejcs.8122.112 Study of DNA/RNA Aggregation Linked to Cadmium Oxide (CdO) Nanoparticles by Aryl Mercaptanes with Various Chain Length https://earthlinepublishers.com/index.php/ejcs/article/view/483 <p>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.</p> <p><img src="/public/site/images/ejcs/2022-03-08_21_19_53-Proofs_-_EJCS-2202384_-_Microsoft_Word.png"></p> <p>Schematic of Cadmium Oxide (CdO) Nanoparticles Aggregation Linked to DNA/RNA by Aryl Mercaptanes with Various Chain Length.</p> Alireza Heidari Copyright (c) 2022-03-08 2022-03-08 8 1 13 34 10.34198/ejcs.8122.1334 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 https://earthlinepublishers.com/index.php/ejcs/article/view/484 <p>The use of 2-{[2-(2-hydroxybenzylideneamino)phenylimino]methyl}phenol (H<sub>2</sub>L) in metal transition&nbsp; 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 H<sub>2</sub>L 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)].[Cu<sub>2</sub>(L)(L')]}.(ClO<sub>4</sub>). The structure of the complex was solved by single crystal X-ray crystallography. In the mononuclear unit, the Cu<sup>2+</sup> atom is coordinated by one dideprotonated&nbsp; molecule of the ligand acting in tetradentate fashion. In the&nbsp; dinuclear unit, one the Cu<sup>2+</sup> atom is coordinated by one dideprotonated&nbsp; molecule of the ligand acting in tetradentate fashion and the other Cu<sup>2+</sup> is coordinated by the monodeprotonated (2-((2-aminophenylimino)methyl)phenol (HL') acting in tridentate fashion. The two Cu<sup>2+</sup> are bridged by the two phenoxo oxygen atoms of the dideprotonated&nbsp; molecule of the ligand. The complex crystallizes in the triclinic space group <em>P</em>ī 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) Å<sup>3</sup>, Z = 2, R<sub>1</sub> = 0.037, wR<sub>2</sub> = 0.041. The supramolecular structures are consolidated by multiple hydrogen bonds.</p> Ngoné Diouf Ibrahima Elhadj Thiam Rokhaya Sylla-Gueye Pascal Retailleau Mohamed Gaye Copyright (c) 2022-03-09 2022-03-09 8 1 35 52 10.34198/ejcs.8122.3552 Effect of Nitro-Iodyl Group Replacement on TNT - A DFT Treatment https://earthlinepublishers.com/index.php/ejcs/article/view/491 <p>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.</p> Lemi Türker Copyright (c) 2022-03-25 2022-03-25 8 1 53 67 10.34198/ejcs.8122.5367 On the Chemistry of Hammarsten Test for Indican in Urine https://earthlinepublishers.com/index.php/ejcs/article/view/507 <p>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.</p> Francisco Sánchez-Viesca Reina Gómez Copyright (c) 2022-04-23 2022-04-23 8 1 69 75 10.34198/ejcs.8122.6975 Mononitro-monoperchlorylbenzenes - A DFT Treatment https://earthlinepublishers.com/index.php/ejcs/article/view/509 <p>Perchloryl derivatives, especially aromatic ones have some explosive character and decompose explosively when they are initiated. In the present study, <em>ortho</em>, <em>meta</em> and <em>para</em> nitro isomers of perchlorylbenzene have been considered within the framework of density functional theory at the level of B3LYP/6-311++G(d,p). The results have indicated that they are electronically stable such that the <em>para</em> isomer is more stable than the others whereas the ortho isomer is the least stable of all. Various quantum chemical properties of these isomers are harvested and discussed. The calculated UV-VIS spectra of the isomers have been obtained and the impact sensitivity order is estimated as <em>meta&nbsp;&lt;&nbsp;para&nbsp;</em>&lt; <em>ortho</em>. Also nucleus independent chemical shifts values for the isomers are calculated which yield the aromaticity order of <em>ortho&nbsp;</em>&gt;&nbsp;<em>meta</em>&nbsp;&gt;&nbsp;<em>para</em>.</p> Lemi Türker Copyright (c) 2022-04-28 2022-04-28 8 1 77 95 10.34198/ejcs.8122.7795 Assessment of Polybrominated Diphenyl Ethers (PBDEs) Level and Physico-Chemical Characteristics of Water and Sediment of Gulf of Guinea https://earthlinepublishers.com/index.php/ejcs/article/view/513 <p>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.</p> O. H. Oladejo A. O. Nubi R. Adesina O. O. Oyatola B. O. Bassey Copyright (c) 2022-05-04 2022-05-04 8 1 97 114 10.34198/ejcs.8122.97114