To Chemistry Journal https://purkh.com/index.php/tochem <p><strong><em>To Chemistry Journal</em></strong> is a peer-reviewed journal that publishes original research articles as well as review articles on all aspects of fundamental and applied chemistry.</p> PURKH en-US To Chemistry Journal 2581-7507 <p>The author warrants that the article is original, written by stated author(s), has not been published before, contains no unlawful statements, does not infringe the rights of others, is subject to copyright that is vested exclusively in the author and free of any third party rights, and that any necessary written permissions to quote from other sources have been obtained by the author(s).</p> Editorial to Volume 4 (2019) https://purkh.com/index.php/tochem/article/view/649 <p>On behalf of the Editorial Board, it is with great pride and sincere privilege that I am writing this message to present the volume 4 (2019) of the&nbsp;to chemistry journal. The issue comes from a long process, and we took all the necessary steps to make it a high-caliber scientific publication. We are relying on the collaboration of all our Editors, reviewers, and contributors to make it a contemporary, lively, and relevant publication.</p> Dr. Sumit Kumar Copyright (c) 2019-12-30 2019-12-30 4 Annual Reviewer Acknowledgement https://purkh.com/index.php/tochem/article/view/632 <p>The Editorial team of the journal would like to thank the following reviewers for their work in refereeing manuscripts during 2019.</p> Dr. Sumit Kumar Copyright (c) 2019-12-21 2019-12-21 4 Influence of The Distribution of Gas Molecules by Temperature on The Rate of Gas-Forming Reactions https://purkh.com/index.php/tochem/article/view/534 <p>A method is proposed for calculating the temperature distribution of gas molecules depending on the gas temperature &nbsp;. The method consists of determining the mean free path of molecules that characterizes the gas temperature, at which the maximum number of molecules with temperature , and then the desired distribution. The results show that at a given gas temperature, the total mass of molecules contains a large number of molecules whose temperatures are much different from the total gas temperature. From this, it follows that the ceramic technology of synthesis in principle does not allow us to obtain highly pure substances.</p> Boris Georgievich Golovkin Copyright (c) 2019 Boris Georgievich Golovkin http://creativecommons.org/licenses/by/4.0 2019-12-17 2019-12-17 4 1 7 Biosorption Study of Zn(Ii), Cu(Ii), Pb(Ii) And Cd(Ii) Ions by Palm Leaves Activated Carbon https://purkh.com/index.php/tochem/article/view/544 <p class="Default" style="margin-bottom: 12.0pt; text-align: justify;">The aim of the present study is to investigate the efficiency of palm leaves activated carbon on the removal of lead (Pb), zinc (Zn), copper (Cu), and cadmium (Cd) from the aqueous solution. The effect of various process parameters such as pH (2 – 10), initial metal ion concentration (50 – 1000 mg/L), particle size (125, 500, 800 μm), and temperature (303, 313, 323 K) was studied using batch adsorption technique. Thermodynamic parameters were also evaluated. The maximum metal ion removal efficiency of 94.5, 94.1, 87.4, and 90.7% for Pb, Cd, Zn, and Cu, respectively, was reached at an optimum pH of 5, biosorbent dosage of 1.0 g, and initial metal ion concentration of 50 ppm. The Freundlich adsorption isotherm model best described the removal of metal ions on palm leaves activated carbon with high correlation coefficients (0.98 – 1.00). The adsorption process was found to be favorable since the intensity of adsorption, n lies within 1 to 10. The adsorption capacity values were 40.0, 38.3, 38.0, and 40.00 mg/g for lead (Pb), zinc (Zn), copper (Cu), and cadmium (Cd), respectively. The metal ion adsorption was also found to be endothermic in nature. The efficiency was increased with an increase in temperature implying the process should be performed at a controlled temperature</p> Khaled Muftah Elsherif Aisha Khalifa Ali Abdulfattah Mohammed Alkherraz Abdelmeneim El-Dali Copyright (c) 2019 Khaled Muftah Elsherif, Aisha Khalifa Ali, Abdulfattah Mohammed Alkherraz http://creativecommons.org/licenses/by/4.0 2019-12-17 2019-12-17 4 8 17 High Performance Liquid Chromatography-Size Exclusion Chromatography (Hplc-Sec) As an Efficient Tool for The Quantification of Polymers https://purkh.com/index.php/tochem/article/view/550 <p>Poly (lactide-co-glycolide acid) ( PLGA) is an extraordinary well-described polymer and has excellent pharmaceutical properties like high biocompatibility and good biodegradability. Hence, it is one of the most used materials for drug delivery and biomedical systems, also being present in several US Food and Drug Administration approved carrier systems and therapeutic devices. For both applications, the quantification of polymer is important. During the development of the production process, parameters like yield or loading efficacy are essential to be determined. Although PLGA is a well-defined biomaterial, it still lacks a sensitive and convenient quantification approach for PLGA-based systems. Thus, we present a new method for fast and precise quantification of PLGA by HPLC-SEC. The method includes a shorter run time of 20 minutes with a size exclusion column of 300mm x 8.0mm diameter, tetrahydrofuran as mobile phase and diluent, the detection was carried out using the refractive index detector. The developed method has a detection limit of 0.1 ppm, enabling the quantification of low amounts of PLGA. Compared to existing approaches, like gravimetric or nuclear magnetic resonance measurements, which are tedious or expensive, the developed method is fast, ideal for routine screening and it is selective since no interference. The developed method is validated in terms of selectivity, precision, linearity, accuracy and solution stability. Due to the high sensitivity and rapidity of the method, it is suitable for both, laboratory and industrial use &nbsp;&nbsp;</p> Shripad Deepak D. Kayande Mazahar Farooqui Parag Deshmukh Copyright (c) 2019 Shripad http://creativecommons.org/licenses/by/4.0 2019-12-17 2019-12-17 4 18 24 Theoretical Study of Quinoline Aza Oxa Thia 17-Crown -6 Complexes: NICS Aromaticity https://purkh.com/index.php/tochem/article/view/559 <p>Complexation of quinoline aza oxa this 17-crown-6 (<strong>L</strong>) with some metal cations (K<sup>+</sup>, Na<sup>+</sup>, Li<sup>+</sup>, Mg<sup>2+</sup>) was studied through computational methods. Hartree-Fock method was employed to identify structure and thermodynamical binding constant of crown and metal ions complexes. The calculations were conducted at the HF/6-31g and HF/Lanl2DZ levels of theory. According to the obtained data Mg<sup>2+</sup> ion formed the most stable complex with crown and equilibrium binding constants of complex formation has the following order: L. K<sup>+</sup> &lt; L. Na<sup>+</sup> &lt;L. Li<sup>+</sup> &lt;L. Mg<sup>2+</sup>. In order to verify the physical properties of free crown and complexes some important physical properties including band gap, energy, hardness and dipole moments were obtained and discussed. The electron distribution over the free crown and its L. Mg<sup>2+</sup> complex was studied which showed that in the free crown and its L. Mg<sup>2+</sup> complex, Highest Occupied Molecular Orbital (HOMO) were distributed mainly over the sulfur atom. For both of them Lowest Unoccupied Molecular Orbital (LUMO) were distributed over aromatic rings. HOMO and LUMO orbitals in L. Mg<sup>2+</sup> complex was not distributed over Mg<sup>2+</sup> ion and the ion remained bare. Also, atomic charges and charge transfer between donors and acceptors were studied using natural bond orbital analysis (NBO). The charge of Mg<sup>2+</sup> ion in the complex is 1.69095 e. In order to study the effect of complex formation and structural changes on the aromaticity of rings, Nuclear Independence Chemical Shift (NICS) and aromaticity were obtained and discussed.</p> Esmael Rostami Nosrat Daryapour Roya Afsharpour Copyright (c) 2019 esmael rostami, Nosrat Daryapour, Roya Afsharpour http://creativecommons.org/licenses/by/4.0 2019-12-17 2019-12-17 4 25 36 Analysis of Trace and Essential Elements, Phenolic and Flavonoid Compounds in Libyan Honey Samples Collected from Misurata Markets https://purkh.com/index.php/tochem/article/view/567 <p>Honey is a popular natural food product with a very complex composition comprising both organic and inorganic constituents. The composition of particular honey is strongly influenced by both natural and anthropogenic factors, which vary based on its botanical and geographical origins. It is observed that although the honey which are produced in Libya are of a good quality, it does contain heavy metals. The contents of the metals found in Libyan honey samples were found to be between 465.1-792 mg/kg for Na, 1100.8-1781.6 mg/kg for K, 927.79-1186.6 mg/km for Ca, 0.0033- 0.0177 mg/kg for Cd, 0.0029- 0.0241mg/kg for Pb, 0.0012- 0.0042mg/kg for Cr, 0.004-0.032 mg/kg for Cu, 0.72-1.37 mg/kg for Ni and 3.677-7.430 mg/kg for Zn. These results indicated that the quality of the Libyan honey samples tested was very good and matched the world standard properties of honey. Also, the Libyan honey samples examined have a high level of phenolic (792- 99 mg/kg ) and flavonoid (1012-687mg/kg) compounds compared with other honey</p> Mohamed Elbagerma Howell Edwards Jamal Mayouf Tahani Twaish Copyright (c) 2019 Mohamed Elbagerma, Howell Edwards, Jamal Mayouf, Tahani Twaish http://creativecommons.org/licenses/by/4.0 2019-12-17 2019-12-17 4 37 46 Imidazole and its Saturated Derivatives Vs Pyrazole and it Saturated Derivatives: A Computational Study on Relative Stability https://purkh.com/index.php/tochem/article/view/580 <p>Possible structures of imidazole, pyrazole, and their semi saturated and fully saturated derivatives have been studied at the DFT and ab initio computational levels. Calculations have been performed using several computational schemes (BLYP, PBE0, CAM-B3LYP, wB97XD, M06, MP2, CBS-QB3, and G4 methods have been employed) and the 6-311++G** basis set. The most stable structures for each group of studied compounds (tautomers of native imidazole and pyrazole, tautomers of their semi saturated derivatives, and fully saturated derivatives) have been determined. In general species with imidazole ring are more stable than those with pyrazole one. The discussion of this phenomenon origin, especially the influence of aromaticity as well as distributions of total charge and energy among atoms are thoroughly discussed.</p> Krzysztof Kazimierz Zborowski Copyright (c) 2019 Krzysztof Kazimierz Zborowski http://creativecommons.org/licenses/by/4.0 2019-12-17 2019-12-17 4 47 71 Mixed-Ligand Complexes of Co(II), Ni(II) And Cu(II) with Mercaptosuccinic Acid And 1, 10-Phenanthroline in Dimethylformamide Media https://purkh.com/index.php/tochem/article/view/585 <p>The ternary systems of Co(II), Ni(II) and Cu(II) complexes with Mercaptosuccinic acid as Primary Ligand and 1, 10-Phenanthroline as Secondary Ligand are investigated. The stability constants of the complexes were determined pH metrically in Dimethylformamide medium at 303K and <em>I </em>= 0.16 mol/L NaCl. The predominant species detected are MLX, ML<sub>2</sub>X, MLXH and MLX<sub>2</sub>H. Models containing different numbers of species were refined by using the computer program MINIQUAD75. The best-fit chemical models were arrived at based on statistical parameters. The relative stabilities of the ternary complexes and species distributions of all complexes in solution were evaluated.</p> Tejeswara Rao Voonna Pushpa Raju Gali Lakshmi Kishore Pilli Nageswara Rao Gollapalli Copyright (c) 2019 Tejeswara Rao Voonna, PUSHPA RAJU GALI, LAKSHMI KISHORE PILLI, Nageswara Rao Gollapalli http://creativecommons.org/licenses/by/4.0 2019-12-17 2019-12-17 4 86 93 Status of Phosphorous in Soil and Plants of Apple Orchads in Quetta Valley https://purkh.com/index.php/tochem/article/view/620 <p>The study was planned to assess the phosphorous status of apple orchards around Quetta valley through soil and plant analysis. Two hundred soil samples were acquired from 40 different locations of 05 orchards at &nbsp;0-15, 15-30, 30-45, 45-60, 60- 75 and 75-90 cm depths. The soil samples were analyzed for available phosphorous by AB-DTPA method. At the same time forty apple trees were selected for leaves samples and analyzed for plant phosphorous content by Rhoades, 1982 .AB-DTPA phosphorous in soil showed a sizeable variation ranging from 0.24 to 14.46 mg kg<sup>-1</sup>. Whereby plant analysis registered minimum phosphorous content 0.06% and the maximum phosphorous content 0.47% in apple plant leaves which confirms phosphorous concentration found deficient in apple orchards of Quetta valley.</p> Muhammad Arshad Ullah Zubair Rehman Syed Ishtiaq Hyder Ahmad Khan Rizwan Ahmad Copyright (c) 2019 Muhammad Arshad Ullah http://creativecommons.org/licenses/by/4.0 2019-12-21 2019-12-21 4 94 98 Palm Ash as a Pozzolanic Material for Portland Cement Pastes https://purkh.com/index.php/tochem/article/view/581 <p>The effect of the substitution of palm ash (PA) on the physico-chemical and mechanical properties of Portland cement pastes (OPC) was clearly evaluated. Results showed that as the PA content increased, the fineness as well as the heat of hydration of the whole mix increased too.&nbsp; The water of consistency (WC) and set times (ST) decreased with the increase of PA content due to the presence of the water reducing admixture. The bound water content (BWn), bulk density (BD) and compressive strength (CS) improved and enhanced up to 20 % PA content, and then decreased onward at all hydration periods, while the total porosity decreased and then increased. Above 20 % PA content, all properties were adversely affected. The free lime content (FLn) of the OPC increased continuously up to 90 days, but decreased with PA content. The FTIR spectra illustrated that there is a large amount of free lime content with P0 (OPC), but it gradually decreased with PA content. The SEM microscopy demonstrated the formation of ettringite phase and aggregates of CSH in addition to free lime. In the case of PA blended cement pastes the ettringite was disappeared completely and well-defined crystals were detected</p> Hassan Darwish M. R. Abo El-Suoud Copyright (c) 2019 Hassan Darwish, M. R. Abo El-Suoud http://creativecommons.org/licenses/by/4.0 2019-12-30 2019-12-30 4 72 85