Asian Journal of Chemical Sciences http://journalajocs.com/index.php/AJOCS <p style="text-align: justify;"><strong>Asian Journal of Chemical Sciences (ISSN: 2456-7795)</strong> aims to publish high quality papers (<a href="/index.php/AJOCS/general-guideline-for-authors">Click here for Types of paper</a>) in all aspects of Chemical Sciences. The journal also encourages the submission of useful reports of negative results. This is a quality controlled, OPEN peer reviewed, open access INTERNATIONAL journal.&nbsp;</p> SCIENCEDOMAIN international en-US Asian Journal of Chemical Sciences 2456-7795 Comparative Study of CBS-Q Calculated and Experimental pKa Values for Fluoro-Acetoxy Derivative http://journalajocs.com/index.php/AJOCS/article/view/18991 <p>The pKa values were calculated for some acetoxy group molecules using CBS-Q method which is one of the Complete Basis Set methods to find accurate energies. The acetoxy group molecules were also planned by Quantitative Structure Activity Relationship (QSAR) to study their effect on paraoxonase1 activity.</p> <p>The results of this study showed a strong relationship, (R<sup>2</sup>=0.99) between the calculated and experimental pka, also showed correlations between the activity of the enzyme and some of the studied descriptors. Moreover, the results of the study revealed that by using the SPSS program, there is a correlation between LUMO, Softness, Nucleofugality and Electrofugality as dependent variables and Cal. pKa as an independent variable.</p> Mustafa Lawar Safia Elbadwe Ismail Yalçin Kayhan Bolelli Hakan Sezgin Sayiner Fatma Kandemirli ##submission.copyrightStatement## 2019-05-18 2019-05-18 1 12 10.9734/ajocs/2019/v6i218991 Intrinsic Viscosity-molecular Weight Relationship of Poly (Hexanediol Adipate) http://journalajocs.com/index.php/AJOCS/article/view/18992 <p>In this work, a series of poly(Hexanediol adipate)(PHA) samples (10<sup>3</sup><<em>M</em><sub>n</sub><10<sup>4</sup>) with narrow molecular weight distribution were prepared by the polymerization between adilic acid and 1,6-hexandiol. End-group analysis was applied to determine the number average molecular weight (<em>M</em><sub>n</sub>) of PHA. Gel permeation chromatography (GPC) was employed to obtain the average molecular weights (<em>M</em><sub>n</sub>, <em>M<sub>v</sub></em>, <em>M</em><sub>w</sub>).The intrinsic viscosity of the samples in the tetrahydrofuran (THF) solution was determined at 298 K by the dilution extrapolation method and the one-point method. The relationship between the intrinsic viscosity and the molecular weight for PHA was studied by the Mark-Houwink-Sakurada (MHS) equation, and the parameters of equation were determined.</p> Jiankun Li Zegang Zong Dehua Hou Bojun Tu Weilan Xue Zuoxiang Zeng ##submission.copyrightStatement## 2019-05-30 2019-05-30 1 8 10.9734/ajocs/2019/v6i218992 Predictive Modeling of the Human Hepatoma (Huh-7D12) Cancer Line of a Series of bis- (5-arylidene-rhodanine-3-yl) Diamine http://journalajocs.com/index.php/AJOCS/article/view/18993 <p>This work deals with the prediction of the antiproliferative activity of eighteen (18) substances derived from bis-5-arylidene rhodanine against human hepatoma tumor line (Huh-7D12). By applying the functional density theory (DFT) method to the B3LYP / 6-31G (d, p) level, theoretical descriptors were determined and correlated with antiproliferative (Huh-7) activity by linear regression multiple (RML). This correlation has shown that the electron energy, the energy of the lowest vacant molecular orbital (E<sub>LUMO</sub>) and the molecular volume (VM) are the quantum and geometric descriptors that best influences the antiproliferative activity of the molecules studied. The coefficient of determination R<sup>2</sup> indicates that 97.9% of the molecular descriptors defining this model are taken into account with a standard deviation of 0.015. The significance of the model reflected by the Fischer test is estimated at 123.648. The robustness of the model given by the cross-validation correlation coefficient (Q<sup>2</sup><sub>CV</sub>) is 97.9%. This model has been validated by Tropsha criteria. The very good correlation between these three descriptors and the Huh-7 activity was confirmed by the nonlinear multiple regression (RNML) method with better statistical data. (R<sup>2</sup> = 0,998&nbsp;; Q<sup>2</sup><sub>CV</sub> = 0,998&nbsp;; RMSE = 0,006).</p> Koffi Alexis Respect Kouassi Anoubilé Benié Mamadou Guy-Richard Koné Wacothon Karime Coulibaly Kouadio Valery Bohoussou Adenidji Ganiyou ##submission.copyrightStatement## 2019-06-27 2019-06-27 1 11 10.9734/ajocs/2019/v6i218993 Phytochemical Screening and Antimicrobial Activity of Kenyan Mushroom Ganoderma lucidum http://journalajocs.com/index.php/AJOCS/article/view/18994 <p><strong>Aim: </strong>To screen the Kenyan <em>Ganoderma lucidum</em> for phytochemicals and to investigate it's potential in the management of some disease-causing microbes.</p> <p><strong>Study Design: </strong>Hexane, ethyl acetate and methanol extraction; phytochemical study and anti-microbial activities were analysed on Kenyan <em>G</em>. <em>lucidum</em> mushroom.</p> <p><strong>Place and Duration of Study: </strong>Masinde Muliro University Science laboratories from January 2019 and March 2019.</p> <p><strong>Methodology: </strong>Sequential extraction of dried samples was done using hexane, ethyl acetate and methanol. The crude extracts were assayed against <em>Escherichia coli, Klebsiella pneumoniae, Methicillin-Resistant Staphylococcus aureus (MRSA), </em><em>Pseudomonas aeroginosa, and Creptococcus neoformans </em>using agar well diffusion method. Ampicillin and nystatin were respectively used as controls for bacteria and fungi. Zones of inhibition measured signified the antimicrobial activity.</p> <p><strong>Results: </strong>The following group of compounds were present in the mushroom; terpenoids, carbohydrates, phenolic compounds, glycosides and polyoses. Hexane and methanol extracts showed significant activity at (P= 0.022) against MRSA while ethyl acetate extract was active against <em>Streptococcus pyogenes</em> (P=0.05).</p> <p><strong>Conclusion:</strong> Kenyan <em>Ganoderma lucidum</em> contains terpenoids, carbohydrates, phenolic compounds, glycosides, flavonoids and phytosterols. Crude extracts (hexane, ethyl acetate and methanol) were active against <em>MRSA</em> and <em>S</em>treptococcus <em>pyogenes.</em></p> Ebrahim Sande Danstone Lilechi Baraza Selline Ooko Nyongesa Peter Kuloba Lilian Shiyenzi ##submission.copyrightStatement## 2019-07-20 2019-07-20 1 6 10.9734/ajocs/2019/v6i218994 Determination of Some Heavy Metals (Cu, Co, Ni) in Edible Clay from South Eastern Nigeria and Its Effect Due to Consumption http://journalajocs.com/index.php/AJOCS/article/view/18995 <p>Determination of heavy metal contents in edible clay (kaolin) from Enyigba in Abakaliki, Ebonyi State of Nigeria was carried out using Atomic absorption Spectrophotometer (AAS). The quantitative analysis of heavy metal analyzed in the edible clay sample were 0.012 mg/kg for Co, 0.113 mg/kg for Cu and 0.712 mg/kg for Ni. This study shows that the levels of these heavy metals (Co, Cu and Ni) in kaolin are below the permissible limits as established by the regulatory organization (World Health Organization, WHO). Compared to the safety intake levels for these heavy metals recommended by US Environmental Protection Agency (US EPA) and Joint FAO/WHO Expert Committee on Food Additives (JECFA), Expert Group on Vitamins and Minerals (EVM), and Agency for toxic substance and disease Registry (ATSDR), the dietary intakes of the three heavy metals from daily consumption of 20 g of kaolin should pose no health risk to human.</p> C. M. Ekuma T. C. Ogunyemi ##submission.copyrightStatement## 2019-07-30 2019-07-30 1 7 10.9734/ajocs/2019/v6i218995