Eurasian Science Society (ESS)Journal of Chemistry Letters2821-01234120230101Optimization of used cottonseed oil methyl ester production using response surface methodology22916002110.22034/jchemlett.2022.359738.1082ENABDULLATEEF JIMOHChemistry department KOGI STATE COLLEGE OF EDUCATION ANKPA, NIGERIA0000-0002-3240-9682Journal Article20220829Biodiesel is the term for used cottonseed oil (UCSO), animal fat, and vegetable oil monoalkyl ester. Because of its similar and compatible fuel qualities to diesel fuel, biodiesel purchased from UCSO is becoming more and more significant as a replacement fuel for use in diesel engines. The amount of free fatty acids (FFA) determines how biodiesel is produced from oil. In this study, the titration method was used to determine the FFA values of crude cottonseed oil (CCSO) and previously UCSO. These values were 0.56 % and 1.26 %, respectively. Heterogeneous alkali-catalyzed transesterification is used to convert UCSO into biodiesel. It includes mixing methanol with raw UCSO in the presence of heterogeneous catalysts such as a blend of calcined, hydrated, and dehydrated eggshells and coconut shells that makes up the CaO. Alkali-based transesterification was discovered to be the most appropriate technology to extract the biodiesel, hence the UCSO has been chosen for the current investigation. The methanol-oil ratio, reaction temperature, reaction time, and catalyst concentration are some of the reaction factors that control the transesterification process. The Box-Behnken Design Response Surface Methodology was used to optimize the aforementioned parameters. Plots of the response surface and contour have been made among numerous factors that affect the generation of biodiesel. A 1:10 molar ratio, 2.5 wt. % catalyst concentration, 80 minutes of reaction time, and a reaction temperature of 60 °C results in an optimum UCSOmethyl ester yield of 93.60 %. The experimental yield, which was calculated after the optimized yield, was found to be 94.50 % based on these parameters, demonstrating the effectiveness of the Response Surface Methodology as a tool for optimizing yield.https://www.jchemlett.com/article_160021_b8aca425f4b681d818c394b06d7ba1b5.pdfEurasian Science Society (ESS)Journal of Chemistry Letters2821-01234120230101Determination of sulphite in wine samples with the aid of three different analytical techniques303715433310.22034/jchemlett.2022.351711.1077ENKingsley ChinonsoSundayDepartment of Pure and Industrial Chemistry, Nnamdi Azikiwe University, P.M.B. 5025, Awka, NigeriaPatrick EnunekuOmukuDepartment of Pure and Industrial Chemistry, Nnamdi Azikiwe University, P.M.B. 5025, Awka, NigeriaCollins ChibuzorOdidikaDepartment of Pure and Industrial Chemistry, Nnamdi Azikiwe University, P.M.B. 5025, Awka, NigeriaEbuka ChizitereEmenikeDepartment of Pure and Industrial Chemistry, Nnamdi Azikiwe University, P.M.B. 5025, Awka, NigeriaSteve O.EshiemogieDepartment of Chemical Engineering, University of BeninKingsley O.IwuozorDepartment of Pure and Industrial Chemistry, Nnamdi Azikiwe University, P.M.B. 5025, Awka, Nigeria0000-0002-1161-2147Journal Article20220714This study comparatively analyzed the free and total sulphite in thirty wine samples divided into alcoholic wines, non-alcoholic wines, and fruit juice wines using three analytical techniques, namely, the titrimetric method, the spectrophotometric technique, and the chromatographic technique (HPLC). All the wine samples using the three different analytical techniques were below the permissible limit of sulphite in wine samples as stated by regulatory bodies. Analyzing the free sulphite concentration in the wine samples gotten from the spectrophotometric analysis, it can be seen that alcoholic wine had the least free sulphite concentration (11.11–14.65 mg/10 ml). The total sulphite concentration was also found to be lowest in the alcoholic wine samples (24.49–33.62 mg/10 ml for the Spectrophotometric method; 31.21–39.26 mg/10 ml for the HPLC method; and 31–38.71 mg/10 ml for the titrimetric method). It was observed that fruit juice wines contain the highest concentration of sulphite (both free and total sulphite), followed by non-alcoholic wines, and then alcoholic wines. Statistical data analysis of the experimental results obtained for the study showed that the titrimetric technique had the highest accuracy for the determination of total sulphite in the three groups of samples, the spectrophotometric technique had the highest accuracy for the determination of free sulphite in alcoholic and non-alcoholic wines, and HPLC had the highest accuracy for the determination of free sulphite in fruit juice wines.https://www.jchemlett.com/article_154333_f5aecb515e7f72302aadf92630da8495.pdfEurasian Science Society (ESS)Journal of Chemistry Letters2821-01234120230101Synthesized iron oxide nanoparticles from Acacia nilotica leaves for the sequestration of some heavy metal ions in aqueous solutions385116586510.22034/jchemlett.2023.360137.1083ENPAUL OchejeAMEHDepartment of Chemistry; Faculty of Sciences, Nigeria Police Academy Wudil Kano State Nigeria0000-0002-7050-6715Journal Article20220901A batch adsorption system was applied to study the adsorption of Cd (II) , Co(II) and Pb(II) ions from aqueous solutions by iron oxide nano particle (IONP) synthesized from Acacia nilotica plant leaves. The influence of various operating parameters such as contact time, temperature, pH, adsorbent dosage and initial concentration of metal ions and on the adsorption capacity of IONP was investigated. The synthesized adsorbent was characterized by Energy Dispersive X-ray spectroscopy (EDX), Scanning Electron Microscopy (SEM), Fourier Transform Infrared (FT-IR) and X-Ray Diffraction (XRD). Results obtained clearly show that IONP is an effective adsorbent for the removal of the studied metal ions from aqueous solutions. The ease of adsorption of the studied metals onto IONP was found to be in this order: Co (II) > Cd (II) > Pb (II). The kinetic data corresponded well with the pseudo-second order equation, suggesting that the adsorption process is presumably achemisorption. The values oobtained from the thermodynamic parameters (〖∆G〗_ads^0, 〖∆S〗_ads^0, and 〖∆H〗_ads^0) established that the adsorption process is feasible and endothermic in nature. The adsorption equilibrium data best fitted Freundlich adsorption isotherm. IONP may be a cost-effective alternative for waste water treatmenthttps://www.jchemlett.com/article_165865_502f471b9420232048a4fc41d9fb7307.pdfEurasian Science Society (ESS)Journal of Chemistry Letters2821-01234120230101Theoretical Investigation and Design of Novel Cephalosporin Based Inhibitors of a DD-carboxypeptidase Enzyme of Salmonella typhimurium525816002010.22034/jchemlett.2022.361586.1085ENAmeji JohnDepartment of Chemistry, Federal University Lokoja, Nigeria0000-0001-5516-8802Adamu UzairuDepartment of Chemistry, Ahmadu Bello University, Zaria0000-0002-6973-6361Gideon AdamuShallangwaDepartment of Chemistry, Ahmadu Bello University0000-0002-0700-9898Sani UBADepartment of chemistry, Ahmadu Bello University Zaria, Nigeria0000-0001-9595-6897Journal Article20220911The rising mortality and morbidity associated with Salmonella typhimurium induced salmonellosis aggravated by the emergence of multi-drug resistant strains of this pathogenic bacterium has made continuous search for novel antibiotics a necessity. In our quest to design newer drug candidates, a series of cephalosporin analogues with significant bioactivities against the aforementioned bacterium were optimized using Density Functional Theorem (DFT) and subjected to Quantitative Structure-Activity Relationship modelling using Multi-linear Regression to harness the dominant descriptors of the antimicrobial properties of the compounds. The validated model (R2 = 0.92, R2Adj = 0.91, Q2LOO = 0.88, R2pred = 0.71, LOF = 0.0001) reveals the predominance of SHBint3, SpMin6_Bhe, and L2u descriptors. Molecular docking simulation of the compounds guided by the model led to the design of two novel ligands, L1 and L2 with binding affinity of -7.7 kcal/mol and -8.3 kcal/mol, respectively against the PBP6 protein target of the bacterium. These values are higher than the -6.7 kcal/mol obtained for cefuroxime (R) antibiotic used as standard for comparison against the same protein target. The newly designed ligands exhibit excellent pharmacokinetic and toxicological profiles as well positive drug-likeness. Using the generated model, Minimum Inhibitory Concentration values of 0.038µg/mL and 0.051µg/mL were predicted for L1 and L2, respectively. The novel ligands displayed a balance of potency, binding affinity, pharmacokinetic and toxicological profiles as well as unique mechanisms of interactions with the PBP6 target of Salmonella typhimurium. We therefore recommend their synthesis, biological evaluation and clinical trial.https://www.jchemlett.com/article_160020_83604412de5abb4d5122ec9ab7be8597.pdfEurasian Science Society (ESS)Journal of Chemistry Letters2821-01234120230101Use of Some Metalferrites as Catalyst in Schotten-Baumann Reaction596516768510.22034/jchemlett.2023.382856.1102ENNeha Godhadepartment of chemistry pacific university Udaipur, Raj 313001Journal Article20230123ABSTRACT<br /><br />Zinc ferrite was used to catalyse the Schotten-Baumann reaction of benzoyl chloride and aniline in the presence of sodium hydroxide. Zinc ferrite was prepared by hydrothermal process. Other magnetic ferrites (Where M=Ni, Co, Zn, and Mg) were also prepared. It was characterized by Field Emission Scanning Electron Microscopy (FESEM), X-Ray Diffraction Spectroscopy (XRD), and Energy Dispersive X-Ray Spectroscopy (EDX). The crystalline size of Zinc ferrite was found to have 6.62 nm and these are irregular in shape. The product was confirmed by m.p. and m.m.p. It was found that the yield of the product (benzanidide) in the presence of Zinc ferrite was 61.3%, which is almost 2.4 times the yield obtained in the absence of catalyst. A comparative study was made with different metal ferrites as catalyst and it was found that the activity of metal ferrites followed the order:<br /><br /><br /><br />ZnFe2O4 (61.3%) > Ni Fe2O4 (51.7%) >Co Fe2O4 (44.5 %) > MgFe2O4 (38.0 %) >Cu Fe2O4 (26.2%)https://www.jchemlett.com/article_167685_839eddffdab88a386104847ee0a56651.pdfEurasian Science Society (ESS)Journal of Chemistry Letters2821-01234120230101A Comparative Computational Investigation on Amantadine Adsorption on the Surfaces of Pristine, C-, Si-, and Ga-doped Aluminum Nitride Nanosheets667016944210.22034/jchemlett.2023.388369.1107ENBabak MohammadiDepartment of Chemistry, Payame Noor University, PO Box 19395-3697 Tehran, IranMohammad Reza Jalali SarvestaniYoung Researchers and Elite Club, Yadegar-e-Imam Khomeini (RAH) Shahr-e-Rey Branch, Islamic Azad University, Tehran, Iran0000-0003-2903-977XJournal Article20230304Amantadine is a multipurpose medication that its determination is of great importance. Therefore, in this investigation, the performance of pristine, C-, Si-, and Ga-doped aluminum nitride nanosheets as a sensor for electrochemical detection of AT was evaluated by density functional theory computations. The calculated adsorption energies were -17.22, -19.06, -28.98, and -20.36 kcal/mol in the cases of pristine, Si-, Ga-, and C-doped nanosheets, respectively. Hence, the strongest interaction was observed between AT and Ga-doped aluminum nitride nanosheet. On the other hand, the band gap values of pristine, Si-, Ga-, and C-doped nanosheets experienced -1.81%, -10.59%, -20.74%, -2.53% decrease in the adsorption process of AT indicating when AT adsorbs on the surface of Ga-doped AlN nanosheet the electrical conductivity improved more tangibly in comparison to the other scrutinized nanostructures and this adsorbent can be used as an excellent electrocatalytic modifier for the development of novel electrochemical sensors for the detection of AT.https://www.jchemlett.com/article_169442_ad90c769fd940fc4d96c7235b349e78d.pdf