@Research Paper
<#LINE#>Use of Al2O3-Areca nut activated carbon composite as an adsorbent for defluoridation of water<#LINE#>Joshi@Sahira <#LINE#>1-6<#LINE#>ISCA-RJCS-2018-024.pdf<#LINE#>Department of Engineering Science and Humanities, Institute of Engineering, Pulchowk Campus, Tribhuvan University, Nepal<#LINE#>5/5/2018<#LINE#>20/8/2018<#LINE#>The concentration of fluoride in drinking water above 1.5 mg/L can cause adverse health effects. The present study deals with defluoridation (fluoride removal) of water using Al2O3-Areca nut activated carbon composite as an adsorbent. Activated carbon (AC) was prepared from Areca nut using H3PO4 as an activating agent at 400oC under N2 atmosphere. The Al2O3-Areca nut AC composite (composite adsorbent) was prepared with the resultant AC and Al2O3. The effects of pH, adsorbent dosage and contact time on the percentage of fluoride removal were studied by batch mode. The percentage of fluoride removal by the composite adsorbent (~80) was much higher as compared to the plain AC (~40%). The highest percentage of fluoride removal was found at pH 2, adsorbent dose of 20gm/L and contact time of 180min. The adsorption data were fitted more to Langmuir isotherm than Freundlich isotherm. It describes a monolayer adsorption of the fluoride on a uniform composite adsorbent surface. The maximum adsorption capacity of the composite adsorbent for fluoride removal was 7.6 mg/gm. As such, it can be concluded that, Al2O3-Areca nut AC composite shows best performance for defluoridation and can be applied in water treatment.<#LINE#>WHO (2008).@Fluoride in drinking-water, Guidelines for drinking-water quality.@World Health Organization, Geneva, 1. ISBN 978 92 4 154761 1.@Yes$Singh K., Lataye D.H., Wasewar K.L. and Yoo C.K. (2013).@Removal of fluoride from aqueous solution: status and techniques.@Desalination and Water Treatment, 51(16-18), 3233-3247.@Yes$Ramesh M., Narasimhan M., Krishnan R., Chalakkal P., Aruna R.M. and Kuruvilah S. (2016).@The prevalence of dental fluorosis and its associated factors in Salem district.@Contemporary clinical dentistry, 7(2), 203.@Yes$Bashir M.T., Ali S.B., Adris A. and Haroon R. (2013).@Health Effects Associated with Fluoridated Water Sources–A Review of Central Asia.@Asian Journal of Water, Environment and Pollution, 10(3), 29-37.@Yes$Larsen M.J. and Pearce E.I.F. (1992).@Partial defluoridation of drinking water using fluorapatite precipitation.@Caries research, 26(1), 22-28.@Yes$Dwivedi S., Mondal P. and Balomajumder C. (2014).@Bioadsorption of fluoride by Ficus religiosa (Peepal leaf powder): Optimization of process parameters and equilibrium study.@Research Journal of Chemical Sciences, 4(7), 52-60.@Yes$Malay D.K. and Salim A.J. (2011).@Comparative study of batch adsorption of fluoride using commercial and natural adsorbent.@Research Journal of Chemical Sciences, 1(7), 68-75.@Yes$Tembhurkar A.R. and Dongre S. (2006).@Studies on fluoride removal using adsorption process.@Journal of environmental science & engineering, 48(3), 151-156.@Yes$Veeraputhiran V. and Alagumuthu G. (2011).@Treatment of high fluoride drinking water using bioadsorbent.@Research Journal of Chemical Sciences, 1(4), 49-54.@Yes$Wu Y.C. and Nitya A. (1979).@Water defluoridation with activated alumina.@Journal of the Environmental Engineering Division, 105(2), 357-367.@Yes$Kaseva M.E. (2006).@Optimization of regenerated bone char for fluoride removal in drinking water: A case study in Tanzania.@Journal of Water Health, 4, 139-147.@Yes$Das N., Pattanaik P. and Das R. (2005).@Defluoridation of drinking water using activated titanium rich bauxite.@Journal of Colloid and Interface Science, 292(1), 1-10.@Yes$Mondal P., George S. and Mehta D. (2014).@Use of calcite for defluoridation of drinking water in acidic medium.@Research Journal of Chemical Sciences, 4(6), 62-65.@Yes$Joshi S., Shrestha L.K., Kamachi Y., Yamauchi Y., Pradhananga M.A., Pokhre B.P. and Pradhananga R.R. (2015).@Sodium hydroxide activated nanoporous carbons based on Lapsi seed stone.@Journal of nanoscience and nanotechnology, 15(2), 1465-1472.@Yes$Alagumuthu G. and Rajan M. (2010).@Kinetic and equilibrium studies on fluoride removal by zirconium (IV)-impregnated ground nut shell carbon.@Hemijska Industrija, 64 (4), 295-304.@Yes$Joshi S. and Pradhananga M.A. (2016).@Removal of Fluoride Ions by Adsorption onto Fe 2 O 3/Areca Nut Activated Carbon Composite.@Journal of the Institute of Engineering, 12(1), 175-183.@Yes$Ramos R.L., Ovalle-Turrubiartes J. and Sanchez-Castillo M.A. (1999).@Adsorption of fluoride from aqueous solution on aluminum-impregnated carbon.@Carbon, 37(4), 609-617.@Yes$Tchomgui-Kamga E., Alonzo V., Nanseu-Njiki C.P., Audebrand N., Ngameni E. and Darchen A. (2010).@Preparation and characterization of charcoals that contain dispersed aluminum oxide as adsorbents for removal of fluoride from drinking water.@Carbon, 48(2), 333-343.@Yes$Hao J., Lirong T., Qiaoling Z., Xinyu Z., Guanfeng L. and Biao H. (2011).@Research on carbon/pottery adsorption composite for removing fluoride.@Scientia Silvae Sinicae, 47(4), 147-151.@Yes$Lunge S., Thakre D., Kamble S., Labhsetwar N. and Rayalu S. (2012).@Alumina supported carbon composite material with exceptionally high defluoridation property from eggshell waste.@Journal of Hazardous Materials, 237, 161-169.@Yes$Basker A., Shabudeen P.S., Daniel S. and Kumar P.V. (2014).@Adsorptive removal of malachite green from aqueous solution using Areca husk carbon.@Rasayan journal of chemistry, 7(1), 1-15.@Yes$Haloi N., Sarma H.P. and Chakravarty P. (2013).@Biosorption of lead (II) from water using heartwood charcoal of Areca catechu: equilibrium and kinetics studies.@Applied Water Science, 3(3), 559-565.@Yes$Chakrabarty S.U.T.A.P.A. and Sarma H.P. (2011).@A study on defluoridation capacity of Betel nut coir charcoal from aqueous solutions.@Poll Res, 30(4), 75-80.@Yes$American Public Health Association (2012).@Standard Methods for examination of water and wastewater.@22nd edition, USA, ISBN 978-087553-013-0.@Yes
@Research Paper
<#LINE#>In silico DFT and ADME studies of Dehydrostenine A<#LINE#>TIWA@Axel LONTSI,NGA@Emmanuel NNANGA,TCHINDA@Alembert TIABOU <#LINE#>7-11<#LINE#>ISCA-RJCS-2018-033.pdf<#LINE#>Institute of Medical Research and Medicinal Plants Studies (IMPM), P.O. Box 6163, Yaoundé, Cameroon and Department of Organic Chemistry, University of Yaoundé I, P.O Box 812, Yaoundé, Cameroon@Institute of Medical Research and Medicinal Plants Studies (IMPM), P.O. Box 6163, Yaoundé, Cameroon, Department of Organic Chemistry, University of Yaoundé I, P.O Box 812, Yaoundé, Cameroon and Department of Pharmacy, Faculty of Medicine and Pharmaceutical Sciences, University of Douala, P.O Box 812, Douala, Cameroon@Institute of Medical Research and Medicinal Plants Studies (IMPM), P.O. Box 6163, Yaoundé, Cameroon<#LINE#>27/6/2018<#LINE#>14/8/2018<#LINE#>Alkaloids are secondary metabolites with more or less complex structures. It’s interest in computerized chemistry is little noticed unlike phytochemistry. This work consists in calculating vibrational frequencies and physico-chemical properties of a firstly optimized dehydrostenine A (DsA), a true alkaloid isolated from Stemona sessilifolia. The structural analysis was carried out using aRMSD, which allowed to visualize the differences with the crystalline structure and calculate the deviations. The chemical properties were obtained with Qikprop and revealed a very good absorbability for human oral distribution.<#LINE#>Facchini P.J. (2001).@Alkaloid biosynthesis in plants: biochemistry, cell biology, molecular regulation, and metabolic engineering applications.@Annual review of plant biology, 52(1), 29-66.@Yes$Pilli R.A., Rosso G.B. and de Oliveira M.D.C.F. (2010).@The chemistry of Stemona alkaloids: An update.@Natural product reports, 27(12), 1908-1937.@Yes$Carlsson A., Lindqvist M. and Magnusson T.O.R. (1957).@3, 4-Dihydroxyphenylalanine and 5-hydroxytryptophan as reserpine antagonists.@Nature, 180(4596), 1200.@Yes$Gorrod J.W. and Wahren J. (1993).@Nicotine and Related Alkaloids.@London, England: Chapman and Hall, page xv. ISBN: 978-94-011-2110-1.@Yes$Turabekova M.A., Rasulev B.F., Dzhakhangirov F.N. and Salikhov S.I. (2008).@Aconitum and Delphinium alkaloids: “Drug-likeness” descriptors related to toxic mode of action.@Environmental toxicology and pharmacology, 25(3), 310-320.@Yes$Dong J.L., Yang Z.D., Zhou S.Y., Yu H.T., Yao X.J., Xue H.Y. and Shu Z.M. (2017).@Two Stemona alkaloids from Stemona sessilifolia (Miq.) Miq.@Phytochemistry Letters, 19, 259-262.@Yes$Lai D.H., Yang Z.D., Xue W.W., Sheng J., Shi Y. and Yao X.J. (2013).@Isolation, characterization and acetylcholinesterase inhibitory activity of alkaloids from roots of Stemona sessilifolia.@Fitoterapia, 89, 257-264.@Yes$Cronin M.T. (2003).@Computer-aided prediction of drug toxicity and metabolism.@In Modern Methods of Drug Discovery, Birkhäuser, Basel, 259-278.@Yes$Mohamadi F., Richards N.G., Guida W.C., Liskamp R., Lipton M., Caufield C. and Still W.C. (1990).@Macro Model—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics.@Journal of Computational Chemistry, 11(4), 440-467.@Yes$Bochevarov A.D., Harder E., Hughes T.F., Greenwood J. R., Braden D.A., Philipp D.M., Rinaldo D., Halls M.D., Zhang J. and Friesner R.A. (2013).@Jaguar: A High- Performance Quantum Chemistry Software Program with Strengths in Life and Materials Sciences.@Int. J. Quantum Chem., 113(18), 2110-2142. &#8232;@Yes$Becke A.D. (1993).@Density&#8208;functional thermochemistry. III. The role of exact exchange.@The Journal of chemical physics, 98(7), 5648-5652. &#8232;@Yes$Lee C., Yang W. and Parr R.G. (1988).@Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.@Physical review B, 37(2), 785-789.&#8232;@Yes$Wagner A. and Himmel H.J. (2017).@aRMSD: A Comprehensive Tool for Structural Analysis.@Journal of chemical information and modeling, 57(3), 428-438.@Yes$Release S. (2016).@3: LigPrep.@Schrödinger, LLC, New York, NY.@Yes$Release Q.S. (2017).@1: Qik Prop.@Schrödinger, LLC, New York, NY.@No$Kabsch W. (1976).@A solution for the best rotation to relate two sets of vectors.@Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography, 32(5), 922-923.@Yes$Schroeder W.J., Lorensen B. and Martin K. (2004).@The visualization toolkit: an object-oriented approach to 3D graphics.@Kitware.@Yes$Politzer P. and Murray J.S. (1991).@Molecular electrostatic potentials and chemical reactivity.@Reviews Computational Chemistry, 2, 273-312.@Yes$Politzer P. and Murray J.S. (2002).@The fundamental nature and role of the electrostatic potential in atoms and molecules.@Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 108(3), 134-142.@Yes$Gunasekaran S., Kumaresan S., Balaji R.A., Anand G. and Seshadri S. (2008).@Vibrational spectra and normal coordinate analysis on structure of chlorambucil and thioguanine.@Pramana: Journal of Physics, 71(6), 1291-1300.@Yes$Sajan D., Lakshmi K.U., Erdogdu Y. and Joe I.H. (2011).@Molecular structure and vibrational spectra of 2, 6-bis (benzylidene) cyclohexanone: a density functional theoretical study.@Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78(1), 113-121.@Yes$Sinha L., Prasad O., Narayan V. and Shukla S.R. (2011).@Raman, FT -IR spectroscopic analysis and first-order hyperpolarisability of 3-benzoyl-5-chlorouracil by first principles.@Molecular Simulation, 37(2), 153-163.@Yes$DiMasi J.A., Hansen R.W. and Grabowski H.G. (2003).@The price of innovation: new estimates of drug development costs.@Journal of health economics, 22(2), 151-185.@Yes$Hodgson J. (2001).@ADMET-turning chemicals into drugs.@Nature Biotechnology, 19(8), 722-726.@Yes$Lipinski C.A. (2004).@Lead-and drug-like compounds: the rule-of-five revolution.@Drug Discovery Today: Technologies, 1(4), 337-341.@Yes$Jorgensen W.L. and Duffy E.M. (2000).@Prediction of drug solubility from Monte Carlo simulations.@Bioorganic and medicinal chemistry letters, 10(11), 1155-1158.@Yes
@Research Paper
<#LINE#>Synthesized Schiff bases from linoleic and benheric acids as inhibitor of mild steel corrosion in HCl medium<#LINE#>F.K.@Ekuma,S.A.@Odoemelam ,U.I.@Ekanem,A.@Okoyeagu <#LINE#>12-25<#LINE#>ISCA-RJCS-2018-034.pdf<#LINE#>Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Abia State, Nigeria@Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Abia State, Nigeria@Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Abia State, Nigeria@Department of Chemistry, Michael Okpara University of Agriculture, Umudike, Abia State, Nigeria<#LINE#>30/6/2018<#LINE#>18/8/2018<#LINE#>Inhibitory performances of Schiff bases, 2[2-diethylamino) ethyl methyl amino)-4-methy1-5-3 (3-methyl sulfanyl propy1 amino) methylidene cyclohexdien-1-one (DEMS) and [1-(azepan-1-yl)-2-2-[4-(2-tert-butyl sulfanylethyl piperazin-1-yl] ethanone (ATSP) synthesized from linoleic and benheric acids on mild steel corrosion in HCl medium were assessed. Inhibition performances of the Schiff bases under study were assessed by gravimetric and potentiodynamic polarization methods. The inhibitors were characterized by Infrared (IR) spectrophotometry. Results obtained showed pronounced enhancements in efficiencies of the inhibitors as their concentrations gradually increased while a corresponding decline in efficiencies was observed with a rise in temperature of the medium. The measured corrosion data were best described by Langmuir isotherm with R2 values of 0.99. Thermodynamic studies on the inhibition process showed that the mode of adsorption of the Schiff bases followed physisorption. The negative entropy values obtained revealed increased disorderliness at the mild steel-inhibitor interface as concentrations of the Schiff bases gradually build up. Potentiodynamic polarisation results revealed that the inhibitors exhibited a mixed inhibition control<#LINE#>Liu P., Fang X., Tang Y., Sun C. and Yao C. (2001).@Electrochemical and quantum chemical studies of 5-substituted tetrazoles as corrosion inhibitor for copper aerated 0.5 M H2SO4 solution.@Materials Science and Application, 2, 1268-1278.@Yes$Achary G., Sachin H.P., Naik Y.A. and Venkatesha T.V. (2008).@The corrosion inhibition of mild steel by 3-formyl-8- hydroxyquinoline in hydrochloric acid medium.@Material Chemistry and Physics, 107, 44-50.@Yes$Quraishi M.A., Ahamad I., Singh A.K., Shukla S.K., Lai B and Singh V. (2008).@N- (Piperidinomethyl)-3-Ecpyridylidene amino, a new and effective acid corrosion inhibitor for mild Steel.@Material Chemistry and Physics, 112, 1035-1039.@Yes$Umoren S.A., Obot I.B. and Ebenso E.E. (2008).@Corrosion Inhibition of aluminium using exudates gum from Pachylobus edulis in the presence of halide ions in HCl.@Electron, Journal of Chemistry, 5(2), 355-364.@Yes$Eddy N.O. (2011).@Experimental and theoretical studies of some amino acids and their potential activity as inhibitors for the corrosion of mild steel.@Part 2. Journal for Advance Research, 2, 35-47.@Yes$Ita B.I. (2004).@A study of corrosion inhibition of mild steel in 0.1 M hydrochloric acid by O-vanillin and O-vanillin hydrazone.@Bulletin of Electrochistry, 20(8), 363-370.@Yes$Hosseini S.M.A., Eftekhar S and Amiri M. (2007).@Polarisation behavior of stainless steel type 302 in HCl solution of benzotriazole.@Asian Journal of Chemistry, 19(4), 2574-2580.@Yes$Eddy N.O. and Odoemelam S.A. (2008).@Inhibition of the corrosion of mild steel in acid medium by penicillin V. Potassium.@Advances in Natural and Applied Sciences, 2(3), 225-232.@Yes$Toliwal S.D., Kalpesh J. and Pavagadhi T. (2010).@Inhibition of corrosion of mild steel in HCl solution by Schiff base derived from non-traditional oils.@Journals of Applied Chemical Research, 12, 24-36.@Yes$Yassen A.A., Najim A. and AL-Masoudi A. (2003).@A new class of dihaloquinolones bearing Naldehydoglycosyl hydrides, mercaptol, 1,2,4- triazole, oxadiazoline and a-amino ester precursor: synthesis and anti-microbial activity.@Journal of Brazil Chemical Society, 14, 790-796.@Yes$Eddy N.O. (2011).@Experimental and theoretical studies of some amino acids and their potential activity as inhibitors for the corrosion of mild steel, Part 2.@Journal for Advance Research, 2, 35-47.@Yes$Ezeoke A.U., Adeyemi O.G., Akerele O.A and Obi-Egbedi N.O. (2012).@Computational and experimental studies of 4-amino antipyrine as corrosion inhibitor for mild steel in sulphuric acid solution.@International Journal of Electrochemical Sciences, 7, 534-553.@Yes$Okafor P.C., Ebenso E.E. and Ekpe U. (2004).@Inhibition of the acid corrosion of aluminium by some derivatives of thiosemicarbazone.@Bulletin of Chemical Society of Ethiopia, 18(2), 181-192.@Yes$Stern I. and Martinez S. (2005).@An inhibitory of lo-carbon steel by mimosa tannin in sulphuric acid solution.@Journal of Electrochemical, 31, 973-978.@No$Asshassi-Sorkhabi H., Shabani B. and Seifzadeh D. (2005).@Corrosion Inhibition of mild steel by some Schiff base compounds in HCl.@Applied Surface Science, 239, 154-164.@Yes$Yurt A., Balaban A., Kandemer S.U., Bereket G. and Erk B. (2004).@Investigation of some Schiff bases as HCl corrosion inhibitors for carbon steel.@Material Chemistry and Physics, 85, 420-426.@Yes$Yurt A., Bekeret G., Rivrak A., Balaban A and Erk B. (2005).@Effect of Schiff bases containing pyridyl group as corrosion inhibitors for low carbon steel and in 0.1M HCl.@Journal of Applied Electrochem., 35, 1025-1032.@Yes$Upadhyay R.K. and Mathur S.P. (2007).@Effect of Schiff bases as corrosion inhibitors of mild steel in sulphuric acid.@E-Journal of Chemistry, 4(3), 408-414.@Yes$Emergul K.C., Kurtaran R. and Atakol O. (2003).@An Investigation of Chloride-Substituted Schiff bases as corrosion inhibitors for mild steel.@Journal of Corrosion Science, 45, 2803-2817.@Yes