A. Kumer, Nuruzzaman Sarker, Sunanda Paul, Afroza Zannat
{"title":"The Theoretical Prediction of Thermophysical properties, HOMO, LUMO, QSAR and Biological Indics of Cannabinoids (CBD) and Tetrahhdrocannabinol (THC) by Computational Chemistry","authors":"A. Kumer, Nuruzzaman Sarker, Sunanda Paul, Afroza Zannat","doi":"10.33945/SAMI/AJCA.2019.2.190202","DOIUrl":"https://doi.org/10.33945/SAMI/AJCA.2019.2.190202","url":null,"abstract":"Some thermophysical parameters of CBD and THC such as free energy, entropy, dipole moment, binding energy, nuclear energy, electronics energy, heat of formation, and chemical reactivity like HOMO (Occupied Molecular Orbital Highest) and LUMO (Lowest Unoccupied Molecular Orbital, HUMO-LUMO gap, ionization potential and electron affinity were calculated via semi-empirical and molecular mechanic method. For the characterization, the IR vibration spectroscopy, NMR in case of coupling and shielding constant were calculated. The Quantitative Structure Activity Relation (QSAR) properties of molecules like charge density, surface area grid, volume, LogP, polarizability, refractivity, molecular mass were determined using the HyperChem 8.0.10 program. Using the thermophysical and QSAR data, the IC50 and pHIC50 (–logIC50) was developed which is referred as biological activity parameter.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74049770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Improving the Efficacy of Abamectin Using Neem Oil in Controlling Tomato Leafminers, Tuta absoluta (Meyrick).","authors":"Daniel Tsingay Illakwahhi, B. Srivastava","doi":"10.33945/SAMI/AJCA.2019.2.216224","DOIUrl":"https://doi.org/10.33945/SAMI/AJCA.2019.2.216224","url":null,"abstract":"Tomato leafminers, Tuta absoluta pose a control challenge against dozens of chemical pesticides including abamectin as a result of increase in resistance with time. This study aimed at improving the field performance of abamectin using crude neem oil. The oil was obtained from the healthy neem seeds by cold pressing method. A total of 10 larvae were used in each bioassay experiment. Abamectin at 1000 ppm caused corrected mortality of 79% and its concentration that kills half of the experimental larvae (LC50) was 363 ppm. The crude neem oil at concentration of 2500 ppm caused corrected mortality of 61% with LC50 at 1089 ppm. The 1:1 mixture of abamectin and crude neem oil (without heating) at concentration of 1000 ppm gave 83% as highest corrected mortality and LC50 at 251 ppm. The findings from bioassay experiments revealed that, both neem oil and abamectin are potential pesticides; however their performance was even high after mixing. It was the synergism effect that gave the mixture high performance.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90918541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and characterization of new polymer systems containing indole","authors":"M. H. Nasirtabrizi, Hamideh Saberi Khosroshahi","doi":"10.33945/SAMI/AJCA.2019.2.256265","DOIUrl":"https://doi.org/10.33945/SAMI/AJCA.2019.2.256265","url":null,"abstract":"Synthesis of some novel indole derivatives has been undertaken by the reaction of poly(maleic anhydride-co-styrene), P(MA-co-St), poly(maleic anhydride-co-chloromethyl styrene), P(MA-co-CMS), poly(maleic anhydride-co-methyl methacrylate), P(MA-co-MMAc) and poly(maleic anhydride-co-methacrylate) P(MA–co–MAc), copolymers with indole in the presence of NaH at -5oC. Compositions of the copolymers were obtained using related 1H NMR spectra and the polydispersity indices of the copolymers determined using gel permeation chromatography (GPC). The anhydride group possesses a higher reactivity with the indole group. The ring opening reaction between the anhydride group and the indole is simple and fast. All the resulted polymers were characterized by FT-IR and 1H NMR spectroscopic techniques. The glass transition temperature (Tg) of all the copolymers was determined by dynamic mechanical thermal analysis (DMTA). All the polymers containing indole groups showed a high glass transition temperature in comparison with the unmodified copolymers (I-IV). It was found that these polymers with indole moieties have high thermal stability and the presence of bulky indole groups in polymer side chains leads to an increase in the rigidity of polymers.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77894815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sangeetha Premkumar, Anandkumar Karunakaran, Vasanthi Murugesan, J. Munusamy, Ramesh Jayaprakash, R. Murugesan
{"title":"Validated UV-Spectrophotometric Method for the Simultaneous Estimation of Pyridoxine Hydrochloride and Doxylamine Succinate in Bulk and in Pharmaceutical Dosage Form","authors":"Sangeetha Premkumar, Anandkumar Karunakaran, Vasanthi Murugesan, J. Munusamy, Ramesh Jayaprakash, R. Murugesan","doi":"10.33945/SAMI/AJCA.2019.2.245255","DOIUrl":"https://doi.org/10.33945/SAMI/AJCA.2019.2.245255","url":null,"abstract":"A new, simple, accurate and sensitive UV ‐ Spectrophotometric absorbance correction method has been developed for simultaneous determination of Pyridoxine Hydrochloride and Doxylamine Succinate in bulk and in combined tablet dosage form using distilled water as a solvent. The wavelengths selected for the analysis were 260 nm and 324 nm. Both Pyridoxine hydrochloride and Doxylamine Succinate were linear over the concentration range of 5 - 40 µg/ ml and 10 - 60 µg/ ml of Doxylamine Succinate and Pyridoxine hydrochloride, respectively. The percentage recovery was found to be in the range of 99.15 ‐ 100.71% for Pyridoxine Hydrochloride and 99.30 ‐ 101.99% for Doxylamine Succinate. The %RSD for recovery studies was found to be 0.5484 and 0.9071 for Pyridoxine hydrochloride and Doxylamine Succinate, respectively for. The low %RSD of recovery studies indicated that there is no interference due to excipients used in formulation. The amount of PYRI and DOXY was found to be 100.92% ± 0.6961 and 101.05% ± 0.7965. Optical characteristics like slope, intercept, molar absorptivity, correlation coefficient, LOD and LOQ were calculated. The developed method was validated statistically by recovery studies as per ICH guidelines. The % RSD value was found to be less than 2. Thus the proposed method was simple, precise, rapid and accurate and can be successfully applied for routine quality control analysis of simultaneous determination of Pyridoxine Hydrochloride and Doxylamine Succinate in bulk and in combined tablet dosage form.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85659550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
C. A. Anyama, P. B. Ashishie, B. Inah, J. Mbonu, Ayi Ayi Anyama
{"title":"Metal-organic frameworks as precursor for metal oxide nanostructures Part I: MOF-derived copper oxide embedded in carbon matrix","authors":"C. A. Anyama, P. B. Ashishie, B. Inah, J. Mbonu, Ayi Ayi Anyama","doi":"10.33945/SAMI/AJCA.2019.2.234244","DOIUrl":"https://doi.org/10.33945/SAMI/AJCA.2019.2.234244","url":null,"abstract":"Three isostructural metal-organic framework materials (MOFs) formulated as M[(HBTC)(H2O)]ˑH2O(M = Cu for 1, Zn for 2 and Ca for 3) constructed with 1, 3, 5-benzenetricarboxylate (BTC) were synthesised under hydro/solvothermal conditions. The three compounds were characterised on the basis of infrared and UV-Vis spectroscopy and the structure of 3 elucidated with the help of single-crystal x-ray crystallography. The UV-Vis spectrum of 1 exhibited a unique band at 511 nm. In the region 520 – 534 nm, the band splits into two moderately intense peaks at 527 and 531 nm. These absorption peaks along with other bands at 629 and 638 nm were assigned to d-d transitions of the copper (II) ion with distorted square planar geometry. The infrared spectra of the three compounds revealed that the ligand, BTC anion coordinated in a chelating and / or bridging mode to the metal center. The presence of absorption bands at 1699 cm-1 in 1 and 2, (1681 cm-1 in 3) can be attributed to protonated HBTC for 1-3. Single-crystal X-ray crystallographic studies of compound 3 revealed well-ordered structure with BTC ligand linking the individual chains to form a network structure. On heating Cu(HBTC)(H2O)ˑH2O up to 400oC, a copper-oxide embedded in carbon matrix was obtained with uniform particles of 10 -100 nm size.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91410248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Prospects and Challenges of Using Coagulation-Flocculation method in the treatment of Effluents","authors":"K. Iwuozor","doi":"10.29088/SAMI/AJCA.2019.2.105127","DOIUrl":"https://doi.org/10.29088/SAMI/AJCA.2019.2.105127","url":null,"abstract":"Wastewaters from chemical industries are characterized by the presence of heavy metallic ions, chemical contaminant and turbidity. Exposure to lead (Pb), for example, is recognized as a major risk factor for several human diseases, and the structure of industrial ecological systems have made exposure to Pb unavoidable for most people alive today. The removal of these toxic metals and contaminants from industrial wastewater is a matter of great interest in the field of water pollution, which is a serious cause of water degradation. Coagulation-flocculation is a widely used method for wastewater treatment especially if the wastewater is discharged into surface water. Coagulation/flocculation is a commonly used process in water and wastewater treatment in which compounds such as ferric chloride and/or polymer are added to wastewater in order to destabilize the colloidal materials and cause the small particles to agglomerate into larger settle able flocs. Therefore, the futuristic use as well as the present demerits of this process is necessary for the treatment of effluents.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88973130","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Qualitative and Quantitative Determination of Anti-Nutritional Factors of Five Wine Samples","authors":"K. Iwuozor","doi":"10.29088/SAMI/AJCA.2019.2.136146","DOIUrl":"https://doi.org/10.29088/SAMI/AJCA.2019.2.136146","url":null,"abstract":"This research was aimed at the qualitative and quantitative determination of three anti-nutritional factors (Oxalate, Phytate, and Tannins) present in five wine samples produced in Nigeria. The determination of tannin was done using Folin-Denis Spectrophotometric method, the determination of oxalate was done through three processes namely; digestion, oxalate precipitatin and permanganate titration. From the result obtained, it was revealed that the five wine samples actually contained these anti-nutritional factors and these compounds were present in amounts that were not toxic to the human health. Ingestion of the wine samples over a long period of time could increase the anti-nutritional content and cause serious health challenges that could affect the liver and kidney. Therefore sensitization on the harms of prolonged intake of these wine samples should be a priority to the government. Government should also impose a strict law that will checkmate manufacturers of these drinks so as to make sure that these drinks are properly treated.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78209654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Itodo, R. Wuana, Bulus Emmanuel Duwongs, D. D. Bwede
{"title":"Mineralogy and Pollution Status of Columbite-Tin Ore Contaminated Soil","authors":"A. Itodo, R. Wuana, Bulus Emmanuel Duwongs, D. D. Bwede","doi":"10.29088/SAMI/AJCA.2019.2.147164","DOIUrl":"https://doi.org/10.29088/SAMI/AJCA.2019.2.147164","url":null,"abstract":"Mining activities are one of the numerous ways by which man impacts on his environment. In this study, two non-destructive analytical techniques (XRF and XRD) were employed in the mineralogical characterization of Columbite-Tin ore and their contaminated soils. This investigates associated unnoticed minerals as well as the impact of mining on vicinity farmland soils on the Yelwa-Mbar mining site, Nigeria. The chemical characterization of Columbite ore using electron dispersive XRF revealed that most of the Columbite mineral deposits in the Plateau mining sites contain Niobium mineral in various proportions and vary from deposit to deposit depending on the geochemical composition of the minerals that formed the parent rock. Tin content as determined by ED-XRF impart that the ore can be utilized directly in the furnace because of its high cassiterite content (85.43%). The percentage elemental composition of soil around the mining vicinity unveiled the presence of Radionuclides K-40, Rubidium and Thorium in the soil. This is of great concern. The XRD mineralogical investigation of Columbite shows the presence of associated braunite, cassiterite, ilmenite, quartz, and zircon while the phase pattern for Tin ore confirmed the availability of cassiterite, magnetite and litharge. Pollution status based on contamination factor and geo-accumulation indices gave both radionuclides and heavy metal concentrations that depicts moderate to extreme contaminations.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87109048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Importance of Microwave Heating In Organic Synthesis","authors":"S. Nain, Ruchi Singh, S. Ravichandran","doi":"10.29088/SAMI/AJCA.2019.2.94104","DOIUrl":"https://doi.org/10.29088/SAMI/AJCA.2019.2.94104","url":null,"abstract":"Microwave is a convenient source of heating for organic synthesis. The heating is instantaneous and very specific. Nowadays Microwave assisted organic synthesis may consider all the previously heated reaction by this technique. The benefits of this organic synthesis by microwave increasingly making this technique more established worldwide. The various organic molecules may be quickly, efficiently, cleanly as well as economically synthesized by this technique. This article is mainly focusing on the importance of organic synthesis by microwave heating.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85405263","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Payehghadr, Samaneh Salarvand, Farzaneh Nourifard, M. K. Rofouei, N. Bahramipanah
{"title":"Construction of modified carbon paste electrode by a new pantazene ligand for ultra-trace determination of ion silver in real samples","authors":"M. Payehghadr, Samaneh Salarvand, Farzaneh Nourifard, M. K. Rofouei, N. Bahramipanah","doi":"10.33945/SAMI/AJCA.2019.4.10","DOIUrl":"https://doi.org/10.33945/SAMI/AJCA.2019.4.10","url":null,"abstract":"A new ligand, 1,5-bis( para methoxyphenyl)-3- ethyl-1,4-pantaazadiene has been synthesized by reaction of the 4-methoxyaniline (p-anisidine) with ethylamine. The mixture was stirred in an ice bath for 30 min. The structure of the synthesized compound resulted from the IR and 1HNMR and 13CNMR. Afterwards, a carbon paste electrode modified with this new ligand was developed for the silver determination at nanomolar level concentration. The electerochemical properties of this modified electrode was investigated by employing cyclic voltammetry (CV) and differential pulse voltammetry (DPV) methods in an acetate buffer solution (pH=4.8). The effect of pH, scan rate, percentage of modifier and buffer as supporting electrolyte on the electrode process were investigated. The oxidation peak of Ag+ was observed at about 0.4- 0.5 V. The resulting electrode demonstrated linear response across a 10-9 to 10-8 mol.L-1 of silver concentration range with a detection limit value of 1.61×10-10mol.L-1, on the basis of a signal to noise ratio of 3. Relative Standard deviation (RSD%) of the electrode performance was 2.41%. This MCPE, were showed high sensitivity and selectivity to Ag+ ions in aqueous samples.","PeriodicalId":7207,"journal":{"name":"Advanced Journal of Chemistry-Section A","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74936993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}