Hameed M. Jasim, N. S. Zbar, Mahaba R. Al-Roubaiee
Cronobacter sakazakii was isolated from food samples and identified using morphological, biochemical tests and VITEK-2 system to produce bacteriocin by induction with mitomycin-C. C.sakazakii isolates were screened for their ability for bacteriocin production. Result showed that all these isolates were bacteriocin producers, but the most efficient isolate was MA7. Antibacterial activity of bacteriocin against some pathogenic bacteria was tested using well diffusion method. Bacteriocin was partially purified by ammonium sulfate precipitation, ion exchange using (DEAE)-Cellulose. After purification steps, three peaks were obtained. quantitative screening of bacteriocin involving the estimation of protein concentration and estimation of antibacterial activity showed that the large first peak was 1.6 mg/ml, 640 U/ml.
{"title":"Study the Antibacterial Activity of Bacteriocin Produced from the Locally Isolated Cronobacter sakazakii","authors":"Hameed M. Jasim, N. S. Zbar, Mahaba R. Al-Roubaiee","doi":"10.22401/JNUS.21.2.17","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.17","url":null,"abstract":"Cronobacter sakazakii was isolated from food samples and identified using morphological, biochemical tests and VITEK-2 system to produce bacteriocin by induction with mitomycin-C. C.sakazakii isolates were screened for their ability for bacteriocin production. Result showed that all these isolates were bacteriocin producers, but the most efficient isolate was MA7. Antibacterial activity of bacteriocin against some pathogenic bacteria was tested using well diffusion method. Bacteriocin was partially purified by ammonium sulfate precipitation, ion exchange using (DEAE)-Cellulose. After purification steps, three peaks were obtained. quantitative screening of bacteriocin involving the estimation of protein concentration and estimation of antibacterial activity showed that the large first peak was 1.6 mg/ml, 640 U/ml.","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"35 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77551845","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}
The present study provides an evidence for the successful utilization of interspecies interactions to enhance antibiotic production in solid state fermentation that previously established in liquid cultures. Ground corn, wheat bran, rice husk and soya bean ground were examined in order to choose the substrate that support the prodigiosin production from Serratia marcescens. Results revealed that maximum production of prodigiosin was obtained in wheat bran medium, starting from early hours of incubation and reaching its maximum of product yield 47.5 mg.gds-1 (mg per gram of dry substrate) after 48 h of incubation. An enhancement by 2.3-fold in prodigiosin production was obtained as a result of introducing, separately, live and dead prokaryotic and eukaryotic microbial cells as elicitors to S. marcescens medium. The highest prodigiosin production (240mg.gds-1) was obtained when S. marcescens was cultured in wheat bran medium supplemented with sunflower oil (0.5ml.g-1 substrate) and live cells of Bacillus subtilis (0.4ml.g-1 substrate) as elicitor.
{"title":"An Application of Solid State Fermentation and Elicitation with Some Microbial Cells for the Enhancement of Prodigiosin Production by Serratia marcescens","authors":"K. J. K. Luti, R. W. Yonis, Samer Thamir Mahmoud","doi":"10.22401/JNUS.21.2.15","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.15","url":null,"abstract":"The present study provides an evidence for the successful utilization of interspecies interactions to enhance antibiotic production in solid state fermentation that previously established in liquid cultures. Ground corn, wheat bran, rice husk and soya bean ground were examined in order to choose the substrate that support the prodigiosin production from Serratia marcescens. Results revealed that maximum production of prodigiosin was obtained in wheat bran medium, starting from early hours of incubation and reaching its maximum of product yield 47.5 mg.gds-1 (mg per gram of dry substrate) after 48 h of incubation. An enhancement by 2.3-fold in prodigiosin production was obtained as a result of introducing, separately, live and dead prokaryotic and eukaryotic microbial cells as elicitors to S. marcescens medium. The highest prodigiosin production (240mg.gds-1) was obtained when S. marcescens was cultured in wheat bran medium supplemented with sunflower oil (0.5ml.g-1 substrate) and live cells of Bacillus subtilis (0.4ml.g-1 substrate) as elicitor.","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78177454","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}
New 1,2-dihydropyridine-3-carbonitrile derivative compounds (3,4) were synthesized by cyclization of ketones (compound (1) and compound (2)) with appropriate aldehydes (4-N, Ndimethylaminobenzaldehyde and 4-chloro-2-oxo-2H-chromene-3-carbaldehyde) in presence of ethyl cyano acetate and ammonium acetate. The new synthesized compounds have been characterized using Melting point, FT-IR spectroscopy and 1 H-NMR and 13 C-NMR spectrum. The evaluation of biological activity of some synthesized compounds (1-4) with different concentration 10 mg mL −1 , 1 mg mL −1 and 0.1 mg mL −1 , against two types of bacteria on gram positive bacterial Staphylococcus aureus, Streptococcus pyogenus and gram nagetive bacterial Escherichia coli, Klebsiella pneumniae. [DOI: 10.22401/JNUS.21.2.07]
{"title":"Synthesis and Characterization of New 1,2-Dihydropyridine-3-Carbonitrile Compounds with Study of Expected Biological Activity","authors":"H. Ibraheem, Y. Al-Majedy, A. Salim, R. Al-Bayati","doi":"10.22401/JNUS.21.2.07","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.07","url":null,"abstract":"New 1,2-dihydropyridine-3-carbonitrile derivative compounds (3,4) were synthesized by cyclization of ketones (compound (1) and compound (2)) with appropriate aldehydes (4-N, Ndimethylaminobenzaldehyde and 4-chloro-2-oxo-2H-chromene-3-carbaldehyde) in presence of ethyl cyano acetate and ammonium acetate. The new synthesized compounds have been characterized using Melting point, FT-IR spectroscopy and 1 H-NMR and 13 C-NMR spectrum. The evaluation of biological activity of some synthesized compounds (1-4) with different concentration 10 mg mL −1 , 1 mg mL −1 and 0.1 mg mL −1 , against two types of bacteria on gram positive bacterial Staphylococcus aureus, Streptococcus pyogenus and gram nagetive bacterial Escherichia coli, Klebsiella pneumniae. [DOI: 10.22401/JNUS.21.2.07]","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"59 22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78736743","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}
Iraq suffers from pollution of the air with many gases, such as carbon dioxide, carbon monoxide, methane, ozone and others. Baghdad governorate was used as an example to measure the amount of air pollution and distribution in the areas of Baghdad and used data for three measurement stations in Baghdad is the station Jadiriya, Andulos and Alwaziriya, which are available only and for three gases are carbon dioxide and carbon monoxide and ozone and 2011 and 2012 and for all months. The study used three methods of mathematical induction (IDW, Kriging and Spline), one of the methods of mathematical induction in GIS programs. Analytical maps of the distribution and distribution of gases were obtained in Baghdad and it became clear that the IDW method is the most accurate of the three methods.
{"title":"Produce an Analytical Map for the Distribution of Air Pollution by Toxic Gases in Baghdad City by Geographic Information System","authors":"W. A. Hassan","doi":"10.22401/JNUS.21.2.12","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.12","url":null,"abstract":"Iraq suffers from pollution of the air with many gases, such as carbon dioxide, carbon monoxide, methane, ozone and others. Baghdad governorate was used as an example to measure the amount of air pollution and distribution in the areas of Baghdad and used data for three measurement stations in Baghdad is the station Jadiriya, Andulos and Alwaziriya, which are available only and for three gases are carbon dioxide and carbon monoxide and ozone and 2011 and 2012 and for all months. The study used three methods of mathematical induction (IDW, Kriging and Spline), one of the methods of mathematical induction in GIS programs. Analytical maps of the distribution and distribution of gases were obtained in Baghdad and it became clear that the IDW method is the most accurate of the three methods.","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"46 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89953238","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}
Due to the rapid increasing of polyethylene terephthalate (PET) used in industries, there are large of wastes quantities inter the stream per year which make a serious problem to water environment. In this work, the chemical treatment involve plastic bottles pieces mixed with MgO nano-catalyst, the result was white powder of polyethylene terephthalate (PET) which was used in this study. This work aims to isolate and screen bacterial isolates that able to degrade PET powder. Thirty eight bacterial isolates have been isolated from different waste disposal sites in Baghdad city. These isolates were screened on minimal salt media (MSM) plates according to clear zone method and the change in indicator color by using PET powder as the sole source of carbon and energy. According to morphological, biochemical characteristic, and analysis by Vitek 2 the most active isolates were identified as Acinetobacter baumannii.
{"title":"Chemical and Biological Treatment of Plastic Wastes by Bacteria Isolated from Contaminated Soils in Baghdad, Iraq","authors":"A. Hussein, M. Alzuhairi, Noor H. Aljanabi","doi":"10.22401/JNUS.21.2.19","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.19","url":null,"abstract":"Due to the rapid increasing of polyethylene terephthalate (PET) used in industries, there are large of wastes quantities inter the stream per year which make a serious problem to water environment. In this work, the chemical treatment involve plastic bottles pieces mixed with MgO nano-catalyst, the result was white powder of polyethylene terephthalate (PET) which was used in this study. This work aims to isolate and screen bacterial isolates that able to degrade PET powder. Thirty eight bacterial isolates have been isolated from different waste disposal sites in Baghdad city. These isolates were screened on minimal salt media (MSM) plates according to clear zone method and the change in indicator color by using PET powder as the sole source of carbon and energy. According to morphological, biochemical characteristic, and analysis by Vitek 2 the most active isolates were identified as Acinetobacter baumannii.","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"87 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84052571","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}
The main interest of the present work is in analyzing the lateral distribution function (LDF) of Cherenkov radiation from particles that produced in Extensive Air Showers (EAS). The simulation of Cherenkov radiation LDF is fulfilled by utilizing the CORSIKA program at 1 PeV of the primary energy around the knee region for many primaries for vertical showers for Tunka-133 array conditions. Depending on the numerical simulation results of Cherenkov light LDF, sets of parameterized polynomial functions are resetted for several particles as a function of primary particle type. The comparison between the approximated LDF of Cherenkov radiation with the LDF which has been simulated using CORSIKA program for Tunka-133 array is verified for several primary particles for vertical EAS cascade.
{"title":"Approximating the Lateral Distribution Function of Cherenkov Radiation as a Function of the Particle Type for Tunka-133 Array","authors":"Zena Fadhel Khadhum, H. Mahdi, A. AL-RUBAIEE","doi":"10.22401/JNUS.21.2.14","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.14","url":null,"abstract":"The main interest of the present work is in analyzing the lateral distribution function (LDF) of Cherenkov radiation from particles that produced in Extensive Air Showers (EAS). The simulation of Cherenkov radiation LDF is fulfilled by utilizing the CORSIKA program at 1 PeV of the primary energy around the knee region for many primaries for vertical showers for Tunka-133 array conditions. Depending on the numerical simulation results of Cherenkov light LDF, sets of parameterized polynomial functions are resetted for several particles as a function of primary particle type. The comparison between the approximated LDF of Cherenkov radiation with the LDF which has been simulated using CORSIKA program for Tunka-133 array is verified for several primary particles for vertical EAS cascade.","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"83 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85826636","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}
O. K’OwinoIsaac, Kenya Technolog, V. Okello, Kevin Masika
In this work, zero-valent iron nanoparticles (nZVI NPs) were synthesized in (EW-Fe0) ethanol -water mixed system and have been evaluated for degradation in aqueous solution of metribuzin. The batch experiments at varying solution pH showed the degradation efficiency of 93.22%, 83.74% and 70.09% for the pH value 10, 7 and 4 respectively. Application of the varying dosage; (2% Feo w/v, 4% Feo w/v, 6% Feo w/v) reflected an increasing trend as per the recorded degradation efficiency of 54.36 %, 67.28% and 79.38% respectively. Scanning electron microscopy (SEM) and Energy Dispersive X-ray Analysis (EDXA) were used to determine surface morphology and crystallinity of the particles respectively. The batch kinetic tests gave kinetics of a pseudo-first order along with the rate constants, Kobs of 0.2659 h-1, 0.2320 h-1 and 0.2066 h-1 after incubating 6% Feo w/v with 10 ppm, 15 ppm and 20 ppm of Metribuzin respectively. The residual metribuzin was monitored in the solution by using of high performance liquid chromatography (HPLC) and UV Spectrophotometer. Thus, we present nZVI as an alternative rapid method for the detoxification of metribuzin.
{"title":"Kinetics of Degradation of Metribuzin in aqueous solution using Zero Valent Iron Nanoparticles","authors":"O. K’OwinoIsaac, Kenya Technolog, V. Okello, Kevin Masika","doi":"10.22401/JNUS.21.2.01","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.01","url":null,"abstract":"In this work, zero-valent iron nanoparticles (nZVI NPs) were synthesized in (EW-Fe0) ethanol -water mixed system and have been evaluated for degradation in aqueous solution of metribuzin. The batch experiments at varying solution pH showed the degradation efficiency of 93.22%, 83.74% and 70.09% for the pH value 10, 7 and 4 respectively. Application of the varying dosage; (2% Feo w/v, 4% Feo w/v, 6% Feo w/v) reflected an increasing trend as per the recorded degradation efficiency of 54.36 %, 67.28% and 79.38% respectively. Scanning electron microscopy (SEM) and Energy Dispersive X-ray Analysis (EDXA) were used to determine surface morphology and crystallinity of the particles respectively. The batch kinetic tests gave kinetics of a pseudo-first order along with the rate constants, Kobs of 0.2659 h-1, 0.2320 h-1 and 0.2066 h-1 after incubating 6% Feo w/v with 10 ppm, 15 ppm and 20 ppm of Metribuzin respectively. The residual metribuzin was monitored in the solution by using of high performance liquid chromatography (HPLC) and UV Spectrophotometer. Thus, we present nZVI as an alternative rapid method for the detoxification of metribuzin.","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84740494","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}
Oxidative stress is an imbalance between oxidants and antioxidants, play an important role in the development of Rheumatoid Arthritis. Rheumatoid Arthritis regard as a chronic, autoimmune disease. The aim of the study to assess levels of some oxidative stress biomarker in Rheumatoid Arthritis. This study involves 80 Rheumatoid arthritis patients and 30 healthy subjects as control groups. Analysis on serum samples was Malondialdehyde, Albumin, and total Bilirubin. The obtained data showed significantly increasing (P<0.01) in level of oxidant parameter Malondialdehyde and significantly decrease (P<0.01) in endogenous antioxidant albumin and total bilirubin in comparison with the control group which may be due to increased activity of immune system which involves reactive oxygen species in its action. The reactive oxygen species of originated from the immune system have the crucial role in oxidative stress situation in Rheumatoid arthritis
{"title":"Effect of Oxidative Stress on Iraqi Rheumatoid Arthritis Patients","authors":"Weaam F. Hussain, W. Al-Hashemi","doi":"10.22401/JNUS.21.2.04","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.04","url":null,"abstract":"Oxidative stress is an imbalance between oxidants and antioxidants, play an important role in the development of Rheumatoid Arthritis. Rheumatoid Arthritis regard as a chronic, autoimmune disease. The aim of the study to assess levels of some oxidative stress biomarker in Rheumatoid Arthritis. This study involves 80 Rheumatoid arthritis patients and 30 healthy subjects as control groups. Analysis on serum samples was Malondialdehyde, Albumin, and total Bilirubin. The obtained data showed significantly increasing (P<0.01) in level of oxidant parameter Malondialdehyde and significantly decrease (P<0.01) in endogenous antioxidant albumin and total bilirubin in comparison with the control group which may be due to increased activity of immune system which involves reactive oxygen species in its action. The reactive oxygen species of originated from the immune system have the crucial role in oxidative stress situation in Rheumatoid arthritis","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"37 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89648238","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}
The adsorption of thymol blue anionic color by allium sativum store was right off the bat considered in a cluster framework at different color fixations. The adsorption was considered as an element of adsorbent measurements, contact time, pH, temperature and ionic quality under group adsorption strategy. The balance information fit with Freundlich and Tekmin equations of adsorption and the straight relapse factors R2 was utilized to clarify the best fitting isotherm demonstrate. Diverse thermodynamic factors, similar to ΔGo vitality, ΔHo and ΔSo of the on-going adsorption operation have additionally been assessed. The thermodynamic examinations of the color adsorption on allium sativum store demonstrated that the framework was endothermic in nature. Group adsorption models in light of the presumption of the pseudo first request and pseudo-second request component were connected to inspect the energy of the adsorption. The outcomes demonstrated that dynamic information were taken after more intently the pseudo-second request display than the pseudo-first request.
{"title":"Study The Adsorption of Thymol Blue Dye on Plant Allium Sativum","authors":"Zahraa A. Mahmood","doi":"10.22401/JNUS.21.2.06","DOIUrl":"https://doi.org/10.22401/JNUS.21.2.06","url":null,"abstract":"The adsorption of thymol blue anionic color by allium sativum store was right off the bat considered in a cluster framework at different color fixations. The adsorption was considered as an element of adsorbent measurements, contact time, pH, temperature and ionic quality under group adsorption strategy. The balance information fit with Freundlich and Tekmin equations of adsorption and the straight relapse factors R2 was utilized to clarify the best fitting isotherm demonstrate. Diverse thermodynamic factors, similar to ΔGo vitality, ΔHo and ΔSo of the on-going adsorption operation have additionally been assessed. The thermodynamic examinations of the color adsorption on allium sativum store demonstrated that the framework was endothermic in nature. Group adsorption models in light of the presumption of the pseudo first request and pseudo-second request component were connected to inspect the energy of the adsorption. The outcomes demonstrated that dynamic information were taken after more intently the pseudo-second request display than the pseudo-first request.","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"21 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83251002","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 theoretical study of semi-empirical calculation of PM3 level was used to characterize three Tin complexes (R2SnL2) [where (R): (Phenyl), (butyl) and (methyl) and L: (N-tolyl -m-methoxybenzo hydroxamic acid) ]. The comparison of the three complexes that have different (R) had been done on the basis of calculated energies and physical properties of the molecular model systems, such as heat of formation, HOMO-LUMO gap, binding energy, dipole moment, surface area. This present study revealed a clear picture and useful information about the nature of complex stability of the three Tin complexes R2SnL2
{"title":"Theoretical Approach to Study the Nature and Structure of Organotin (IV) Derivatives","authors":"F. M. Abdul-Hameed","doi":"10.22401/JNUS.21.1.05","DOIUrl":"https://doi.org/10.22401/JNUS.21.1.05","url":null,"abstract":"A theoretical study of semi-empirical calculation of PM3 level was used to characterize three Tin complexes (R2SnL2) [where (R): (Phenyl), (butyl) and (methyl) and L: (N-tolyl -m-methoxybenzo hydroxamic acid) ]. The comparison of the three complexes that have different (R) had been done on the basis of calculated energies and physical properties of the molecular model systems, such as heat of formation, HOMO-LUMO gap, binding energy, dipole moment, surface area. This present study revealed a clear picture and useful information about the nature of complex stability of the three Tin complexes R2SnL2","PeriodicalId":14922,"journal":{"name":"Journal of Al-Nahrain University-Science","volume":"89 1","pages":"27-34"},"PeriodicalIF":0.0,"publicationDate":"2018-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73726903","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}
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