Pub Date : 2015-07-01DOI: 10.4018/IJCCE.2015070103
T. Chakraborty, S. Dhail
Recently Maria S. Gualdesi et al., have reported about bioactive lamivudine and its carbonate derivatives with proved activity against human immunodeficiency disease anti-HIV and hepatitis B viruses anti-HBV respectively in simulated gastric and intestinal fluids samples. This is one of the simplest, sensitive, accurate and precise assays for determining all the compounds which are readily adaptable for routine use in clinical laboratories. Employing simple chromatographic technique, they have lucidly explained the kinetic and stability features of lamivudine and its carbonate derivatives. But a theoretical quantum mechanical study of aforesaid compounds is yet to explore. In this report, the authors have made a correlation between experimental properties of lamivudine derivatives with their theoretical counterparts. They have invoked DFT based global and local descriptors to explore the effect of substituents on activity and mechanistic pathway of instant compounds respectively. Their computed data reveals a hand to hand relationship between experimental and theoretical parameters. Finally, a QSAR model has been proposed in terms of DFT based global descriptors.
最近Maria S. Gualdesi等人报道了拉米夫定及其碳酸盐衍生物在模拟胃液和肠液样本中分别具有抗人类免疫缺陷疾病、抗hiv和抗hbv的生物活性。这是一种最简单、灵敏、准确和精确的测定所有化合物的方法，很容易适应临床实验室的常规使用。采用简单的色谱技术，清楚地解释了拉米夫定及其碳酸盐衍生物的动力学和稳定性特征。但上述化合物的理论量子力学研究还有待探索。在本报告中，作者对拉米夫定衍生物的实验性质与其理论对应物进行了相关性分析。他们分别调用基于DFT的全局描述符和局部描述符来探讨取代基对速溶化合物活性和机理途径的影响。他们的计算数据揭示了实验参数和理论参数之间的对应关系。最后，提出了一种基于DFT全局描述符的QSAR模型。
{"title":"Theoretical Study of Lamivudine Derivatives Invoking DFT based Descriptors","authors":"T. Chakraborty, S. Dhail","doi":"10.4018/IJCCE.2015070103","DOIUrl":"https://doi.org/10.4018/IJCCE.2015070103","url":null,"abstract":"Recently Maria S. Gualdesi et al., have reported about bioactive lamivudine and its carbonate derivatives with proved activity against human immunodeficiency disease anti-HIV and hepatitis B viruses anti-HBV respectively in simulated gastric and intestinal fluids samples. This is one of the simplest, sensitive, accurate and precise assays for determining all the compounds which are readily adaptable for routine use in clinical laboratories. Employing simple chromatographic technique, they have lucidly explained the kinetic and stability features of lamivudine and its carbonate derivatives. But a theoretical quantum mechanical study of aforesaid compounds is yet to explore. In this report, the authors have made a correlation between experimental properties of lamivudine derivatives with their theoretical counterparts. They have invoked DFT based global and local descriptors to explore the effect of substituents on activity and mechanistic pathway of instant compounds respectively. Their computed data reveals a hand to hand relationship between experimental and theoretical parameters. Finally, a QSAR model has been proposed in terms of DFT based global descriptors.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"83 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127191145","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}
Pub Date : 2015-07-01DOI: 10.4018/IJCCE.2015070104
A. Daghbandan, Seyed Mahdi Chalik
Simulation model of an undeveloped oil reservoir is full of uncertainty. Assessing the effect of these parameters on the simulation results, is very important task in reservoir engineering. Making a proxy model is a method for forecast reservoir performance under different production scenarios. In this study, GMDH-type neural network is used as a proxy model and also Experimental Design theory is used to get the most information full data set which is applied to the input of the neural network. The traditional way needs to very large number of simulation but this method is very time consuming and costly. A sensitivity analysis was conducted to understand the most important initial parameters. In this study, proxy model is created to predict FOPR, Field Oil Production Rate, in a reservoir under immiscible gas injection scenario to 15 years.
{"title":"The Prediction of the Performance of an Oil Reservoir by Proxy Model: A Case Study","authors":"A. Daghbandan, Seyed Mahdi Chalik","doi":"10.4018/IJCCE.2015070104","DOIUrl":"https://doi.org/10.4018/IJCCE.2015070104","url":null,"abstract":"Simulation model of an undeveloped oil reservoir is full of uncertainty. Assessing the effect of these parameters on the simulation results, is very important task in reservoir engineering. Making a proxy model is a method for forecast reservoir performance under different production scenarios. In this study, GMDH-type neural network is used as a proxy model and also Experimental Design theory is used to get the most information full data set which is applied to the input of the neural network. The traditional way needs to very large number of simulation but this method is very time consuming and costly. A sensitivity analysis was conducted to understand the most important initial parameters. In this study, proxy model is created to predict FOPR, Field Oil Production Rate, in a reservoir under immiscible gas injection scenario to 15 years.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129360790","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}
Pub Date : 2013-09-10DOI: 10.4018/ijcce.2013010105
N. Jorge, A. Hernández-Laguna, E. Castro
The authors present a review on some recent developments on the synthesis, chemical reactivity and theoretical studies of Tetroxanes analysing their main physical chemistry properties. The authors examine the critical points of the PES of different conformers, and reaction paths at singlet ground state and triplet state of the tetroxane, leader member of the cyclic diperoxide compound family.
{"title":"Some Recent Developments on the Synthesis, Chemical Reactivity, and Theoretical Studies of Tetroxanes","authors":"N. Jorge, A. Hernández-Laguna, E. Castro","doi":"10.4018/ijcce.2013010105","DOIUrl":"https://doi.org/10.4018/ijcce.2013010105","url":null,"abstract":"The authors present a review on some recent developments on the synthesis, chemical reactivity and theoretical studies of Tetroxanes analysing their main physical chemistry properties. The authors examine the critical points of the PES of different conformers, and reaction paths at singlet ground state and triplet state of the tetroxane, leader member of the cyclic diperoxide compound family.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130710509","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}
Pub Date : 2013-07-01DOI: 10.4018/ijcce.2013070101
F. Torrens, G. Castellano
Algorithms for classification and taxonomy are proposed based on criteria as information entropy and its production. It is classified a series of 5-amino-2-aroylquinolines AAQs and 4-aroyl-6,7,8-trimethoxyquinolines TMQs combretastatin analogues for anti-cancer activity. 5-Amino-6-methoxy-2-aroylquinoline AAQ showed anti-proliferative activity more potent as compared to combretastatin A-4 CA4, against various human cancer cell lines and a multidrug resistance MDR cancer cell line. On the basis of AAQ/TMQ structure-activity relationship new derivatives are designed. The AAQs/TMQs are classified using nine characteristic chemical properties in molecules. Many classification algorithms are based on information entropy. When applying the procedures to sets of moderate size, an excessive number of results appear compatible with data and suffer a combinatorial explosion. However, after equipartition conjecture, one has a selection criterion between different variants resulting from classification between hierarchical trees. A classification of anti-cancer agents is obtained. The features denote positions R2-8 on the quinoline bicycle.
提出了基于信息熵及其产生准则的分类和分类算法。它被归类为一系列具有抗癌活性的5-氨基-2-芳基喹啉类aaq和4-芳基-6,7,8-三甲氧基喹啉类tmq。与combretastatin a -4 CA4相比，5-氨基-6-甲氧基-2-芳基喹啉AAQ对多种人类癌细胞系和耐多药耐药癌细胞系表现出更强的抗增殖活性。在AAQ/TMQ构效关系的基础上，设计了新的衍生物。aaq / tmq是根据分子的九种特征化学性质来分类的。许多分类算法都是基于信息熵的。当将程序应用于中等大小的集合时，过多的结果似乎与数据兼容，并遭受组合爆炸。然而，经过等分猜想后，在层次树之间的分类产生的不同变体之间有了选择标准。得到了抗癌药物的分类。这些特征表示喹啉环上R2-8的位置。
{"title":"Molecular Classification of 5-Amino-2-Aroylquinolines and 4-Aroyl-6, 7, 8-Trimethoxyquinolines as Highly Potent Tubulin Polymerization Inhibitors","authors":"F. Torrens, G. Castellano","doi":"10.4018/ijcce.2013070101","DOIUrl":"https://doi.org/10.4018/ijcce.2013070101","url":null,"abstract":"Algorithms for classification and taxonomy are proposed based on criteria as information entropy and its production. It is classified a series of 5-amino-2-aroylquinolines AAQs and 4-aroyl-6,7,8-trimethoxyquinolines TMQs combretastatin analogues for anti-cancer activity. 5-Amino-6-methoxy-2-aroylquinoline AAQ showed anti-proliferative activity more potent as compared to combretastatin A-4 CA4, against various human cancer cell lines and a multidrug resistance MDR cancer cell line. On the basis of AAQ/TMQ structure-activity relationship new derivatives are designed. The AAQs/TMQs are classified using nine characteristic chemical properties in molecules. Many classification algorithms are based on information entropy. When applying the procedures to sets of moderate size, an excessive number of results appear compatible with data and suffer a combinatorial explosion. However, after equipartition conjecture, one has a selection criterion between different variants resulting from classification between hierarchical trees. A classification of anti-cancer agents is obtained. The features denote positions R2-8 on the quinoline bicycle.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127140706","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}
Pub Date : 2013-07-01DOI: 10.4018/ijcce.2013070103
Sourav Mandal, Somnath Pal
One of the basic needs of chemoinformatics is to represents chemical compounds graphically in computer. Among several matrix representations of chemical graphs, BE-Matrix is one of the popular choices to represent molecules. There are several line notations available to input a chemical graph. Although several algorithms exist to convert from different line notations to suitable computer representations but using IUPAC Name, a line notation, to give input to the computer is not a popular method, because of the lack of suitable algorithm from IUPAC names to BE-Matrix or its variants. However, each and every chemist is familiar with IUPAC names, and therefore it calls for development of a suitable algorithm for such purpose. In this paper a three-pass algorithm for generating BE-Matrix from IUPAC name have been proposed and illustrated with suitable examples. The third pass of the algorithm can independently be used to convert from symbolic chemical names of any compound to BE-Matrix, thus making task of a chemist much simpler.
{"title":"A Three-Pass Algorithm for Generation of BE-Matrices from IUPAC Names","authors":"Sourav Mandal, Somnath Pal","doi":"10.4018/ijcce.2013070103","DOIUrl":"https://doi.org/10.4018/ijcce.2013070103","url":null,"abstract":"One of the basic needs of chemoinformatics is to represents chemical compounds graphically in computer. Among several matrix representations of chemical graphs, BE-Matrix is one of the popular choices to represent molecules. There are several line notations available to input a chemical graph. Although several algorithms exist to convert from different line notations to suitable computer representations but using IUPAC Name, a line notation, to give input to the computer is not a popular method, because of the lack of suitable algorithm from IUPAC names to BE-Matrix or its variants. However, each and every chemist is familiar with IUPAC names, and therefore it calls for development of a suitable algorithm for such purpose. In this paper a three-pass algorithm for generating BE-Matrix from IUPAC name have been proposed and illustrated with suitable examples. The third pass of the algorithm can independently be used to convert from symbolic chemical names of any compound to BE-Matrix, thus making task of a chemist much simpler.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128128225","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}
Pub Date : 2013-07-01DOI: 10.4018/ijcce.2013070105
H. Ghanadzadeh, Milad Sangashekan, Shahin Asan
Experimental solubility curves and tie-line data for the water + phenol + 2-ethyl-1-hexanol system was obtained at T = 298.2 K and atmospheric pressure. The tie-line data was determined by techniques karl-fischer and refractometry. This ternary system exhibits type-2 behavior of LLE. Distribution coefficients and separation factors were measured to evaluate the extracting ability of the solvent. The consistency of the experimental tie-line data was determined through the Othmer-Tobias and Bachman equations. The data were correlated with the NRTL a = 0.25 and UNIQUAC models and the parameters estimated present root mean square deviations below 0.50%.
得到了水+苯酚+ 2-乙基-1-己醇体系在T = 298.2 K和常压条件下的实验溶解度曲线和联络线数据。系线数据由卡尔费歇尔法和折射法测定。该三元体系表现出LLE的2型行为。测定了溶剂的分布系数和分离系数，评价了溶剂的提取能力。利用other - tobias方程和Bachman方程确定了实验系线数据的一致性。数据与NRTL a = 0.25和UNIQUAC模型相关，参数估计的均方根偏差小于0.50%。
{"title":"(Liquid + Liquid) Equilibrium for Ternary System of (Water + Phenol + Cyclohexane) at T = 298.2 K","authors":"H. Ghanadzadeh, Milad Sangashekan, Shahin Asan","doi":"10.4018/ijcce.2013070105","DOIUrl":"https://doi.org/10.4018/ijcce.2013070105","url":null,"abstract":"Experimental solubility curves and tie-line data for the water + phenol + 2-ethyl-1-hexanol system was obtained at T = 298.2 K and atmospheric pressure. The tie-line data was determined by techniques karl-fischer and refractometry. This ternary system exhibits type-2 behavior of LLE. Distribution coefficients and separation factors were measured to evaluate the extracting ability of the solvent. The consistency of the experimental tie-line data was determined through the Othmer-Tobias and Bachman equations. The data were correlated with the NRTL a = 0.25 and UNIQUAC models and the parameters estimated present root mean square deviations below 0.50%.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131336137","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}
Pub Date : 2013-07-01DOI: 10.4018/IJCCE.20130701010
P. Patnaik
Bacteria navigating in a chemically guided manner are under the impact of noise from at least three sources-inside the cells, at the binding sites between chemoattractants in the environment and corresponding receptors of the cells, and in the environment itself. For Escherichia coli as model system, compounded effects of these sources of noise were investigated recently by using the fractal dimensions of the trajectories of the cells as an index of the nature of population motility. It was observed that environmental noise can drive synchronized movement of a population toward a chemoattractant into stochastic chaos. Those results have been used here to explore the effectiveness of different kinds of noise filters in restoring coherent motion of the cells. An auto-associative neural filter was the best, followed by the extended Kalman filter. The performance of either filter depended on the relative rates of motion of the bacteria and the chemoattractant, and on whether the responses of the cells to fluctuations in the external chemoattractant was non-adaptive or adaptive. The results establish: a the validity and usefulness of fractal indexes to characterize noise-affected chemotaxis, b the significance of the effect of environmental noise on chemotactic motility, and c the effectiveness of a neural filter in rescuing coherent population movement from noise-induced chaos.
{"title":"Restoration of Coherent Population Movement from Noise-Induced Chaos in the Chemotaxis of E. Coli: A Fractal Interpretation","authors":"P. Patnaik","doi":"10.4018/IJCCE.20130701010","DOIUrl":"https://doi.org/10.4018/IJCCE.20130701010","url":null,"abstract":"Bacteria navigating in a chemically guided manner are under the impact of noise from at least three sources-inside the cells, at the binding sites between chemoattractants in the environment and corresponding receptors of the cells, and in the environment itself. For Escherichia coli as model system, compounded effects of these sources of noise were investigated recently by using the fractal dimensions of the trajectories of the cells as an index of the nature of population motility. It was observed that environmental noise can drive synchronized movement of a population toward a chemoattractant into stochastic chaos. Those results have been used here to explore the effectiveness of different kinds of noise filters in restoring coherent motion of the cells. An auto-associative neural filter was the best, followed by the extended Kalman filter. The performance of either filter depended on the relative rates of motion of the bacteria and the chemoattractant, and on whether the responses of the cells to fluctuations in the external chemoattractant was non-adaptive or adaptive. The results establish: a the validity and usefulness of fractal indexes to characterize noise-affected chemotaxis, b the significance of the effect of environmental noise on chemotactic motility, and c the effectiveness of a neural filter in rescuing coherent population movement from noise-induced chaos.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124246670","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}
Pub Date : 2013-07-01DOI: 10.4018/ijcce.2013070107
M. Akbarizadeh, Allahyar Daghbandan, M. Yaghoobi
Coagulation-flocculation is the most important parts of water treatment process. Traditionally, optimum pre coagulant dosage is determined by used jar tests in laboratory. However; jar tests are time-consuming, expensive, and less adaptive to changes in raw water quality in real time. Soft computing can be used to overcome these limitations. In this paper, multi-objective evolutionary Pareto optimal design of GMDH Type-Neural Network has been used for modeling and predicting of optimum poly electrolyte dosage in Rasht WTP, Guilan, Iran, using Input-output data sets. In this way, multi-objective uniform-diversity genetic algorithms MUGA are then used for Pareto optimization of GMDH networks. In order to achieve this modeling, the experimental data were divided into train and test sections. The predicted values were compared with those of experimental values in order to estimate the performance of the GMDH network. Also, Multi Objective Genetic Algorithms MOGA are then used for optimization of influence parameters in pre coagulant Poly electrolyte dosage.
{"title":"Modeling and Optimization of Poly Electrolyte Dosage in Water Treatment Process by GMDH Type- NN and MOGA","authors":"M. Akbarizadeh, Allahyar Daghbandan, M. Yaghoobi","doi":"10.4018/ijcce.2013070107","DOIUrl":"https://doi.org/10.4018/ijcce.2013070107","url":null,"abstract":"Coagulation-flocculation is the most important parts of water treatment process. Traditionally, optimum pre coagulant dosage is determined by used jar tests in laboratory. However; jar tests are time-consuming, expensive, and less adaptive to changes in raw water quality in real time. Soft computing can be used to overcome these limitations. In this paper, multi-objective evolutionary Pareto optimal design of GMDH Type-Neural Network has been used for modeling and predicting of optimum poly electrolyte dosage in Rasht WTP, Guilan, Iran, using Input-output data sets. In this way, multi-objective uniform-diversity genetic algorithms MUGA are then used for Pareto optimization of GMDH networks. In order to achieve this modeling, the experimental data were divided into train and test sections. The predicted values were compared with those of experimental values in order to estimate the performance of the GMDH network. Also, Multi Objective Genetic Algorithms MOGA are then used for optimization of influence parameters in pre coagulant Poly electrolyte dosage.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133421269","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}
Pub Date : 2013-07-01DOI: 10.4018/ijcce.2013070108
G. Aliyev
In the paper the author suggests a model of mechanical deformation of a polymerized bar made of fibres in the neck with regard to forces interacting with a matrix. In the paper, the author suggests an experimental-theoretical method that allows one to define the character of deformation non-homogeneity in the neck area. In particular, analytic dependence of mechanical properties of the material on longitudinal coordinate of the sample is established. Numerical comparison of theoretical results with experimental ones is given.
{"title":"Physical-Mechanical Model of Fibrous Polymerized Bar Deformation at the Neck Zone","authors":"G. Aliyev","doi":"10.4018/ijcce.2013070108","DOIUrl":"https://doi.org/10.4018/ijcce.2013070108","url":null,"abstract":"In the paper the author suggests a model of mechanical deformation of a polymerized bar made of fibres in the neck with regard to forces interacting with a matrix. In the paper, the author suggests an experimental-theoretical method that allows one to define the character of deformation non-homogeneity in the neck area. In particular, analytic dependence of mechanical properties of the material on longitudinal coordinate of the sample is established. Numerical comparison of theoretical results with experimental ones is given.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"164 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116290645","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}
Pub Date : 2013-07-01DOI: 10.4018/ijcce.2013070102
Punchithaya K. Sripathi, K. M. Balakrishna
K-shell fluorescence yields of low, medium Z and rare earth elements were determined using SiPIN detector and HPGe detector employing reflection geometry set up. Target atoms were excited using 59.5 keV gamma rays emerging from Am-241 source of strength 300 mCi. Background radiation and multiple scattering effects were minimized by properly shielding the detector. The elemental foils of uniform thickness and 99.9% purity were used in the present investigation. The fluorescent spectra were recorded in an 8K and 16K multi channel analyzer. The data were carefully analyzed and total K-shell fluorescence yields were calculated. The resulting yield values are compared with the available experimental and theoretical values.
{"title":"K-Shell X-Ray Fluorescence Studies of Some Elements in the Atomic Number Range 26 = Z = 70","authors":"Punchithaya K. Sripathi, K. M. Balakrishna","doi":"10.4018/ijcce.2013070102","DOIUrl":"https://doi.org/10.4018/ijcce.2013070102","url":null,"abstract":"K-shell fluorescence yields of low, medium Z and rare earth elements were determined using SiPIN detector and HPGe detector employing reflection geometry set up. Target atoms were excited using 59.5 keV gamma rays emerging from Am-241 source of strength 300 mCi. Background radiation and multiple scattering effects were minimized by properly shielding the detector. The elemental foils of uniform thickness and 99.9% purity were used in the present investigation. The fluorescent spectra were recorded in an 8K and 16K multi channel analyzer. The data were carefully analyzed and total K-shell fluorescence yields were calculated. The resulting yield values are compared with the available experimental and theoretical values.","PeriodicalId":132974,"journal":{"name":"Int. J. Chemoinformatics Chem. Eng.","volume":"58 2 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2013-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128630120","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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