I. Matveyeva, N. Nursapina, T. Tuzova, B. Shynybek
The article presents the results of determination of concentration and isotope composition of uranium in waters and ice of the Pamiro-Alai. The obtained experimental data are the background for studying of the regularities of the formation of the effluent of mountain rivers. This work is significant because of the studied region is transboundary and is under the interest of the neighboring countries. Sampling was carried out during fieldwork in 2016 under the USAID-Afghanistan PEER454 project. Determination of uranium isotopes was carried out using high-resolution alpha-spectrometry after radiochemical isolation and purification. The main objects of this study are Kyzylsu and Muksu rivers with their tributaries, as well as the ice of this region. Three genetic types were determined based on the obtained experimental data. The first type includes atmospheric precipitations and young ice (ice from the glacier of Lenin and a spring near the Ters-Agar passage). The second type of water is characteristic for waters having contact with uranium-enriched rocks (the estuary of Kashkasu river). The third type of water is waters of deep circulation with active water exchange in mountain ranges with a high uranium concentration (eastern springhead of the Kyzylsu river). The calculations showed that the main source of most of the studied water bodies are atmospheric precipitations.
{"title":"Isotopes of uranium in waters and ice of Pamir–Alai","authors":"I. Matveyeva, N. Nursapina, T. Tuzova, B. Shynybek","doi":"10.15328/cb1006","DOIUrl":"https://doi.org/10.15328/cb1006","url":null,"abstract":"The article presents the results of determination of concentration and isotope composition of uranium in waters and ice of the Pamiro-Alai. The obtained experimental data are the background for studying of the regularities of the formation of the effluent of mountain rivers. This work is significant because of the studied region is transboundary and is under the interest of the neighboring countries. Sampling was carried out during fieldwork in 2016 under the USAID-Afghanistan PEER454 project. Determination of uranium isotopes was carried out using high-resolution alpha-spectrometry after radiochemical isolation and purification. The main objects of this study are Kyzylsu and Muksu rivers with their tributaries, as well as the ice of this region. Three genetic types were determined based on the obtained experimental data. The first type includes atmospheric precipitations and young ice (ice from the glacier of Lenin and a spring near the Ters-Agar passage). The second type of water is characteristic for waters having contact with uranium-enriched rocks (the estuary of Kashkasu river). The third type of water is waters of deep circulation with active water exchange in mountain ranges with a high uranium concentration (eastern springhead of the Kyzylsu river). The calculations showed that the main source of most of the studied water bodies are atmospheric precipitations.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":" ","pages":""},"PeriodicalIF":0.3,"publicationDate":"2018-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47743478","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. Seitzhanova, D. I. Chenchik, M. Yeleuov, Z. Mansurov, R. Capua, N. S. Elibaeva
In this work, a method of obtaining graphene layers from natural source specifically from rice husk was developed. A rice husk (RH) was used as a raw material, and potassium hydroxide was used as activation agent. The graphene layers were obtained after four successive stages: pre-carbonization, desilication in 1M NaOH solution, chemical activation and exfoliation of the carbonized rice husk (CRH). The obtained samples were studied using Raman spectroscopy, TEM and SEM; the Raman peaks evidenced the presence of graphene multilayers in the sample. A detailed observation of Raman spectroscopy showed that the obtained samples with ratio of 1/4 and 1/5 (RH/KOH) consisted of graphene layers with a high content of amorphous component. The yield of the product was ~ 3% by weight. This study can provide a new way to the large-scale synthesis of low-cost single and multi-layered graphene using rice husk or other renewable resources.
{"title":"Synthesis and characterization of graphene layers from rice husks","authors":"M. Seitzhanova, D. I. Chenchik, M. Yeleuov, Z. Mansurov, R. Capua, N. S. Elibaeva","doi":"10.15328/CB986","DOIUrl":"https://doi.org/10.15328/CB986","url":null,"abstract":"In this work, a method of obtaining graphene layers from natural source specifically from rice husk was developed. A rice husk (RH) was used as a raw material, and potassium hydroxide was used as activation agent. The graphene layers were obtained after four successive stages: pre-carbonization, desilication in 1M NaOH solution, chemical activation and exfoliation of the carbonized rice husk (CRH). The obtained samples were studied using Raman spectroscopy, TEM and SEM; the Raman peaks evidenced the presence of graphene multilayers in the sample. A detailed observation of Raman spectroscopy showed that the obtained samples with ratio of 1/4 and 1/5 (RH/KOH) consisted of graphene layers with a high content of amorphous component. The yield of the product was ~ 3% by weight. This study can provide a new way to the large-scale synthesis of low-cost single and multi-layered graphene using rice husk or other renewable resources.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":"1 1","pages":""},"PeriodicalIF":0.3,"publicationDate":"2018-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42198679","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}
Kh. S. Tassibekov, Zhenis Zh. Bekishev, R. Tokpayev, K. K. Kishibaev, A. Ismailova, S. Nechipurenko, S. Efremov, M. Nauryzbayev
The thermal destruction of wheat grain’s processing wastes from Almaty and South Kazakhstan regions was studieв. The structure of the products obtained depending on the temperature of the carbonization process was formed, and the basic physico-chemical characteristics of the obtained carbon material based on the WGPW were studied using thermogravimetric analysis, differential scanning calorimetry, IR spectroscopy and EPR spectroscopy. The analysis of the elemental composition of the obtained samples of the sorption material showed that the carbon content in the composition of the obtained carbon material is 75.08 - 76.12%, which in turn can cause a sufficiently high degree of sorption capacity of this material, as well as its mechanical strength. The obtained carbon materials based on OIP were modified with ammonium nitrate (NH4NO3) to improve its physico-chemical characteristics, such as specific surface area, porosity and adsorption capacity by iodine. It is shown that structural transformations of the processing waste of wheat grain (bran) in the process of heat treatment irrespective of temperature (in the studied interval) proceed through the stage of formation of free radicals. The concentration of free radicals formed in this process, as well as the composition of the graphite-like component of the products obtained, are determined by the temperature indices of the process.
{"title":"Mechanism of the thermochemical transformation of wheat grain’s processing waste during heat treatment","authors":"Kh. S. Tassibekov, Zhenis Zh. Bekishev, R. Tokpayev, K. K. Kishibaev, A. Ismailova, S. Nechipurenko, S. Efremov, M. Nauryzbayev","doi":"10.15328/cb1007","DOIUrl":"https://doi.org/10.15328/cb1007","url":null,"abstract":"The thermal destruction of wheat grain’s processing wastes from Almaty and South Kazakhstan regions was studieв. The structure of the products obtained depending on the temperature of the carbonization process was formed, and the basic physico-chemical characteristics of the obtained carbon material based on the WGPW were studied using thermogravimetric analysis, differential scanning calorimetry, IR spectroscopy and EPR spectroscopy. The analysis of the elemental composition of the obtained samples of the sorption material showed that the carbon content in the composition of the obtained carbon material is 75.08 - 76.12%, which in turn can cause a sufficiently high degree of sorption capacity of this material, as well as its mechanical strength. The obtained carbon materials based on OIP were modified with ammonium nitrate (NH4NO3) to improve its physico-chemical characteristics, such as specific surface area, porosity and adsorption capacity by iodine. It is shown that structural transformations of the processing waste of wheat grain (bran) in the process of heat treatment irrespective of temperature (in the studied interval) proceed through the stage of formation of free radicals. The concentration of free radicals formed in this process, as well as the composition of the graphite-like component of the products obtained, are determined by the temperature indices of the process.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":" ","pages":""},"PeriodicalIF":0.3,"publicationDate":"2018-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44343609","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}
Quantification of transformation products of unsymmetrical dimethylhydrazine (UDMH) in soil requires tedious, time- and labor-consuming sample preparation. The simple and fast method for quantification of transformation products of UDMH in aqueous extracts from soil using vacuum-assisted headspace solid-phase microextraction (Vac-HSSPME) was optimized in this work. The method is based on extraction of analytes from soil with water followed by Vac-HSSPME of the obtained aqueous extracts, and gas chromatography-mass spectrometry analysis. The target transformation products were: pyrazine, 1-methyl-1H-pyrazole, N-nitrosodimethylamine, N,N-dimethylformamide, 1-methyl-1Н-1,2,4-triazole, 1-methyl-imidazole and 1H-pyrazole. The effect of a sample pH on responses of target analytes was studied. It was negligible, and no pH adjustment was recommended before a subsequent extraction. The water amount was optimized to provide the best combination of analytes responses and their precision. Extraction by adding 7.00 mL of water to 2.0 g of soil ensured linear dependence of responses of the analytes on their concentrations in soil. The optimized method provided detection limits of target analytes in soil in the range from 0.2 to 9 ng/g. The spike recoveries obtained for model samples were in the range 90-103%. The developed method can be recommended for application in laboratories conducting routine analyses of soil samples potentially contaminated by rocket fuel residuals.
{"title":"Quantification of transformation products of unsymmetrical dimethylhydrazine in aqueous extracts from soil\u0000based on vacuum-assisted headspace solid-phase microextraction","authors":"D. Orazbayeva, B. Kenessov, A. Zhakupbekova","doi":"10.15328/CB1014","DOIUrl":"https://doi.org/10.15328/CB1014","url":null,"abstract":"Quantification of transformation products of unsymmetrical dimethylhydrazine (UDMH) in soil requires tedious, time- and labor-consuming sample preparation. The simple and fast method for quantification of transformation products of UDMH in aqueous extracts from soil using vacuum-assisted headspace solid-phase microextraction (Vac-HSSPME) was optimized in this work. The method is based on extraction of analytes from soil with water followed by Vac-HSSPME of the obtained aqueous extracts, and gas chromatography-mass spectrometry analysis. The target transformation products were: pyrazine, 1-methyl-1H-pyrazole, N-nitrosodimethylamine, N,N-dimethylformamide, 1-methyl-1Н-1,2,4-triazole, 1-methyl-imidazole and 1H-pyrazole. The effect of a sample pH on responses of target analytes was studied. It was negligible, and no pH adjustment was recommended before a subsequent extraction. The water amount was optimized to provide the best combination of analytes responses and their precision. Extraction by adding 7.00 mL of water to 2.0 g of soil ensured linear dependence of responses of the analytes on their concentrations in soil. The optimized method provided detection limits of target analytes in soil in the range from 0.2 to 9 ng/g. The spike recoveries obtained for model samples were in the range 90-103%. The developed method can be recommended for application in laboratories conducting routine analyses of soil samples potentially contaminated by rocket fuel residuals.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":" ","pages":""},"PeriodicalIF":0.3,"publicationDate":"2018-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44098538","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. Baimukhanova, E. T. Chakrova, D. Karaivanov, J. Kozempel, F. Roesch, D. Filosofov
68Ga (T1 / 2 = 68 min) in complexes with peptides is used in positron emission tomography for diagnostics of neuroendocrine tumors. The most promising strategy for 68Ga production is usage of the radionuclide generator 68Ge → 68Ga. In this research, the sorption behavior of Ge(IV) and Ga (III) has been studied. The distribution coefficients (Kd) of Ge(IV) on the anion exchange (Dowex 1×8) and cation exchange (Dowex 50×8) resins in various ethanedioic and hydrochloric acid solutions were determined. For each ion exchange resin, four series of measurements were carried out, in which the concentration of oxalic acid was fixed (0.001 M, 0.003 M, 0.005 M, 0.01 M), and the concentrations of hydrochloric acid ranged from 0 to 3 M. Based on the distribution coefficients, the chemical scheme of the radionuclide generator 68Ge → 68Ga has been developed. The chemical system is based on the anion exchange resin Dowex 1×8 and mixture of 0.005 M C2H2O4 / 0.33 M HCl. Several types of the generators with direct and reverse mode of elution were tested and the optimal scheme was determined. Elution of the generators was performed once a day with 8 ml of 0.005 M C2H2O4 / 0.33 M HCl solution. The 68Ga yield and the 68Ge breakthrough are comparable for all the systems.
{"title":"Production of the positron-emitting radionuclide 68Ga: the radiochemical scheme of radionuclide generator 68Ge → 68Ga","authors":"A. Baimukhanova, E. T. Chakrova, D. Karaivanov, J. Kozempel, F. Roesch, D. Filosofov","doi":"10.15328/cb1003","DOIUrl":"https://doi.org/10.15328/cb1003","url":null,"abstract":"68Ga (T1 / 2 = 68 min) in complexes with peptides is used in positron emission tomography for diagnostics of neuroendocrine tumors. The most promising strategy for 68Ga production is usage of the radionuclide generator 68Ge → 68Ga. In this research, the sorption behavior of Ge(IV) and Ga (III) has been studied. The distribution coefficients (Kd) of Ge(IV) on the anion exchange (Dowex 1×8) and cation exchange (Dowex 50×8) resins in various ethanedioic and hydrochloric acid solutions were determined. For each ion exchange resin, four series of measurements were carried out, in which the concentration of oxalic acid was fixed (0.001 M, 0.003 M, 0.005 M, 0.01 M), and the concentrations of hydrochloric acid ranged from 0 to 3 M. Based on the distribution coefficients, the chemical scheme of the radionuclide generator 68Ge → 68Ga has been developed. The chemical system is based on the anion exchange resin Dowex 1×8 and mixture of 0.005 M C2H2O4 / 0.33 M HCl. Several types of the generators with direct and reverse mode of elution were tested and the optimal scheme was determined. Elution of the generators was performed once a day with 8 ml of 0.005 M C2H2O4 / 0.33 M HCl solution. The 68Ga yield and the 68Ge breakthrough are comparable for all the systems.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":" ","pages":""},"PeriodicalIF":0.3,"publicationDate":"2018-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48675916","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 paper presents the analysis of literature data and research results on self-purification and self-purification ability of natural waters at arid zones (on example of closed Lake Balkhash). The self-purification processes are a combination of all natural (hydrodynamic, chemical, microbiological and hydrobiological) processes in contaminated natural waters. A large number of pollutants and specific (physical and geographical) conditions of reservoirs causes the complexity and variety of cleaning processes of natural waters. Large amounts of pollutants discharged into water reservoirs and drains impede the self-purification processes. It has been established that the sediments and clay of Lake Balkhash absorb the metal ions. Thus, the process of absorption of Mn2+ ions by clay minerals mainly occurs within the first three hours of contact, whereas sorption by slits continues until 10-15 days. The sediments are good absorbents for cadmium (90%), zinc (86%) and copper (78%). The sorption properties in the dynamic mode decreases in the row of zeolite (SEC = 1.02·10-3), then Fe (OH)3 (SEC = 0.28·10-3) and Al (OH)3 (SEC = 0.10·10-3 mmol-eq/g) with respect to Mn+2 ion with concentrations from 5.0 to 100 μg/L.
{"title":"Self-purification ability of natural waters in the arid zones","authors":"S. Romanova, R. Ryskaliyeva, O. Ponomarenko","doi":"10.15328/CB971","DOIUrl":"https://doi.org/10.15328/CB971","url":null,"abstract":"The paper presents the analysis of literature data and research results on self-purification and self-purification ability of natural waters at arid zones (on example of closed Lake Balkhash). The self-purification processes are a combination of all natural (hydrodynamic, chemical, microbiological and hydrobiological) processes in contaminated natural waters. A large number of pollutants and specific (physical and geographical) conditions of reservoirs causes the complexity and variety of cleaning processes of natural waters. Large amounts of pollutants discharged into water reservoirs and drains impede the self-purification processes. It has been established that the sediments and clay of Lake Balkhash absorb the metal ions. Thus, the process of absorption of Mn2+ ions by clay minerals mainly occurs within the first three hours of contact, whereas sorption by slits continues until 10-15 days. The sediments are good absorbents for cadmium (90%), zinc (86%) and copper (78%). The sorption properties in the dynamic mode decreases in the row of zeolite (SEC = 1.02·10-3), then Fe (OH)3 (SEC = 0.28·10-3) and Al (OH)3 (SEC = 0.10·10-3 mmol-eq/g) with respect to Mn+2 ion with concentrations from 5.0 to 100 μg/L.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":" ","pages":""},"PeriodicalIF":0.3,"publicationDate":"2018-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45009910","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}
G. Kurmangazhi, S. Tazhibayeva, K. Musabekov, B. E. Zhakipbayev
1Әл-Фараби Казақ ұлттық университеті, Алматы, Қазақстан 2М. Әуезов атындағы Оңтүстік Қазақстан университет, Шымкент, Қазақстан *Е-mail: Gulnarkhank@gmail.com Элмор әдісімен магнетит және магнетит-опока композиті бөлшектері синтезделді. Магнетит бөлшектерінің опока құрылымына енуі ИҚ-спектроскопия және рентгенфазалық талдау әдістерімен негізделді. Композиттің ИҚ-спектрінде тербеліс жиілігінің 1402 см-1 мәнінде магнетиттің Fe-O байланысына сәйкес шыңдар табылды. Опока, магнетит және олардың композитініңдифрактограммаларын салыстыру магнетит-опока жүйесінің дифрактограммасында 2θ бұрышының 37,15; 43,37 мәндерінде Fe3O4 қосылысына тән шыңдар пайда болатындығын көрсетті. Сонымен қатар 2θ бұрышының 21,48 и 26,56 мәндерінде силикаттарды сипаттайтын шыңдардың бәсеңдеуі байқалды. Метилен көгінің опока, магнетит және магнетит-опока композитінің бетіндегі адсорбциясы зерттелді. Адсорбция нәтижелері Лэнгмюр және Фрейндлих бойынша өңделді. Бояудың опока, магнетит және магнетит-опока композитінің бетіндегі максималды адсорбциясы сәйкесінше 133,3 мг/г, 85,0 мг/г және 166,6 мг/г құрайтындығы көрсетілді. Адсорбция константасы да магнетит-опока композитінде ең жоғары мәнге иеленді. Лэнгмюр және Фрейндлих бойынша анықталған адсорбция параметрлері өзара жақсы үйлесіп, опока мен магнетит-опока композитін метилен көгінің адсорбенті ретінде қолданудың тиімдігін растайды.
{"title":"Parameters of adsorption of methylene blue on the magnetite-flask composite surface","authors":"G. Kurmangazhi, S. Tazhibayeva, K. Musabekov, B. E. Zhakipbayev","doi":"10.15328/CB1002","DOIUrl":"https://doi.org/10.15328/CB1002","url":null,"abstract":"1Әл-Фараби Казақ ұлттық университеті, Алматы, Қазақстан 2М. Әуезов атындағы Оңтүстік Қазақстан университет, Шымкент, Қазақстан *Е-mail: Gulnarkhank@gmail.com Элмор әдісімен магнетит және магнетит-опока композиті бөлшектері синтезделді. Магнетит бөлшектерінің опока құрылымына енуі ИҚ-спектроскопия және рентгенфазалық талдау әдістерімен негізделді. Композиттің ИҚ-спектрінде тербеліс жиілігінің 1402 см-1 мәнінде магнетиттің Fe-O байланысына сәйкес шыңдар табылды. Опока, магнетит және олардың композитініңдифрактограммаларын салыстыру магнетит-опока жүйесінің дифрактограммасында 2θ бұрышының 37,15; 43,37 мәндерінде Fe3O4 қосылысына тән шыңдар пайда болатындығын көрсетті. Сонымен қатар 2θ бұрышының 21,48 и 26,56 мәндерінде силикаттарды сипаттайтын шыңдардың бәсеңдеуі байқалды. Метилен көгінің опока, магнетит және магнетит-опока композитінің бетіндегі адсорбциясы зерттелді. Адсорбция нәтижелері Лэнгмюр және Фрейндлих бойынша өңделді. Бояудың опока, магнетит және магнетит-опока композитінің бетіндегі максималды адсорбциясы сәйкесінше 133,3 мг/г, 85,0 мг/г және 166,6 мг/г құрайтындығы көрсетілді. Адсорбция константасы да магнетит-опока композитінде ең жоғары мәнге иеленді. Лэнгмюр және Фрейндлих бойынша анықталған адсорбция параметрлері өзара жақсы үйлесіп, опока мен магнетит-опока композитін метилен көгінің адсорбенті ретінде қолданудың тиімдігін растайды.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":"1 1","pages":"10-15"},"PeriodicalIF":0.3,"publicationDate":"2018-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46757962","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}
Akyl S. Tulegenov, B. Kenzhaliev, Zhansaya Qyzyrbek-qyzy Seilkhanova, Madina Muratbekovna Sartayeva
1Al-Farabi Kazakh National University, Almaty, Kazakhstan 2Kazakh-British Technical University, Almaty, Kazakhstan *E-mail: akyl.s.tulegenov@gmail.com The objective of present work is to construct structure-property models for the prediction of applied thermochemical properties of polyatomic molecules based on the mass distribution descriptors. The performance of the model was assessed based on the values of coefficients of determination and root mean square deviations. The results were compared with existing literature values, and it was observed that the mass distribution descriptors not relying on quantum-chemical information exhibit a similar performance compared to quantum-chemical QSPR models and can at least form the reliable foundation for the construction of the quantitative structure-property models. Conclusions were made about the possible applicability of the model.
{"title":"Mass distribution descriptors in modelling of sorption properties","authors":"Akyl S. Tulegenov, B. Kenzhaliev, Zhansaya Qyzyrbek-qyzy Seilkhanova, Madina Muratbekovna Sartayeva","doi":"10.15328/CB968","DOIUrl":"https://doi.org/10.15328/CB968","url":null,"abstract":"1Al-Farabi Kazakh National University, Almaty, Kazakhstan 2Kazakh-British Technical University, Almaty, Kazakhstan *E-mail: akyl.s.tulegenov@gmail.com The objective of present work is to construct structure-property models for the prediction of applied thermochemical properties of polyatomic molecules based on the mass distribution descriptors. The performance of the model was assessed based on the values of coefficients of determination and root mean square deviations. The results were compared with existing literature values, and it was observed that the mass distribution descriptors not relying on quantum-chemical information exhibit a similar performance compared to quantum-chemical QSPR models and can at least form the reliable foundation for the construction of the quantitative structure-property models. Conclusions were made about the possible applicability of the model.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":"1 1","pages":"16-23"},"PeriodicalIF":0.3,"publicationDate":"2018-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44416579","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}
Elena Viktorovna Zlobina, Dinara Sultankulovna Usmanova
{"title":"Определение примесей цветных и редкоземельных металлов в оксиде скандия методом масс-спектрометрии с индуктивно связанной плазмой","authors":"Elena Viktorovna Zlobina, Dinara Sultankulovna Usmanova","doi":"10.15328/CB752","DOIUrl":"https://doi.org/10.15328/CB752","url":null,"abstract":"","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":"1 1","pages":"24-32"},"PeriodicalIF":0.3,"publicationDate":"2018-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48919990","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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