This article considers general principle of predicting the difference in the reactivity of minerals and solvents in the conditions of their interaction at the interface between solid and liquid for cobalt minerals in the processing of mineral raw materials. The ideas of new properties of chemical affinity which allowed to carry out the forecast of a choice of efficiency of action of the dissolving reagent for opening of hardly soluble minerals of cobalt and the forecast of consecutive passing of the competing reaction proceeding on solid-liquid boundary at processing of mineral raw materials by a hydrochemical method at the level of an electron are stated. Previously unknown pattern of change the effectiveness of the solvent of the reagents and the sequence of passing a competing reaction was established, namely, that the effectiveness of the solvent of the reagent and the sequence of passing the subsequent reaction naturally varies with the calculated values given new chemical affinity (DrG0/n). It is practically proposed to use the average atomic energy of the formation of solids ΔfG0(averaged) and calculated value of the new chemical affinity DrG0/n to create scientific basis for the opening of cobalt minerals contained in the mineral raw materials with the least time.
{"title":"Patterns of non-traditional thermodynamic functions ΔrG0/n and ΔfG0(averaged) changes for cobalt minerals","authors":"K. Ospanov, Kenzhegali Smailov, Ye. Nuruly","doi":"10.15328/cb1005","DOIUrl":"https://doi.org/10.15328/cb1005","url":null,"abstract":"This article considers general principle of predicting the difference in the reactivity of minerals and solvents in the conditions of their interaction at the interface between solid and liquid for cobalt minerals in the processing of mineral raw materials. The ideas of new properties of chemical affinity which allowed to carry out the forecast of a choice of efficiency of action of the dissolving reagent for opening of hardly soluble minerals of cobalt and the forecast of consecutive passing of the competing reaction proceeding on solid-liquid boundary at processing of mineral raw materials by a hydrochemical method at the level of an electron are stated. Previously unknown pattern of change the effectiveness of the solvent of the reagents and the sequence of passing a competing reaction was established, namely, that the effectiveness of the solvent of the reagent and the sequence of passing the subsequent reaction naturally varies with the calculated values given new chemical affinity (DrG0/n). It is practically proposed to use the average atomic energy of the formation of solids ΔfG0(averaged) and calculated value of the new chemical affinity DrG0/n to create scientific basis for the opening of cobalt minerals contained in the mineral raw materials with the least time.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2020-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141220876","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}
N.Zh. Zhumasheva, Leyla Kudreeva, A. Kalyyeva, G. Badavamova
Processes involved in the electrodeposition of perrhenate ions were studied from two different potassium nitrate and sodium sulfate background electrolytes in the presence of citric acid on graphite electrode by cyclic voltammetry method. Anodic and cathodic potentials of deposited film were determined. After electrolysis process, morphology and content of obtained deposited layers were investigated by SEM and X-Ray methods. The coated film from sodium sulfate background electrolyte was not uniform and Re content was 60.83-65.5%, in case of potassium nitrate electrolyte, the deposited film was more densely located, and Re content was 80.94-82.52%. In the presence of nickel sulfate and citric acid, an alloy was formed with content of Re 80.94-82.52%, 14.10-11.83% of Ni, 4.96-5.66% of impurities, which were confirmed by X-Ray method. The current density decreased with addition of citric acid into sodium sulfate background electrolyte and in cathodic area, the reduction potential of perrhenate ions remained the same, but oxidation potentials changed from 0.25 to 0.35 V and from 0.5 to 0.6 V. The influence of citric acid on potentials of the processes of reduction and oxidation of perrhenate ions from potassium nitrate gave following results: reduction peaks shifted from -0.35 to -0.55 V, and multi peaks of oxidation appeared which were not noticeable without citric acid. It was shown that citric acid has inhibitory effect on reduction and oxidation of perrhenate ions. It is shown that the electrochemical reduction of perrhenate ions leads to the formation of rhenium dioxide in different forms.
{"title":"Electrodeposition process of perrhenate ions from KNO3 and Na2SO4 background electrolytes in the presence of citric acid","authors":"N.Zh. Zhumasheva, Leyla Kudreeva, A. Kalyyeva, G. Badavamova","doi":"10.15328/cb1087","DOIUrl":"https://doi.org/10.15328/cb1087","url":null,"abstract":"Processes involved in the electrodeposition of perrhenate ions were studied from two different potassium nitrate and sodium sulfate background electrolytes in the presence of citric acid on graphite electrode by cyclic voltammetry method. Anodic and cathodic potentials of deposited film were determined. After electrolysis process, morphology and content of obtained deposited layers were investigated by SEM and X-Ray methods. The coated film from sodium sulfate background electrolyte was not uniform and Re content was 60.83-65.5%, in case of potassium nitrate electrolyte, the deposited film was more densely located, and Re content was 80.94-82.52%. In the presence of nickel sulfate and citric acid, an alloy was formed with content of Re 80.94-82.52%, 14.10-11.83% of Ni, 4.96-5.66% of impurities, which were confirmed by X-Ray method. The current density decreased with addition of citric acid into sodium sulfate background electrolyte and in cathodic area, the reduction potential of perrhenate ions remained the same, but oxidation potentials changed from 0.25 to 0.35 V and from 0.5 to 0.6 V. The influence of citric acid on potentials of the processes of reduction and oxidation of perrhenate ions from potassium nitrate gave following results: reduction peaks shifted from -0.35 to -0.55 V, and multi peaks of oxidation appeared which were not noticeable without citric acid. It was shown that citric acid has inhibitory effect on reduction and oxidation of perrhenate ions. It is shown that the electrochemical reduction of perrhenate ions leads to the formation of rhenium dioxide in different forms.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2020-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48510215","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 systematic benchmark study was performed for the first time to investigate the performance of density functional theory for calculation of reduction potentials of vanadium compounds. Six density functionals of different types were selected for testing: local OLYP and M06L, global hybrid O3LYP and B3LYP, as well as, meta-hybrid functionals TPSSh and M06. Local and hybrid functionals with a relatively high contribution of Hartree-Fock exchange showed unsatisfactory results. In particular, the widely used hybrid functional B3LYP for the transformation VIII→VII occurring in the vanadium redox flow battery yields a negative value of the standard potential instead of a positive one. Among the tested functionals the smallest deviation from the experimental data provides the meta-hybrid functional TPSSh with a 10% contribution of the Hartree-Fock exchange. The computational protocol to calculate redox potentials of vanadium compounds is suggested.
{"title":"Benchmark study of the performance of density functional theory for reduction potentials of vanadium compounds","authors":"Samat Tussupbayev, G. Kudaibergenova","doi":"10.15328/cb1093","DOIUrl":"https://doi.org/10.15328/cb1093","url":null,"abstract":"A systematic benchmark study was performed for the first time to investigate the performance of density functional theory for calculation of reduction potentials of vanadium compounds. Six density functionals of different types were selected for testing: local OLYP and M06L, global hybrid O3LYP and B3LYP, as well as, meta-hybrid functionals TPSSh and M06. Local and hybrid functionals with a relatively high contribution of Hartree-Fock exchange showed unsatisfactory results. In particular, the widely used hybrid functional B3LYP for the transformation VIII→VII occurring in the vanadium redox flow battery yields a negative value of the standard potential instead of a positive one. Among the tested functionals the smallest deviation from the experimental data provides the meta-hybrid functional TPSSh with a 10% contribution of the Hartree-Fock exchange. The computational protocol to calculate redox potentials of vanadium compounds is suggested.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2020-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141220756","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}
This article considers general principle of predicting the difference in the reactivity of minerals and solvents in the conditions of their interaction at the interface between solid and liquid for cobalt minerals in the processing of mineral raw materials. The ideas of new properties of chemical affinity which allowed to carry out the forecast of a choice of efficiency of action of the dissolving reagent for opening of hardly soluble minerals of cobalt and the forecast of consecutive passing of the competing reaction proceeding on solid-liquid boundary at processing of mineral raw materials by a hydrochemical method at the level of an electron are stated. Previously unknown pattern of change the effectiveness of the solvent of the reagents and the sequence of passing a competing reaction was established, namely, that the effectiveness of the solvent of the reagent and the sequence of passing the subsequent reaction naturally varies with the calculated values given new chemical affinity (DrG0/n). It is practically proposed to use the average atomic energy of the formation of solids ΔfG0(averaged) and calculated value of the new chemical affinity DrG0/n to create scientific basis for the opening of cobalt minerals contained in the mineral raw materials with the least time.
{"title":"Patterns of non-traditional thermodynamic functions ΔrG0/n and ΔfG0(averaged) changes for cobalt minerals","authors":"K. Ospanov, Kenzhegali Smailov, Ye. Nuruly","doi":"10.15328/cb1005","DOIUrl":"https://doi.org/10.15328/cb1005","url":null,"abstract":"This article considers general principle of predicting the difference in the reactivity of minerals and solvents in the conditions of their interaction at the interface between solid and liquid for cobalt minerals in the processing of mineral raw materials. The ideas of new properties of chemical affinity which allowed to carry out the forecast of a choice of efficiency of action of the dissolving reagent for opening of hardly soluble minerals of cobalt and the forecast of consecutive passing of the competing reaction proceeding on solid-liquid boundary at processing of mineral raw materials by a hydrochemical method at the level of an electron are stated. Previously unknown pattern of change the effectiveness of the solvent of the reagents and the sequence of passing a competing reaction was established, namely, that the effectiveness of the solvent of the reagent and the sequence of passing the subsequent reaction naturally varies with the calculated values given new chemical affinity (DrG0/n). It is practically proposed to use the average atomic energy of the formation of solids ΔfG0(averaged) and calculated value of the new chemical affinity DrG0/n to create scientific basis for the opening of cobalt minerals contained in the mineral raw materials with the least time.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2020-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141220919","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}
P. Urkimbaeva, B. Bakytzhanuly, Yesen Dilmukhambetov, A. Mamutova, Z. Kenessova
Thermal insulating materials based on diatomite with burnable and reinforcing additives modified with synthetic and natural polymers have been developed. A mixture of polyvinyl alcohol and starch was used as modifying polymers. The parameters of linear shrinkage, density, tensile strengths in compression and bending, as well as the coefficient of thermal conductivity of the material were determined depending on the concentration and ratio of polymers. It was established that polymer additives had a positive effect on almost all specified characteristics of thermal insulating materials. For example, when adding polymers up to 1 mass.%, the linear shrinkage coefficients decrease from 14.5 to 4.5%, the ultimate compression strengths increase from 0.22 to 2.51 MPa, the ultimate bending strengths increase from 0.2 to 1.26 MPa, the coefficients of thermal conductivity decrease from 0.068 to 0.049 W/m∙K. The densities of materials are in the range of 0.592-0.491 g/cm3. The results of the work showed that the obtained heat-insulating materials can be used as plasticizers in the field of thermal energy.
{"title":"Influence of hydrophilic polymers based on polyvinyl alcohol and starch on physiсo-mechanical properties of thermal insulation materials","authors":"P. Urkimbaeva, B. Bakytzhanuly, Yesen Dilmukhambetov, A. Mamutova, Z. Kenessova","doi":"10.15328/cb1094","DOIUrl":"https://doi.org/10.15328/cb1094","url":null,"abstract":"Thermal insulating materials based on diatomite with burnable and reinforcing additives modified with synthetic and natural polymers have been developed. A mixture of polyvinyl alcohol and starch was used as modifying polymers. The parameters of linear shrinkage, density, tensile strengths in compression and bending, as well as the coefficient of thermal conductivity of the material were determined depending on the concentration and ratio of polymers. It was established that polymer additives had a positive effect on almost all specified characteristics of thermal insulating materials. For example, when adding polymers up to 1 mass.%, the linear shrinkage coefficients decrease from 14.5 to 4.5%, the ultimate compression strengths increase from 0.22 to 2.51 MPa, the ultimate bending strengths increase from 0.2 to 1.26 MPa, the coefficients of thermal conductivity decrease from 0.068 to 0.049 W/m∙K. The densities of materials are in the range of 0.592-0.491 g/cm3. The results of the work showed that the obtained heat-insulating materials can be used as plasticizers in the field of thermal energy.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2020-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43353155","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 systematic benchmark study was performed for the first time to investigate the performance of density functional theory for calculation of reduction potentials of vanadium compounds. Six density functionals of different types were selected for testing: local OLYP and M06L, global hybrid O3LYP and B3LYP, as well as, meta-hybrid functionals TPSSh and M06. Local and hybrid functionals with a relatively high contribution of Hartree-Fock exchange showed unsatisfactory results. In particular, the widely used hybrid functional B3LYP for the transformation VIII→VII occurring in the vanadium redox flow battery yields a negative value of the standard potential instead of a positive one. Among the tested functionals the smallest deviation from the experimental data provides the meta-hybrid functional TPSSh with a 10% contribution of the Hartree-Fock exchange. The computational protocol to calculate redox potentials of vanadium compounds is suggested.
{"title":"Benchmark study of the performance of density functional theory for reduction potentials of vanadium compounds","authors":"Samat Tussupbayev, G. Kudaibergenova","doi":"10.15328/cb1093","DOIUrl":"https://doi.org/10.15328/cb1093","url":null,"abstract":"A systematic benchmark study was performed for the first time to investigate the performance of density functional theory for calculation of reduction potentials of vanadium compounds. Six density functionals of different types were selected for testing: local OLYP and M06L, global hybrid O3LYP and B3LYP, as well as, meta-hybrid functionals TPSSh and M06. Local and hybrid functionals with a relatively high contribution of Hartree-Fock exchange showed unsatisfactory results. In particular, the widely used hybrid functional B3LYP for the transformation VIII→VII occurring in the vanadium redox flow battery yields a negative value of the standard potential instead of a positive one. Among the tested functionals the smallest deviation from the experimental data provides the meta-hybrid functional TPSSh with a 10% contribution of the Hartree-Fock exchange. The computational protocol to calculate redox potentials of vanadium compounds is suggested.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2020-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141221152","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}
Magauiya Esjan, B. Bekturgan, D. Kamysbayev, Bazarbay A. Serikbaev, A. Kokanbaev
A synthesis of bismuth selenide with a thickness of 3-4 nm on the surface of mica taken as a matrix was investigated using the gas-solid mechanism. Since discovery of two-dimensional atomic crystals of graphene in 2004, scientists have grown interested in exploring methods for synthesis of two-dimensional atomic crystal nanofilms. Among them, of particular interest are sulfides and transition metal selenides, such as molybdenum sulfide, tungsten selenide, bismuth selenide. Bismuth selenide possesses special thermoelectric, photoelectric properties, therefore there are wide possibilities for its use in such areas as thermoelectric devices, photosensitive elements, optical information keepers, etc. In this connection, there are many studies on the search for optimal methods for the synthesis of bismuth selenide. Each of the proposed methods has its own advantages and disadvantages. In the article, a variety of the recently used gas-liquid-solid mechanism (V-L-S) is used as a method for the synthesis of bismuth selenide. When using amorphous silicon dioxide as a matrix, the synthesized bismuth selenide is not uniform, and the synthesis process is uncontrollable. Therefore, in the work fluorinated gold mica was used as a matrix. The effect of temperature, gas feed rate on the size, shape and thickness of the film was investigated.
{"title":"Preparation of two-dimensional atomic crystal nanofilm of bismuth selenide of a large area","authors":"Magauiya Esjan, B. Bekturgan, D. Kamysbayev, Bazarbay A. Serikbaev, A. Kokanbaev","doi":"10.15328/CB1049","DOIUrl":"https://doi.org/10.15328/CB1049","url":null,"abstract":"A synthesis of bismuth selenide with a thickness of 3-4 nm on the surface of mica taken as a matrix was investigated using the gas-solid mechanism. Since discovery of two-dimensional atomic crystals of graphene in 2004, scientists have grown interested in exploring methods for synthesis of two-dimensional atomic crystal nanofilms. Among them, of particular interest are sulfides and transition metal selenides, such as molybdenum sulfide, tungsten selenide, bismuth selenide. Bismuth selenide possesses special thermoelectric, photoelectric properties, therefore there are wide possibilities for its use in such areas as thermoelectric devices, photosensitive elements, optical information keepers, etc. In this connection, there are many studies on the search for optimal methods for the synthesis of bismuth selenide. Each of the proposed methods has its own advantages and disadvantages. In the article, a variety of the recently used gas-liquid-solid mechanism (V-L-S) is used as a method for the synthesis of bismuth selenide. When using amorphous silicon dioxide as a matrix, the synthesized bismuth selenide is not uniform, and the synthesis process is uncontrollable. Therefore, in the work fluorinated gold mica was used as a matrix. The effect of temperature, gas feed rate on the size, shape and thickness of the film was investigated.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2020-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41791600","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}
Aidana B. Turlygaziyeva, G. Rakhymbay, Y. Bakhytzhan, A. Argimbayeva, B. Burkitbayeva
A synthesis of bismuth selenide with a thickness of 3-4 nm on the surface of mica taken as a matrix was investigated using the gas-solid mechanism. Since discovery of two-dimensional atomic crystals of graphene in 2004, scientists have grown interested in exploring methods for synthesis of two-dimensional atomic crystal nanofilms. Among them, of particular interest are sulfides and transition metal selenides, such as molybdenum sulfide, tungsten selenide, bismuth selenide. Bismuth selenide possesses special thermoelectric, photoelectric properties, therefore there are wide possibilities for its use in such areas as thermoelectric devices, photosensitive elements, optical information keepers, etc. In this connection, there are many studies on the search for optimal methods for the synthesis of bismuth selenide. Each of the proposed methods has its own advantages and disadvantages. In the article, a variety of the recently used gas-liquid-solid mechanism (V-L-S) is used as a method for the synthesis of bismuth selenide. When using amorphous silicon dioxide as a matrix, the synthesized bismuth selenide is not uniform, and the synthesis process is uncontrollable. Therefore, in the work fluorinated gold mica was used as a matrix. The effect of temperature, gas feed rate on the size, shape and thickness of the film was investigated.
{"title":"Electrochemical polymerization of poly(aniline-o-anisidine) and its anticorrosion properties","authors":"Aidana B. Turlygaziyeva, G. Rakhymbay, Y. Bakhytzhan, A. Argimbayeva, B. Burkitbayeva","doi":"10.15328/cb1110","DOIUrl":"https://doi.org/10.15328/cb1110","url":null,"abstract":"A synthesis of bismuth selenide with a thickness of 3-4 nm on the surface of mica taken as a matrix was investigated using the gas-solid mechanism. Since discovery of two-dimensional atomic crystals of graphene in 2004, scientists have grown interested in exploring methods for synthesis of two-dimensional atomic crystal nanofilms. Among them, of particular interest are sulfides and transition metal selenides, such as molybdenum sulfide, tungsten selenide, bismuth selenide. Bismuth selenide possesses special thermoelectric, photoelectric properties, therefore there are wide possibilities for its use in such areas as thermoelectric devices, photosensitive elements, optical information keepers, etc. In this connection, there are many studies on the search for optimal methods for the synthesis of bismuth selenide. Each of the proposed methods has its own advantages and disadvantages. In the article, a variety of the recently used gas-liquid-solid mechanism (V-L-S) is used as a method for the synthesis of bismuth selenide. When using amorphous silicon dioxide as a matrix, the synthesized bismuth selenide is not uniform, and the synthesis process is uncontrollable. Therefore, in the work fluorinated gold mica was used as a matrix. The effect of temperature, gas feed rate on the size, shape and thickness of the film was investigated.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2020-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45504185","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}
1Department of Chemistry, Gayatri Vidya Parishad College of Engineering, Vishakapatnam, India 2Department of Chemistry, Dr. APJ Abdulkalam IIIT-Ongole, Rajiv Gandhi University of Knowledge Technologies-AP, Ongole, India 3Department of Chemistry, Sri Krishnadevaraya University, Anantapur, India *E-mail: besantosh1985@gmail.com 3,4-Disubstituted pyrrolidinesulfonamides were synthesized and screened for their antimicrobial activity. Title compounds were established as potent antibacterial and antifungal agents. Noteworthy antimicrobial activity was found for the title compounds against the tested microorganisms. They exhibit comparable results with standard drugs. Besides the in vitro antimicrobial activity, the synthesized compounds were evaluated for their in silico inhibitory activity on active site of β-glucosidase enzyme. In silico studies were done by GOLD docking method against β-glucosidase 3VKK (PDB Id). In silico studies were conducted to evaluate the ability of synthesized compounds to inhibit the β-glucosidase enzyme. The results revealed that 3,4-disubstitutedpyrrolidinesulfonamides are the potent β-glucosidase inhibitors by binding at the active site. A sensible inhibition against β-glucosidases was observed for the compound with 13,4-oxadizole ring has higher β-glucosidase inhibition activity than the other compounds. The free energy of binding and inhibition constant (Ki) of the docked compounds were evaluated and presented.
{"title":"Synthesis, antimicrobial evaluation and in silico studies of novel 3,4-disubstituted pyrrolidinesulfonamides","authors":"B. Santosh Kumar, G. Madhu, L. Ravindranath","doi":"10.15328/cb1044","DOIUrl":"https://doi.org/10.15328/cb1044","url":null,"abstract":"1Department of Chemistry, Gayatri Vidya Parishad College of Engineering, Vishakapatnam, India 2Department of Chemistry, Dr. APJ Abdulkalam IIIT-Ongole, Rajiv Gandhi University of Knowledge Technologies-AP, Ongole, India 3Department of Chemistry, Sri Krishnadevaraya University, Anantapur, India *E-mail: besantosh1985@gmail.com 3,4-Disubstituted pyrrolidinesulfonamides were synthesized and screened for their antimicrobial activity. Title compounds were established as potent antibacterial and antifungal agents. Noteworthy antimicrobial activity was found for the title compounds against the tested microorganisms. They exhibit comparable results with standard drugs. Besides the in vitro antimicrobial activity, the synthesized compounds were evaluated for their in silico inhibitory activity on active site of β-glucosidase enzyme. In silico studies were done by GOLD docking method against β-glucosidase 3VKK (PDB Id). In silico studies were conducted to evaluate the ability of synthesized compounds to inhibit the β-glucosidase enzyme. The results revealed that 3,4-disubstitutedpyrrolidinesulfonamides are the potent β-glucosidase inhibitors by binding at the active site. A sensible inhibition against β-glucosidases was observed for the compound with 13,4-oxadizole ring has higher β-glucosidase inhibition activity than the other compounds. The free energy of binding and inhibition constant (Ki) of the docked compounds were evaluated and presented.","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2019-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45155917","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}
Ligularia is a medicinally important herb of the family Compositae. Ligularia narynensis is a perennial herb growing in the mountains, rich in sesquiterpenes, triterpenes, lignans, alkaloids, and steroids. In this work chemical constituents of the root part of medicinal plant L. narynensis from Kazakhstan have been determined for the first time. The constituents of the root part of L. narynensis were extracted with hexane and analyzed by gas chromatography – mass spectrometry (GC-MS). Thirty compounds were detected, and their concentrations were determined by the method of normalization of peak areas. Among them, the major components are (9Z,12E)-octadeca-9,12-dienoic acid (16.7%), ethyl (9Z,12Z)-octadeca-9,12-dienoate (11.1%), n-hexadecanoic acid (11.0%), (3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) acetate (9.1%), [(3R)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate (5.1%). Presence of these bioactive constituents may indicate that the plant extract possesses anti-inflammatory, antimicrobial and anticancer activities, which can serve as a basis for the development of new phytopreparations.
{"title":"Determination of chemical composition of the Ligularia narynensis root by gas chromatography-mass spectrometry","authors":"A. Nurlybekova, Y. Ye, Z. Abilov, J. Jenis","doi":"10.15328/cb1096","DOIUrl":"https://doi.org/10.15328/cb1096","url":null,"abstract":"Ligularia is a medicinally important herb of the family Compositae. Ligularia narynensis is a perennial herb growing in the mountains, rich in sesquiterpenes, triterpenes, lignans, alkaloids, and steroids. In this work chemical constituents of the root part of medicinal plant L. narynensis from Kazakhstan have been determined for the first time. The constituents of the root part of L. narynensis were extracted with hexane and analyzed by gas chromatography – mass spectrometry (GC-MS). Thirty compounds were detected, and their concentrations were determined by the method of normalization of peak areas. Among them, the major components are (9Z,12E)-octadeca-9,12-dienoic acid (16.7%), ethyl (9Z,12Z)-octadeca-9,12-dienoate (11.1%), n-hexadecanoic acid (11.0%), (3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) acetate (9.1%), [(3R)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate (5.1%). Presence of these bioactive constituents may indicate that the plant extract possesses anti-inflammatory, antimicrobial and anticancer activities, which can serve as a basis for the development of new phytopreparations. \u0000","PeriodicalId":9860,"journal":{"name":"Chemical Bulletin of Kazakh National University","volume":null,"pages":null},"PeriodicalIF":0.3,"publicationDate":"2019-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44321468","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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：