Pub Date : 2020-12-31DOI: 10.29235/1561-8323-2020-64-6-694-701
I. Ilyuchyk, V. N. Nikandrov
Subcellular particles of Chlorella vulgaris C 111 IBCE C-19 were isolated by differential centrifugation in sucrose density gradient. It was stated for the first time, that these particles can cleave casein, gelatin, fibrinogen and hemoglobin at pH 7.4 and 9.0. Using group-specific proteinase inhibitors, a set of serine-, cysteine- and metalloproteinases was identified in this material. However, the detection of this set of proteolytic enzymes is only possible when several different proteins are used as substrates. In some cases, virtually all of the used arsenal of group-specific proteinase inhibitors proved to be little effective. This suggests that these are proteinases of a different nature than those listed above, which requires further perspective research.
{"title":"On proteolytic activity of subcellular fractions of Chlorella vulgaris strain C 111 IBCE C-19 cell","authors":"I. Ilyuchyk, V. N. Nikandrov","doi":"10.29235/1561-8323-2020-64-6-694-701","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-6-694-701","url":null,"abstract":"Subcellular particles of Chlorella vulgaris C 111 IBCE C-19 were isolated by differential centrifugation in sucrose density gradient. It was stated for the first time, that these particles can cleave casein, gelatin, fibrinogen and hemoglobin at pH 7.4 and 9.0. Using group-specific proteinase inhibitors, a set of serine-, cysteine- and metalloproteinases was identified in this material. However, the detection of this set of proteolytic enzymes is only possible when several different proteins are used as substrates. In some cases, virtually all of the used arsenal of group-specific proteinase inhibitors proved to be little effective. This suggests that these are proteinases of a different nature than those listed above, which requires further perspective research.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"16 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72648860","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 : 2020-11-05DOI: 10.29235/1561-8323-2020-64-5-526-533
P. Matus, H. Anh
In this paper, we consider compact difference approximation of the fourth-order schemes for linear, semi-linear, and quasilinear Klein-Gordon equations. with respect to a small perturbation of initial conditions, right-hand side, and coefficients of the linear equations the strong stability of difference schemes is proved. The conducted numerical experiment shows how Runge rule is used to determine the orders of convergence of the difference scheme in the case of two independent variables.
{"title":"Compact difference schemes for Klein-Gordon equation","authors":"P. Matus, H. Anh","doi":"10.29235/1561-8323-2020-64-5-526-533","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-5-526-533","url":null,"abstract":"In this paper, we consider compact difference approximation of the fourth-order schemes for linear, semi-linear, and quasilinear Klein-Gordon equations. with respect to a small perturbation of initial conditions, right-hand side, and coefficients of the linear equations the strong stability of difference schemes is proved. The conducted numerical experiment shows how Runge rule is used to determine the orders of convergence of the difference scheme in the case of two independent variables.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76230989","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 : 2020-11-05DOI: 10.29235/1561-8323-2020-64-5-534-543
F. Komarov, S. Konstantinov, V. A. Zaikov, V. Pilko
Nanostructured TiZrSiN coatings were formed on various types of substrates in regimes with a lack and stoichiometric nitrogen concentration using reactive magnetron sputtering. Using the methods of scanning electron microscopy and X-ray diffraction, the structural-phase state of the initial coatings, their thickness, and morphology were investigated. Nanoindentation tests according to the methods of Oliver and Farr, as well as tribomechanical tests were performed to determine hardness, Young's modulus and friction coefficient of the TiZrSiN coatings. The TiZrSiN coatings were irradiated with hydrogen ions H + with an energy of 500 keV in the fluence range from 1 • 10 16 to 1 • 10 17 ions/cm 2 on the AN 2500 accelerator complex. It was found that TiZrSiN nanostructured coatings deposited in nitrogen deficiency and stoichiometry regimes are radiation-resistant and potentially promising for use as protective on the bodies of small aircraft in orbit of the Earth and in open space.
{"title":"Radiation tolerance of nanostructured TiZrSiN coatings","authors":"F. Komarov, S. Konstantinov, V. A. Zaikov, V. Pilko","doi":"10.29235/1561-8323-2020-64-5-534-543","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-5-534-543","url":null,"abstract":"Nanostructured TiZrSiN coatings were formed on various types of substrates in regimes with a lack and stoichiometric nitrogen concentration using reactive magnetron sputtering. Using the methods of scanning electron microscopy and X-ray diffraction, the structural-phase state of the initial coatings, their thickness, and morphology were investigated. Nanoindentation tests according to the methods of Oliver and Farr, as well as tribomechanical tests were performed to determine hardness, Young's modulus and friction coefficient of the TiZrSiN coatings. The TiZrSiN coatings were irradiated with hydrogen ions H + with an energy of 500 keV in the fluence range from 1 • 10 16 to 1 • 10 17 ions/cm 2 on the AN 2500 accelerator complex. It was found that TiZrSiN nanostructured coatings deposited in nitrogen deficiency and stoichiometry regimes are radiation-resistant and potentially promising for use as protective on the bodies of small aircraft in orbit of the Earth and in open space.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80604490","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 : 2020-11-05DOI: 10.29235/1561-8323-2020-64-5-583-589
I. Semenenya, A. Astroŭskī, A. Shuriberko, Y. Razvodovsky
The article substantiates the mechanisms and significance of the increased contents of blood plasma cholesterol and high density lipoproteins (HDLP) under acute exposure to stress factors leading to activation of metabolism. To a great extent, these changes reflect the adaptation rearrangements in cell membranes that are predominantly haracterized by a decreased content of free cholesterol in their composition due to its efflux to HDLP particles . The changes in HDLP fatty acid composition also contribute to this process resulting in a reduction of membrane microviscosity so that to intensify the intracellular metabolism and to enhance cellular functional activity.
{"title":"lipid composition of blood plasma high density lipoproteins as marker of metabolic reactions of urgent adaptations under acute stress","authors":"I. Semenenya, A. Astroŭskī, A. Shuriberko, Y. Razvodovsky","doi":"10.29235/1561-8323-2020-64-5-583-589","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-5-583-589","url":null,"abstract":"The article substantiates the mechanisms and significance of the increased contents of blood plasma cholesterol and high density lipoproteins (HDLP) under acute exposure to stress factors leading to activation of metabolism. To a great extent, these changes reflect the adaptation rearrangements in cell membranes that are predominantly haracterized by a decreased content of free cholesterol in their composition due to its efflux to HDLP particles . The changes in HDLP fatty acid composition also contribute to this process resulting in a reduction of membrane microviscosity so that to intensify the intracellular metabolism and to enhance cellular functional activity.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78005622","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 : 2020-08-30DOI: 10.29235/1561-8323-2020-64-4-441-447
T. Lipinskaya, A. I. Makarenko
Alien amphipods were found in Belarus in the early 2000s. During long-term observations of the macrozoobenthic community in the rivers, a decrease of native amphipods was revealed in the southern part of Belarus. Several laboratory experiments were conducted to reveal the predatory effects of four alien species ( Dikerogammarus haemobaphes (Eichwald, 1841), Echinogammarus ischnus (Stebbing, 1898), Obesogammarus crassus (Sars, 1894), Obesogammarus obesus (Sars, 1896) on some macrozoobenthic groups. D. haemobaphes has a maximum predation rate and a broad food spectrum in comparison with other studied species. The above-mentioned data can be one of the reasons of wide spreading and very abandoned populations of D. haemobaphes in various rivers in Belarus.
{"title":"Experimental assessment of the predatory pressure effect of gammarids on the structure of the macrozoobenthic community (Communicated by Academician Mikhail E. Nikiforov)","authors":"T. Lipinskaya, A. I. Makarenko","doi":"10.29235/1561-8323-2020-64-4-441-447","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-4-441-447","url":null,"abstract":"Alien amphipods were found in Belarus in the early 2000s. During long-term observations of the macrozoobenthic community in the rivers, a decrease of native amphipods was revealed in the southern part of Belarus. Several laboratory experiments were conducted to reveal the predatory effects of four alien species ( Dikerogammarus haemobaphes (Eichwald, 1841), Echinogammarus ischnus (Stebbing, 1898), Obesogammarus crassus (Sars, 1894), Obesogammarus obesus (Sars, 1896) on some macrozoobenthic groups. D. haemobaphes has a maximum predation rate and a broad food spectrum in comparison with other studied species. The above-mentioned data can be one of the reasons of wide spreading and very abandoned populations of D. haemobaphes in various rivers in Belarus.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"21 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75085977","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 : 2020-08-30DOI: 10.29235/1561-8323-2020-64-4-426-430
Юрий Александрович Сидоренко, Е. Агабеков, Константин Петрович Волчо, Ф. Салахутдинов, Д. Ю. Мурзин, A. Sidorenko, A. V. Agabekov, K. Volcho, N. Salakhutdinov, D. Murzin
The reaction of a 2-carene containing mixture, obtained by 3-carene isomerization, with 4-methoxybenzaldehyde in the presence of halloysite nanotubes treated with 5.0 % HCl was studied. The main reaction products are the chiral derivatives of isobenzofuran. Selectivity to these compounds (71.4 %) is comparable to that when only 2-carene is used as a reactant. Thus, the possibility is shown how to use halloysite nanocatalysts for selective production of isobenzofuran compounds based on 3-сarene isomerization products (major component of turpentine) without preliminary mixture separation.
{"title":"Preparation of chiral izobenzofuranes based on 3-carene in the presence of halloysite nanocatalysts","authors":"Юрий Александрович Сидоренко, Е. Агабеков, Константин Петрович Волчо, Ф. Салахутдинов, Д. Ю. Мурзин, A. Sidorenko, A. V. Agabekov, K. Volcho, N. Salakhutdinov, D. Murzin","doi":"10.29235/1561-8323-2020-64-4-426-430","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-4-426-430","url":null,"abstract":"The reaction of a 2-carene containing mixture, obtained by 3-carene isomerization, with 4-methoxybenzaldehyde in the presence of halloysite nanotubes treated with 5.0 % HCl was studied. The main reaction products are the chiral derivatives of isobenzofuran. Selectivity to these compounds (71.4 %) is comparable to that when only 2-carene is used as a reactant. Thus, the possibility is shown how to use halloysite nanocatalysts for selective production of isobenzofuran compounds based on 3-сarene isomerization products (major component of turpentine) without preliminary mixture separation.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77021658","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 : 2020-08-30DOI: 10.29235/1561-8323-2020-64-4-431-440
Yaraslau U Dzichenka, M. Trawkina, A. Yantsevich, S. Usanov
The trajectories of molecular dynamics simulation of phosphorylated S258 (CYP17A1), T162 and Y361 (CYP19A1) were analyzed to understand a possible mechanism of influence of post-translational modification (PTM) on the structure and functions of human sterol-hydroxylases CYP17A1 and CYP19A1. It was found that PTM has no dramatic influence on the structures of the enzymes but stabilizes them. According to our data, the phosphorylation of S258, T162 and Y361 influences the interface of interaction between human sterol-hydroxylases and the corresponding electron donors by decreasing the mobility of amino acids that take part in forming molecular complexes of the enzymes and the corresponding redox-partners. The phosphorylation of T162 (CYP19A1) decreases the mobility of amino acids forming access channel. The obtained results can shed light on the mechanism of fast regulation of human CYP17A1 and CYP19A1 activity by PTM.
{"title":"In silico analysis of the phosphorylation effect on the structure of the human sterol-hydroxylases CYP17A1 AND CYP19A1","authors":"Yaraslau U Dzichenka, M. Trawkina, A. Yantsevich, S. Usanov","doi":"10.29235/1561-8323-2020-64-4-431-440","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-4-431-440","url":null,"abstract":"The trajectories of molecular dynamics simulation of phosphorylated S258 (CYP17A1), T162 and Y361 (CYP19A1) were analyzed to understand a possible mechanism of influence of post-translational modification (PTM) on the structure and functions of human sterol-hydroxylases CYP17A1 and CYP19A1. It was found that PTM has no dramatic influence on the structures of the enzymes but stabilizes them. According to our data, the phosphorylation of S258, T162 and Y361 influences the interface of interaction between human sterol-hydroxylases and the corresponding electron donors by decreasing the mobility of amino acids that take part in forming molecular complexes of the enzymes and the corresponding redox-partners. The phosphorylation of T162 (CYP19A1) decreases the mobility of amino acids forming access channel. The obtained results can shed light on the mechanism of fast regulation of human CYP17A1 and CYP19A1 activity by PTM.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"16 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73612224","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 : 2020-08-30DOI: 10.29235/1561-8323-2020-64-4-391-398
P. Matus, B. Utebaev
In this article, monotone difference schemes for linear inhomogeneous parabolic equations, the Fisher or Kolmogorov-Petrovsky-Piskunov equations are constructed and investigated. The stability and convergence of the proposed methods in the uniform norm L ∞ or С is proved. The results obtained are generalized to arbitrary semi-linear parabolic equations with an arbitrary nonlinear sink, as well as to quasi-linear equations.
{"title":"Monotone difference schemes of higher accuracy for parabolic equations","authors":"P. Matus, B. Utebaev","doi":"10.29235/1561-8323-2020-64-4-391-398","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-4-391-398","url":null,"abstract":"In this article, monotone difference schemes for linear inhomogeneous parabolic equations, the Fisher or Kolmogorov-Petrovsky-Piskunov equations are constructed and investigated. The stability and convergence of the proposed methods in the uniform norm L ∞ or С is proved. The results obtained are generalized to arbitrary semi-linear parabolic equations with an arbitrary nonlinear sink, as well as to quasi-linear equations.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"9 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91509276","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 : 2020-08-30DOI: 10.29235/1561-8323-2020-64-4-411-420
K. Burts, T. Plisko, S. Pratsenko, A. Bildyukevich
The phase state, viscosity and optical properties of polysulfone (PSF) solutions in N,N-dimethylacetamide (DMAc) with the addition of block copolymer Pluronic F127 and polyethylene glycol (PEG-4000, Mn = 4000 g⋅mol –1) were studied. Additives are both pore-forming and hydrophilizing agents. It was found that 18–22 % PSF solutions in DMAc with the Pluronic F127 content ≥5 wt. % feature a lower critical solution temperature (LCST). Mixed matrix PSF/Pluronic F127 and PSF/PEG membranes were obtained by the phase inversion technique and the comparative studies of their structure and performance were carried out. It was found that the average surface roughness parameters of PSF/Pluronic F127 membranes significantly exceed those of PSF/PEG membranes. The presence of the both additives in the casting solution leads to the effective hydrophilization of the membrane selective layer. It was shown that the increase in the membrane flux and the decrease in the polyvinylpyrrolidone (K-30, Mn = 40000 g⋅mol –1) rejection coefficient are a result of adding both Pluronic F127 and PEG-4000 to the casting solution. It was shown that PSF/Pluronic F127 membranes are characterized by higher shrinkage resistance and a lower total flux decrease during ultrafiltration of bovine serum albumin solutions. It was found that the antifouling performance of PSF/Pluronic F127 membranes significantly exceeds that of PSF/PEG membranes. 412 Doklady of the National Academy of Sciences of Belarus, 2020, vol. 64, no. 4, рр. 411–420
{"title":"Modification of polysulfone membranes using triblock copolymer of polyethylene glycol and polypropylene glycol","authors":"K. Burts, T. Plisko, S. Pratsenko, A. Bildyukevich","doi":"10.29235/1561-8323-2020-64-4-411-420","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-4-411-420","url":null,"abstract":"The phase state, viscosity and optical properties of polysulfone (PSF) solutions in N,N-dimethylacetamide (DMAc) with the addition of block copolymer Pluronic F127 and polyethylene glycol (PEG-4000, Mn = 4000 g⋅mol –1) were studied. Additives are both pore-forming and hydrophilizing agents. It was found that 18–22 % PSF solutions in DMAc with the Pluronic F127 content ≥5 wt. % feature a lower critical solution temperature (LCST). Mixed matrix PSF/Pluronic F127 and PSF/PEG membranes were obtained by the phase inversion technique and the comparative studies of their structure and performance were carried out. It was found that the average surface roughness parameters of PSF/Pluronic F127 membranes significantly exceed those of PSF/PEG membranes. The presence of the both additives in the casting solution leads to the effective hydrophilization of the membrane selective layer. It was shown that the increase in the membrane flux and the decrease in the polyvinylpyrrolidone (K-30, Mn = 40000 g⋅mol –1) rejection coefficient are a result of adding both Pluronic F127 and PEG-4000 to the casting solution. It was shown that PSF/Pluronic F127 membranes are characterized by higher shrinkage resistance and a lower total flux decrease during ultrafiltration of bovine serum albumin solutions. It was found that the antifouling performance of PSF/Pluronic F127 membranes significantly exceeds that of PSF/PEG membranes. 412 Doklady of the National Academy of Sciences of Belarus, 2020, vol. 64, no. 4, рр. 411–420","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"43 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74203138","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 : 2020-08-30DOI: 10.29235/1561-8323-2020-64-4-421-425
V. Soldatov, E. Kasandrovich, T. V. Bezyazychnaya
The structural parameters of the molecular model of a swollen sulfostyrene ion exchanger in lithium form were calculated. The calculations were performed using the non-empirical method (HF/basis using the Mini Huzinaga basis) and the Firefly software for the (RSO 3 Li) 2 - (H 2 O) 20 cluster. The distances between the Li + ions and the oxygen atoms in the cluster, which belong to the water molecules and sulfonic groups, were found and sorted in ascending order. The obtained data allowed one to establish that in the first molecular layer, strictly four oxygen atoms of water molecules are present around the Li + ion, and the ion itself does not form a direct bond with the sulfonic group. A sharp jump in the Li + -O distances takes place between the first and second molecular layers around the cation.
{"title":"State of the lithium ions in the sulfostyrene cation exchanger according to ab initio quantum chemical calculations","authors":"V. Soldatov, E. Kasandrovich, T. V. Bezyazychnaya","doi":"10.29235/1561-8323-2020-64-4-421-425","DOIUrl":"https://doi.org/10.29235/1561-8323-2020-64-4-421-425","url":null,"abstract":"The structural parameters of the molecular model of a swollen sulfostyrene ion exchanger in lithium form were calculated. The calculations were performed using the non-empirical method (HF/basis using the Mini Huzinaga basis) and the Firefly software for the (RSO 3 Li) 2 - (H 2 O) 20 cluster. The distances between the Li + ions and the oxygen atoms in the cluster, which belong to the water molecules and sulfonic groups, were found and sorted in ascending order. The obtained data allowed one to establish that in the first molecular layer, strictly four oxygen atoms of water molecules are present around the Li + ion, and the ion itself does not form a direct bond with the sulfonic group. A sharp jump in the Li + -O distances takes place between the first and second molecular layers around the cation.","PeriodicalId":11283,"journal":{"name":"Doklady of the National Academy of Sciences of Belarus","volume":"2 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91427008","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：