Pub Date : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-11
A. S. Russkih, S. Agafonov, A. Ponomarenko
Alloys based on the Al-Zr system with insignificant Ta and Nb additives are in demand in the synthesis of complex alloys used to produce titanium alloys for aircraft and rocket technology. A common method for producing aluminum-zirconium alloys and ligatures is the out-of-furnace metallothermal reduction of zirconium from oxides and direct fusion of components. The practice of such methods has a number of significant disadvantages: poor separation of the metal and oxide phases, a low degree of extraction of the target component, the use of thermal additives, and the high cost of the resulting product. The solution to the problem may be a technology option where the temperature regime of the metallothermal reduction process is ensured both due to the heat of exothermic reactions and due to the additional supply of relatively inexpensive electrical energy. In this work, we investigated the possibility of obtaining alloys using metallothermal reduction from oxides based on ZrAl with Ta and Nb additives. An experimental technique for producing an alloy is presented. The data of X-ray phase analysis (XRD) and chemical analysis of the alloy. as well as an analysis of the content of oxygen and nitrogen in the alloy. X-ray phase analysis showed the formation of the ZrAl2 compound in all the studied alloys, as well as solid solutions (Zr4Nb)Al3, (Zr0.8Ta0.2)Al3, (Zr4Nb0.5Ta0.5)Al3 corresponding to the added element, ZrO2 is present in the 3 alloys, which tells us about not up to the reduced oxide Zr. These data are confirmed by analysis of the gas content in the alloy, where there is an increased oxygen content. The performed study can serve as a scientific basis for the development of promising metallothermal technologies for the production of rare metal alloys.
{"title":"Joint aluminothermic reduction of oxides Zr, Ta and Nb","authors":"A. S. Russkih, S. Agafonov, A. Ponomarenko","doi":"10.37952/roi-jbc-01/19-60-11-11","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-11","url":null,"abstract":"Alloys based on the Al-Zr system with insignificant Ta and Nb additives are in demand in the synthesis of complex alloys used to produce titanium alloys for aircraft and rocket technology. A common method for producing aluminum-zirconium alloys and ligatures is the out-of-furnace metallothermal reduction of zirconium from oxides and direct fusion of components. The practice of such methods has a number of significant disadvantages: poor separation of the metal and oxide phases, a low degree of extraction of the target component, the use of thermal additives, and the high cost of the resulting product. The solution to the problem may be a technology option where the temperature regime of the metallothermal reduction process is ensured both due to the heat of exothermic reactions and due to the additional supply of relatively inexpensive electrical energy. In this work, we investigated the possibility of obtaining alloys using metallothermal reduction from oxides based on ZrAl with Ta and Nb additives. An experimental technique for producing an alloy is presented. The data of X-ray phase analysis (XRD) and chemical analysis of the alloy. as well as an analysis of the content of oxygen and nitrogen in the alloy. X-ray phase analysis showed the formation of the ZrAl2 compound in all the studied alloys, as well as solid solutions (Zr4Nb)Al3, (Zr0.8Ta0.2)Al3, (Zr4Nb0.5Ta0.5)Al3 corresponding to the added element, ZrO2 is present in the 3 alloys, which tells us about not up to the reduced oxide Zr. These data are confirmed by analysis of the gas content in the alloy, where there is an increased oxygen content. The performed study can serve as a scientific basis for the development of promising metallothermal technologies for the production of rare metal alloys.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"40 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81374718","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-48
Mikhail Vlasov, E. Pisareva, Y. V. Golub, P. P. Purygin, E. Stadler
Collagen is an intercellular substance of connective tissue, it plays an important role in the physiological processes of the body. Collagen consists of three polypeptide chains twisted in a spiral and in order to stabilize this structure, hydroxyproline is needed, its hydroxyl groups are involved in the formation of hydrogen bonds between the chains of polypeptides. The peculiarity of collagen is that 14% of the amino acids it contains are hydroxyproline, an amino acid that is not contained in other proteins. In this regard, the content of hydroxyproline in blood serum was used to assess the metabolism of collagen in the body. We determined the content of hydroxyproline fractions in blood serum. Calcium, fibrinogen, erythrocyte settling rate and alkaline phosphatase level in children and adults with joint disease were also determined. The control group included healthy children and adults. The total hydroxyproline content in children with the disease was 9-11% lower than in healthy children. In adults with joint diseases, the total hydroxyproline content was 11% higher than in healthy patients. In children and adults with rheumatic diseases, the peptide-bound hydroxyproline content increased, while the protein-bound hydroxyproline content decreased in comparison with the control group control parameters. No significant changes in the content of calcium and fibrinogen were noted, but the level of alkaline phosphatase and the rate of erythrocyte sedimentation was increased, which is typical for people with inflammatory diseases.
{"title":"Comparative analysis of biochemical markers for rheumatic diseases of adults and children in normality and pathology","authors":"Mikhail Vlasov, E. Pisareva, Y. V. Golub, P. P. Purygin, E. Stadler","doi":"10.37952/roi-jbc-01/19-60-11-48","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-48","url":null,"abstract":"Collagen is an intercellular substance of connective tissue, it plays an important role in the physiological processes of the body. Collagen consists of three polypeptide chains twisted in a spiral and in order to stabilize this structure, hydroxyproline is needed, its hydroxyl groups are involved in the formation of hydrogen bonds between the chains of polypeptides. The peculiarity of collagen is that 14% of the amino acids it contains are hydroxyproline, an amino acid that is not contained in other proteins. In this regard, the content of hydroxyproline in blood serum was used to assess the metabolism of collagen in the body. We determined the content of hydroxyproline fractions in blood serum. Calcium, fibrinogen, erythrocyte settling rate and alkaline phosphatase level in children and adults with joint disease were also determined. The control group included healthy children and adults. The total hydroxyproline content in children with the disease was 9-11% lower than in healthy children. In adults with joint diseases, the total hydroxyproline content was 11% higher than in healthy patients. In children and adults with rheumatic diseases, the peptide-bound hydroxyproline content increased, while the protein-bound hydroxyproline content decreased in comparison with the control group control parameters. No significant changes in the content of calcium and fibrinogen were noted, but the level of alkaline phosphatase and the rate of erythrocyte sedimentation was increased, which is typical for people with inflammatory diseases.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73915483","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-16
A. Belyaev, Vladimir P. Rubetz, V. V. Antipov, D. Mokhorov
The results of electrical studies of CdSeхTe1-х solid solutions synthesized using the zone of additional heating of the vapor phase are presented. It is established that solid solutions are dishonorable systems. It was found that CdSeхTe1-х solid solutions are characterized by: high resistivity (at T = 298 K up to 109 Ohm∙cm), which increases with tellurium content. It was found that a high value of activation energy (up to 0.64 eV), monotonously decreasing with temperature; an abnormally long time to establish equilibrium after a sharp change in temperature; low Hall mobility (at T = 413 K no more than 100 cm2V-1s-1). It is established that the solid solutions are systems with a high degree of compensation and an inhomogeneous potential relief of the bands due to disordering of the structure. The disordering of the structure in CdSeхTe1-х solid solutions is due to the difference in ionic radii. The ionic radius of cadmium is small (1.03Å), and the ionic radius of tellurium is large (2.21Å). Such systems are characterized by the Frenkel type of natural disorder. An increase in the tellurium content in them promotes the formation of cadmium VCd vacancies with acceptor properties, which at high concentrations lead to an inversion of the type of conductivity from electron to hole. Temperature and concentration dependences of conductivity and Hall mobility are given.
本文介绍了利用气相附加加热区合成CdSeхTe1- _ - _固溶体的电学研究结果。大家都知道，固溶体是不光彩的体系。研究发现CdSeхTe1- m - m固溶体具有高电阻率(T = 298 K ~ 109欧姆∙cm)的特点，且随碲含量的增加而增大。结果表明，该材料的活化能随温度的升高而单调降低，最高可达0.64 eV;在温度急剧变化后建立平衡的异常长的时间;低霍尔迁移率(T = 413 K时不大于100 cm2V-1s-1)。确定了固溶体是具有高度补偿的体系，由于结构的无序性，能带的电位起伏是不均匀的。CdSeхTe1- x固溶体结构的无序性是由于离子半径的不同造成的。镉离子半径小(1.03Å)，而碲离子半径大(2.21Å)。这种系统的特征是弗伦克尔型的自然失序。其中碲含量的增加促进了具有受体性质的镉VCd空位的形成，在高浓度下导致电导率类型从电子到空穴的反转。给出了电导率和霍尔迁移率的温度和浓度依赖性。
{"title":"Conductivity inversion in CdSeхTe1-х solid solutions","authors":"A. Belyaev, Vladimir P. Rubetz, V. V. Antipov, D. Mokhorov","doi":"10.37952/roi-jbc-01/19-60-11-16","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-16","url":null,"abstract":"The results of electrical studies of CdSeхTe1-х solid solutions synthesized using the zone of additional heating of the vapor phase are presented. It is established that solid solutions are dishonorable systems. It was found that CdSeхTe1-х solid solutions are characterized by: high resistivity (at T = 298 K up to 109 Ohm∙cm), which increases with tellurium content. It was found that a high value of activation energy (up to 0.64 eV), monotonously decreasing with temperature; an abnormally long time to establish equilibrium after a sharp change in temperature; low Hall mobility (at T = 413 K no more than 100 cm2V-1s-1). It is established that the solid solutions are systems with a high degree of compensation and an inhomogeneous potential relief of the bands due to disordering of the structure. The disordering of the structure in CdSeхTe1-х solid solutions is due to the difference in ionic radii. The ionic radius of cadmium is small (1.03Å), and the ionic radius of tellurium is large (2.21Å). Such systems are characterized by the Frenkel type of natural disorder. An increase in the tellurium content in them promotes the formation of cadmium VCd vacancies with acceptor properties, which at high concentrations lead to an inversion of the type of conductivity from electron to hole. Temperature and concentration dependences of conductivity and Hall mobility are given.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75782162","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-143
V. Zhuchkov, O. Zayakin, L. Mikhailova
The Russian Federation has a sufficient number of promising deposits of niobium raw materials which can satisfy the niobium and tantalum demands of Russian metallurgical enterprises for many decades. Ferroalloy technologists are faced with the difficult tasks of developing from various types of ore raw materials not only effective processes for its processing but also new acceptable rational compositions of niobium-containing ferroalloys. The chemical composition of niobium ferroalloy should, on the one hand, correspond to the product obtained by benefication (concentrate) and, on the other hand, satisfy the requirements of steelmakers for ferroalloys intended for microalloying niobium steel. To develop rational compositions of new niobium-containing ferroalloys in this work the physicochemical characteristics (which include crystallization temperature and density) of alloys containing 10-50% Nb, 10-40% Si, and 5-30% Al were studied. Two-component Fe-Nb metal alloys have a rational crystallization onset temperature (<1400 °С) only when the niobium content is not more than 10%. To achieve rational crystallization onset temperatures it is necessary to use complex alloys with silicon and aluminum. Studies have shown that a decrease in the crystallization onset temperature of complex niobium alloys occurs when the niobium content decreases with an increase in the concentration of silicon or aluminum. Three-component alloys Fe-Si-Nb and Fe-Al-Nb with a content of 15-20% Nb, 32-40 Si% or 12-30% Al belong to the category of low-melting ferroalloys. To achieve rational density values light metals such as silicon or aluminum must be introduced into a two-component system. The studied three-component alloys with a content of 25-40% Si or 15-30% Al have rational density values both from the point of view of their production and application to the processing of steel melt. The best physicochemical characteristics providing high service properties are possessed by complex niobium (15-20% Nb) FeNbSi alloys with 32-40% Si and FeNbAl with 15-30% Al which are recommended for widespread use in ladle microalloying of steels.
{"title":"Physicochemical properties of ternary Fe-Si-Nb and Fe-Al-Nb metallic systems","authors":"V. Zhuchkov, O. Zayakin, L. Mikhailova","doi":"10.37952/roi-jbc-01/19-60-11-143","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-143","url":null,"abstract":"The Russian Federation has a sufficient number of promising deposits of niobium raw materials which can satisfy the niobium and tantalum demands of Russian metallurgical enterprises for many decades. Ferroalloy technologists are faced with the difficult tasks of developing from various types of ore raw materials not only effective processes for its processing but also new acceptable rational compositions of niobium-containing ferroalloys. The chemical composition of niobium ferroalloy should, on the one hand, correspond to the product obtained by benefication (concentrate) and, on the other hand, satisfy the requirements of steelmakers for ferroalloys intended for microalloying niobium steel. To develop rational compositions of new niobium-containing ferroalloys in this work the physicochemical characteristics (which include crystallization temperature and density) of alloys containing 10-50% Nb, 10-40% Si, and 5-30% Al were studied. Two-component Fe-Nb metal alloys have a rational crystallization onset temperature (<1400 °С) only when the niobium content is not more than 10%. To achieve rational crystallization onset temperatures it is necessary to use complex alloys with silicon and aluminum. Studies have shown that a decrease in the crystallization onset temperature of complex niobium alloys occurs when the niobium content decreases with an increase in the concentration of silicon or aluminum. Three-component alloys Fe-Si-Nb and Fe-Al-Nb with a content of 15-20% Nb, 32-40 Si% or 12-30% Al belong to the category of low-melting ferroalloys. To achieve rational density values light metals such as silicon or aluminum must be introduced into a two-component system. The studied three-component alloys with a content of 25-40% Si or 15-30% Al have rational density values both from the point of view of their production and application to the processing of steel melt. The best physicochemical characteristics providing high service properties are possessed by complex niobium (15-20% Nb) FeNbSi alloys with 32-40% Si and FeNbAl with 15-30% Al which are recommended for widespread use in ladle microalloying of steels.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80422526","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-75
Darya V. Sergeeva, P. P. Purygin
Oil is an environmentally hazardous substance of class 3 (moderately hazardous substances). However, during transportation, oil is classified as hazard class 1 and 2 (extremely hazardous and highly hazardous substances), since during transportation of oil and oil products there is a likelihood of spills of hazardous substances as a result of an oil pipeline breakdown, emergency wagon-tank wagon derailment during transportation by rail, oil tanker wrecks and accidents. Getting into the soil, soil microflora degradation occurs, respiratory processes are disrupted and the composition of humus and soil microorganisms changes. Hydrophobic compounds are especially dangerous for the roots of plants, which impede the flow of moisture and nutrients. The experiment of germination of sunflower seeds using various external factors, such as oil pollution in different concentrations (0.5%, 0.9%, 2.9%, 4.7%) and pre-processing of the gradient magnetic field. Magnetic field treatment was carried out with the help of a small-sized magnetoplasmic unit UMP-2. Comparative analysis of the root system of sunflower was carried out after germination in rolls of filter paper, planting of germinated seeds in universal soil for 30 days of plant growth. The obtained data indicate the stimulating effect of the magnetic field not only on the germination and growth parameters of plants, but also on the root system.
{"title":"Analysis of branching of sunflower roots under the influence of external factors","authors":"Darya V. Sergeeva, P. P. Purygin","doi":"10.37952/roi-jbc-01/19-60-11-75","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-75","url":null,"abstract":"Oil is an environmentally hazardous substance of class 3 (moderately hazardous substances). However, during transportation, oil is classified as hazard class 1 and 2 (extremely hazardous and highly hazardous substances), since during transportation of oil and oil products there is a likelihood of spills of hazardous substances as a result of an oil pipeline breakdown, emergency wagon-tank wagon derailment during transportation by rail, oil tanker wrecks and accidents. Getting into the soil, soil microflora degradation occurs, respiratory processes are disrupted and the composition of humus and soil microorganisms changes. Hydrophobic compounds are especially dangerous for the roots of plants, which impede the flow of moisture and nutrients. The experiment of germination of sunflower seeds using various external factors, such as oil pollution in different concentrations (0.5%, 0.9%, 2.9%, 4.7%) and pre-processing of the gradient magnetic field. Magnetic field treatment was carried out with the help of a small-sized magnetoplasmic unit UMP-2. Comparative analysis of the root system of sunflower was carried out after germination in rolls of filter paper, planting of germinated seeds in universal soil for 30 days of plant growth. The obtained data indicate the stimulating effect of the magnetic field not only on the germination and growth parameters of plants, but also on the root system.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"9 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77362545","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-1
Vladislav I. Rogozin, V. F. Markov, L. Maskaeva, Anastasia E. Krasovskaya, Nikita S. Shalagin
Thanks to such unique properties as transparency and conductivity tin dioxide often utilize as transparent contact layer to produce displays, solar cells, and sensor devices. Hydrochemical method of deposition SnO2 films is a perspective due to its simplicity, and economical efficiency. The ionic equilibria analysis was carried out and the boundary conditions of Sn(OH)2 solid phase formation in the «Sn2+ – H2O – OH‾» system calculated. It was established, that tin(II) hydroxide may be obtain in the range 2 < pH < 12. Preliminary results allow to determinate an optimal mixture sourness interval 1 < pH < 5. Revealed, that the thickness of the Sn(OH)2 films strongly depends on the solution pH. Maximum value of 488 nm reached at pH = 8. Conductive SnO2 layers were obtained on a glass and sitall substrates with simultaneously presence of antimony chloride and ammonium fluoride followed by annealing in air. The thickness vs temperature and thickness vs tin initial salt concentration dependences were installed. The uniform tin hydroxide layers with a thickness of ~74 nm may be synthesized under pH = 2 conditions. By the electron microscopy method the average particle size was established changing from 200 to 400 nm for as-synthesized films, to ~20 nm for annealed which indicates the nanostructure nature of the films. The morphology, elemental composition and conductive properties of deposited films were investigated before and after heating stage. Studying the annealing temperature influence at the film resistance were identified a three temperature ranges within which the films sharply differ in their conductive properties, which is associated with phase and structural transformations in them. Shown, that the most conductive SnO2 films with the omic resistance 3-5 kOm/sm were obtained at the temperature range 620-870 K.
{"title":"Obtaining the conductive SnO2 films by chemical bath deposition method","authors":"Vladislav I. Rogozin, V. F. Markov, L. Maskaeva, Anastasia E. Krasovskaya, Nikita S. Shalagin","doi":"10.37952/roi-jbc-01/19-60-11-1","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-1","url":null,"abstract":"Thanks to such unique properties as transparency and conductivity tin dioxide often utilize as transparent contact layer to produce displays, solar cells, and sensor devices. Hydrochemical method of deposition SnO2 films is a perspective due to its simplicity, and economical efficiency. The ionic equilibria analysis was carried out and the boundary conditions of Sn(OH)2 solid phase formation in the «Sn2+ – H2O – OH‾» system calculated. It was established, that tin(II) hydroxide may be obtain in the range 2 < pH < 12. Preliminary results allow to determinate an optimal mixture sourness interval 1 < pH < 5. Revealed, that the thickness of the Sn(OH)2 films strongly depends on the solution pH. Maximum value of 488 nm reached at pH = 8. Conductive SnO2 layers were obtained on a glass and sitall substrates with simultaneously presence of antimony chloride and ammonium fluoride followed by annealing in air. The thickness vs temperature and thickness vs tin initial salt concentration dependences were installed. The uniform tin hydroxide layers with a thickness of ~74 nm may be synthesized under pH = 2 conditions. By the electron microscopy method the average particle size was established changing from 200 to 400 nm for as-synthesized films, to ~20 nm for annealed which indicates the nanostructure nature of the films. The morphology, elemental composition and conductive properties of deposited films were investigated before and after heating stage. Studying the annealing temperature influence at the film resistance were identified a three temperature ranges within which the films sharply differ in their conductive properties, which is associated with phase and structural transformations in them. Shown, that the most conductive SnO2 films with the omic resistance 3-5 kOm/sm were obtained at the temperature range 620-870 K.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77726324","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-79
A. S. Russkih, S. Agafonov, A. Ponomarenko
In this paper, we consider the advantage of using the metallothermic method for producing alloys, in contrast to traditional methods. Using the HSC Chemistry 6.1 software package, thermodynamic modeling was performed. The possibility of obtaining intermetallic compounds by the joint aluminothermic reduction of Zr, Ta, Nb oxides is shown. The alloy was obtained by aluminothermic reduction of aluminum, zirconium, tantalum and niobium oxides in a resistance furnace, followed by grinding and powder size 40-100 microns. An experimental study of the sequence of phase formation and the boundaries of their existence was investigated using differential thermal analysis (DTA). The experiment was carried out on a STA 449 F3 Jupiter (NETZSCH) synchronous thermal analysis instrument in an argon flow GOST 10157-79 (the volume fraction of argon is at least 99.993%), the flow rate of the gas used was 30 ml/min. X-ray phase analysis (XRD) of the products (after DTA) was carried out on an XRD 7000 diffractometer (Shimadzu). By the relative intensity of the lines of the various phases, their quantitative ratio was estimated. The diffraction patterns were decoded using literature data, as well as the JCPDS (International Center For Diffraction Data) and ASTM (American Society for Testing and Materials) databases. According to the obtained XRD data, in the sample at temperatures of 954.5 and 1309.1 ºС, respectively, the formation of a solid solution (Zr, Nb, Ta)Al2 occurs, which is isostructural to the intermetallic Al3Zr. In both cases, the concomitant ZrAl2 intermetallic compound is also formed. The performed study can serve as a scientific basis for the development of promising metallothermal technologies for the production of rare metal alloys.
{"title":"Investigation of the features of phase formation in the joint aluminothermic reduction of ZrO2, Ta2O5, Nb2O5","authors":"A. S. Russkih, S. Agafonov, A. Ponomarenko","doi":"10.37952/roi-jbc-01/19-60-11-79","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-79","url":null,"abstract":"In this paper, we consider the advantage of using the metallothermic method for producing alloys, in contrast to traditional methods. Using the HSC Chemistry 6.1 software package, thermodynamic modeling was performed. The possibility of obtaining intermetallic compounds by the joint aluminothermic reduction of Zr, Ta, Nb oxides is shown. The alloy was obtained by aluminothermic reduction of aluminum, zirconium, tantalum and niobium oxides in a resistance furnace, followed by grinding and powder size 40-100 microns. An experimental study of the sequence of phase formation and the boundaries of their existence was investigated using differential thermal analysis (DTA). The experiment was carried out on a STA 449 F3 Jupiter (NETZSCH) synchronous thermal analysis instrument in an argon flow GOST 10157-79 (the volume fraction of argon is at least 99.993%), the flow rate of the gas used was 30 ml/min. X-ray phase analysis (XRD) of the products (after DTA) was carried out on an XRD 7000 diffractometer (Shimadzu). By the relative intensity of the lines of the various phases, their quantitative ratio was estimated. The diffraction patterns were decoded using literature data, as well as the JCPDS (International Center For Diffraction Data) and ASTM (American Society for Testing and Materials) databases. According to the obtained XRD data, in the sample at temperatures of 954.5 and 1309.1 ºС, respectively, the formation of a solid solution (Zr, Nb, Ta)Al2 occurs, which is isostructural to the intermetallic Al3Zr. In both cases, the concomitant ZrAl2 intermetallic compound is also formed. The performed study can serve as a scientific basis for the development of promising metallothermal technologies for the production of rare metal alloys.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"68 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89299241","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-93
N. A. Bondareva, P. P. Purygin, Olga O. Isaeva
Salicylic acid is currently of little use, but its derivatives are one of the most large-tonnage drugs in the world. However, the natural sources of salicylic acid cannot satisfy the needs for its preparations and therefore the acid and its derivatives are obtained exclusively by synthetic means. Derivatives of salicylic acid are of great interest, due to their high reactivity and widespread use in medical practice as anti-inflammatory, antipyretic, analgesic, antimicrobial, antiseptic and anti-tuberculosis drugs. Currently, there is a fairly large body of data on the synthesis, structure, and biological properties of various derivatives of salicylic acid, however, it should be noted that derivatives of salicylic acid and various derivatives of amino acids and salicylic acid are poorly studied. The relevance of studying the properties of new transformed derivatives of salicylic acid is due to broad prospects that open the borders for realizing the potential for further chemical modification inherent in the structure of these new substances with a combination of several active groups: carbonyl and hydroxyl. Such a combination in a molecule of derivatives based on salicylic acid, containing known pharmacological groups in its structure, often leads to the appearance of a new high hemostatic activity. In the course of our work, we synthesized some esters based on salicylic acid, and also determined the antiplatelet and anticoagulant activity of the first synthesized substances. The study was conducted on the indicators of coagulogram in vitro on human donated blood. It was found that all provided compounds exhibit anti-aggregation activity, some of the compounds obtained by us exhibit anti-aggregation activity of more than 10%. All the experimental work was performed by us at the Department of Anesthesiology and Intensive Care with the course of the Institute of Continuing and Professional Education of the Bashkir State Medical University of the Ministry of Health of Russia on the basis of the Central Research Laboratory of the Bashkir State Medical University of the Ministry of Health of Russia and GBUZ RKB named after G.G. Kuvatova in accordance with the recommendations of the "Guidelines for the preclinical study of new pharmacological substances."
{"title":"Synthesis and biological activity of a number of salicylic acid esters","authors":"N. A. Bondareva, P. P. Purygin, Olga O. Isaeva","doi":"10.37952/roi-jbc-01/19-60-11-93","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-93","url":null,"abstract":"Salicylic acid is currently of little use, but its derivatives are one of the most large-tonnage drugs in the world. However, the natural sources of salicylic acid cannot satisfy the needs for its preparations and therefore the acid and its derivatives are obtained exclusively by synthetic means. Derivatives of salicylic acid are of great interest, due to their high reactivity and widespread use in medical practice as anti-inflammatory, antipyretic, analgesic, antimicrobial, antiseptic and anti-tuberculosis drugs. Currently, there is a fairly large body of data on the synthesis, structure, and biological properties of various derivatives of salicylic acid, however, it should be noted that derivatives of salicylic acid and various derivatives of amino acids and salicylic acid are poorly studied. The relevance of studying the properties of new transformed derivatives of salicylic acid is due to broad prospects that open the borders for realizing the potential for further chemical modification inherent in the structure of these new substances with a combination of several active groups: carbonyl and hydroxyl. Such a combination in a molecule of derivatives based on salicylic acid, containing known pharmacological groups in its structure, often leads to the appearance of a new high hemostatic activity. In the course of our work, we synthesized some esters based on salicylic acid, and also determined the antiplatelet and anticoagulant activity of the first synthesized substances. The study was conducted on the indicators of coagulogram in vitro on human donated blood. It was found that all provided compounds exhibit anti-aggregation activity, some of the compounds obtained by us exhibit anti-aggregation activity of more than 10%. All the experimental work was performed by us at the Department of Anesthesiology and Intensive Care with the course of the Institute of Continuing and Professional Education of the Bashkir State Medical University of the Ministry of Health of Russia on the basis of the Central Research Laboratory of the Bashkir State Medical University of the Ministry of Health of Russia and GBUZ RKB named after G.G. Kuvatova in accordance with the recommendations of the \"Guidelines for the preclinical study of new pharmacological substances.\"","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80049006","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-151
L. Yunnikova, Yulia E. Likhareva
Interaction between 1,3-dimethylbenzimidazolinium iodide (as an analogue of 1,3-benzodithiolium and 1,3-benzothiolium and tropylium salts), aromatic Schiff bases, and sodium tetrahydroborate in tetrahydrofurane medium (in the presence of imidazole as a cation carrier, or without) at the ratio of starting reagents imine : 1,3-dimethylbenzimidazolinium iodide : sodium tetrahydroborate = 1:1:1 was studied. It was found out that, as basically distinct from the reaction of imines with analogues (1,3-benzodithiolium and 1,3-benzothiolium and tropylium salts) which, while reacting under similar conditions with Schiff bases, form accordingly the products of reductive heterylation – N-arylmethyl-4-(1,3-benzodithiol-2-il)aniline, or tropylation – N-arylmethyl-4-(7-cyclohepta-1,3,5-trienyl)aniline, whereas the reaction of imines with 1,3-dimethylbenz-imidazolinium iodide under similar conditions afforded N-arylmethylanilines in a high yield. This fact enables characterizing the 1,3-dimethylbenzimidazolinium iodide cation as more stable and less electrophilic due to an appreciable delocalization of a positive charge in the cation and, as a consequence, placing it as last (less reactive) in a series of known heteroanalogues (1,3-benzodithiolium > xanthilium > thioxanthilium > tropylium > N-methylacridinium > 1,3-dimethylbenzimidazolinium). The use of 1,3-dimethylbenzimidazoline as a donor of hydride-ion H (instead of sodium tetrahydroborate) also results in corresponding secondary aromatic amines as the reduction products of Schiff bases.
以亚胺:1,3-二甲基苯并咪唑碘化物:四氢硼酸钠= 1:1:1为起始试剂，研究了在四氢呋喃介质中(以咪唑为阳离子载体存在或不存在)，1,3-二甲基苯并咪唑碘化物与四氢硼酸钠的相互作用。研究发现，与亚胺与类似物(1,3-苯并噻唑和1,3-苯并噻唑和tropyum盐)的反应基本不同，后者在类似的条件下与席夫碱反应时，会相应地形成还原杂化- n -芳基甲基-4-(1,3-苯并噻唑-2-il)苯胺或三甲基化- n -芳基甲基-4-(7-环庚-1,3,5-三烯基)苯胺的产物。而亚胺与1,3-二甲基苯-咪唑碘化物在类似条件下反应可高产得n -芳基甲基苯胺。这一事实使得1,3-二甲基苯并咪唑碘化物阳离子更稳定，亲电性更低，因为阳离子中有明显的正电荷离位，因此，将其放在一系列已知的异类似物(1,3-苯并二噻唑>黄杂唑>硫杂唑> tropylium > n -甲基吖啶鎓> 1,3-二甲基苯并咪唑)的最后(活性较低)。使用1,3-二甲基苯并咪唑啉作为氢化离子H(而不是四氢硼酸钠)的供体也会得到相应的仲芳香胺作为希夫碱的还原产物。
{"title":"1,3-Dimethylbenzimidazolinium iodide and 1,3-dimethylbenzimidazoline in reduction processes of C=N group of imines","authors":"L. Yunnikova, Yulia E. Likhareva","doi":"10.37952/roi-jbc-01/19-60-11-151","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-151","url":null,"abstract":"Interaction between 1,3-dimethylbenzimidazolinium iodide (as an analogue of 1,3-benzodithiolium and 1,3-benzothiolium and tropylium salts), aromatic Schiff bases, and sodium tetrahydroborate in tetrahydrofurane medium (in the presence of imidazole as a cation carrier, or without) at the ratio of starting reagents imine : 1,3-dimethylbenzimidazolinium iodide : sodium tetrahydroborate = 1:1:1 was studied. It was found out that, as basically distinct from the reaction of imines with analogues (1,3-benzodithiolium and 1,3-benzothiolium and tropylium salts) which, while reacting under similar conditions with Schiff bases, form accordingly the products of reductive heterylation – N-arylmethyl-4-(1,3-benzodithiol-2-il)aniline, or tropylation – N-arylmethyl-4-(7-cyclohepta-1,3,5-trienyl)aniline, whereas the reaction of imines with 1,3-dimethylbenz-imidazolinium iodide under similar conditions afforded N-arylmethylanilines in a high yield. This fact enables characterizing the 1,3-dimethylbenzimidazolinium iodide cation as more stable and less electrophilic due to an appreciable delocalization of a positive charge in the cation and, as a consequence, placing it as last (less reactive) in a series of known heteroanalogues (1,3-benzodithiolium > xanthilium > thioxanthilium > tropylium > N-methylacridinium > 1,3-dimethylbenzimidazolinium). The use of 1,3-dimethylbenzimidazoline as a donor of hydride-ion H (instead of sodium tetrahydroborate) also results in corresponding secondary aromatic amines as the reduction products of Schiff bases.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"124 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86472363","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 : 2019-11-30DOI: 10.37952/roi-jbc-01/19-60-11-106
A. Vu, M. A. Ryabov, O. Kovalchukova, D. S. Gusarov
In this paper, using the method DFT/B3LYP of quantum chemical modeling, the stability of tautomeric, conformer, and anionic forms of 2-(2-(2-hydroxy-5-sulfamoylphenyl)hydrazone-3-oxo-N-phenylbutanamide (H2L) was studied and the geometric, electronic structure and bond lengths of molecules in various tautomeric forms were determined. It was shown that the stability of tautomeric molecules H2L as anionic forms was determined by the number of existing intermolecular hydrogen bonds (closing six-membered and five-membered cycles). The most stable tautomeric and conformal forms of an organic molecule and its dianion are proposed. The interatomic distances, angles, charges on atoms, IR and electronic absorption spectra of tautomeric forms of the molecule and dianion (H2L and L2-) were calculated. In this work, we studied the electronic absorption spectra in an aqueous-alcoholic solution and found that in an alkaline medium the molecule transforms into the ionic form with a bathochromic shift of 47 nm, corresponding to the results of the shift of the long-wavelength band electronic absorption spectra upon transition from the hydrazotautomer (form a) to the dianion form (form b’’) at 92 nm obtained by TD-DFT. The calculated results for the distance and angles between atoms are in good agreement with the experimental data of the molecule by X-ray diffraction analysis. It was shown that the IR spectrum of the stable form appears two absorption bands in the region of 1690 and 1655 cm–1, which are attributed to stretching vibrations of carbonyl groups (C=O), bound by a strong intramolecular hydrogen bond and the presence of the NH-hydrazone fragment of the 1H NMR spectrum confirmed the most stable for a neutral molecule is the hydrazone form.
本文采用量子化学建模的DFT/B3LYP方法，研究了2-(2-(2-(2-羟基-5-磺胺基苯基)腙-3-氧- n -苯基丁酰胺(H2L)的互变异构体、构象和阴离子形式的稳定性，并测定了各种互变异构体形式下分子的几何结构、电子结构和键长。结果表明，阴离子形式的互变异构体分子H2L的稳定性取决于分子间氢键(六元环和五元环)的数量。提出了有机分子及其离子最稳定的互变异构体和共形构象。计算了分子和离子(H2L和L2-)的互变异构体形式的原子间距离、角度、原子上的电荷、红外和电子吸收光谱。在这项工作中，我们研究了水-醇溶液中的电子吸收光谱，发现分子在碱性介质中转变为离子形式，具有47 nm的色移，对应于TD-DFT在92 nm处从腙互变异构体(形式a)转变为离子形式(形式b”)时的长波带电子吸收光谱的位移结果。原子间距离和原子间角度的计算结果与x射线衍射分析的实验数据吻合较好。结果表明，稳定形式的红外光谱在1690和1655 cm-1区域出现两条吸收带，这是由于羰基(C=O)被强分子内氢键结合而产生的伸缩振动引起的，1H NMR谱的存在证实了中性分子最稳定的是腙形式。
{"title":"Spectral and quantum chemical study of tautomeric and ion transformations of 2-(2-(2-hydroxy-5-sulfamoylphenyl)- hydrazono)-3-oxo-N-phenylbutanamide","authors":"A. Vu, M. A. Ryabov, O. Kovalchukova, D. S. Gusarov","doi":"10.37952/roi-jbc-01/19-60-11-106","DOIUrl":"https://doi.org/10.37952/roi-jbc-01/19-60-11-106","url":null,"abstract":"In this paper, using the method DFT/B3LYP of quantum chemical modeling, the stability of tautomeric, conformer, and anionic forms of 2-(2-(2-hydroxy-5-sulfamoylphenyl)hydrazone-3-oxo-N-phenylbutanamide (H2L) was studied and the geometric, electronic structure and bond lengths of molecules in various tautomeric forms were determined. It was shown that the stability of tautomeric molecules H2L as anionic forms was determined by the number of existing intermolecular hydrogen bonds (closing six-membered and five-membered cycles). The most stable tautomeric and conformal forms of an organic molecule and its dianion are proposed. The interatomic distances, angles, charges on atoms, IR and electronic absorption spectra of tautomeric forms of the molecule and dianion (H2L and L2-) were calculated. In this work, we studied the electronic absorption spectra in an aqueous-alcoholic solution and found that in an alkaline medium the molecule transforms into the ionic form with a bathochromic shift of 47 nm, corresponding to the results of the shift of the long-wavelength band electronic absorption spectra upon transition from the hydrazotautomer (form a) to the dianion form (form b’’) at 92 nm obtained by TD-DFT. The calculated results for the distance and angles between atoms are in good agreement with the experimental data of the molecule by X-ray diffraction analysis. It was shown that the IR spectrum of the stable form appears two absorption bands in the region of 1690 and 1655 cm–1, which are attributed to stretching vibrations of carbonyl groups (C=O), bound by a strong intramolecular hydrogen bond and the presence of the NH-hydrazone fragment of the 1H NMR spectrum confirmed the most stable for a neutral molecule is the hydrazone form.","PeriodicalId":9405,"journal":{"name":"Butlerov Communications","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75561113","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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