Pub Date : 2023-10-04DOI: 10.15826/chimtech.2023.10.3.13
Yuliya Sinelnikova, Alexander Nizovskii , Nikolai Uvarov
The use of nitrogen-doped carbon materials as electrodes in supercapacitors is a promising area of research. In this study highly-porous nitrogen-containing carbon materials were obtained by pyrolysis of melamine formaldehyde resin in the presence of nanocrystalline MgO as a hard template that was washed off after the pyrolysis. Magnesium citrate was used as a precursor for the synthesis of the template agent in situ during the pyrolysis of the resin. The obtained materials were characterized by X-ray diffraction, BET nitrogen adsorption method and Raman spectroscopy. The presence of nitrogen in the amount of 4 atomic percent was proved by XPS spectroscopy. The specific surface area was found to increase monotonically from 10 to 1300 m2/g with an increase in the content of magnesium citrate in the initial mixture. The samples showed high capacitance of 120 F/g in 1 M H2SO4 electrolyte and can be used in supercapacitors.
在超级电容器中使用氮掺杂碳材料作为电极是一个很有前途的研究领域。本研究采用纳米晶MgO作为硬模板，对三聚氰胺甲醛树脂进行热解制备高孔含氮碳材料。在树脂热解过程中，以柠檬酸镁为前驱体原位合成模板剂。用x射线衍射、BET氮吸附法和拉曼光谱对所得材料进行了表征。用XPS光谱法证实了氮的存在，氮的原子量为4%。随着初始混合物中柠檬酸镁含量的增加，其比表面积从10单调增加到1300 m2/g。样品在1 M H2SO4电解液中表现出120 F/g的高电容，可用于超级电容器。
{"title":"Synthesis of highly-porous nitrogen-doped carbon materials by pyrolysis of melamine-formaldehyde resin using a hard template","authors":"Yuliya Sinelnikova, Alexander Nizovskii , Nikolai Uvarov","doi":"10.15826/chimtech.2023.10.3.13","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.3.13","url":null,"abstract":"The use of nitrogen-doped carbon materials as electrodes in supercapacitors is a promising area of research. In this study highly-porous nitrogen-containing carbon materials were obtained by pyrolysis of melamine formaldehyde resin in the presence of nanocrystalline MgO as a hard template that was washed off after the pyrolysis. Magnesium citrate was used as a precursor for the synthesis of the template agent in situ during the pyrolysis of the resin. The obtained materials were characterized by X-ray diffraction, BET nitrogen adsorption method and Raman spectroscopy. The presence of nitrogen in the amount of 4 atomic percent was proved by XPS spectroscopy. The specific surface area was found to increase monotonically from 10 to 1300 m2/g with an increase in the content of magnesium citrate in the initial mixture. The samples showed high capacitance of 120 F/g in 1 M H2SO4 electrolyte and can be used in supercapacitors.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135646774","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 : 2023-09-13DOI: 10.15826/chimtech.2023.10.4.04
Denis A. Bondarev, Aslan R. Achoh, Alexander V. Bespalov, Stanislav S. Melnikov, Mikhail V. Sharafan, Viktor I. Zabolotskiy
The paper presents the results of studying the electrochemical characteristics and long-term stability of MA-41 membranes on the surface of which poly-N,N-diallylmorpholinium bromide was applied. The deposition of a polyelectrolyte on the membrane surface leads to an increase in the limiting current from 0.8 to 1.1 mA/cm2. The comparison of the experimental and theoretically calculated values of the limiting current density allows us to conclude that the modification of the membrane surface by poly-N,N-diallylmorpholinium bromide does not lead to the formation of a continuous polyelectrolyte film on the surface, but its fixation occurs due to the sorption of macromolecules on the surface of the ion-exchanger particles. To quantify the rate of the water dissociation reaction at the membrane/solution interface, the method of electrochemical impedance was used, which makes it possible to compare the rate constants of the water dissociation reaction for different membranes, assuming that the reaction is described by the Gericher impedance. It is shown that modification of the MA-41 membrane surface leads to a decrease in the rate of the water dissociation reaction in the current range i = 1.5–4ilim by a factor of 2–6. The reduction in water dissociation reaction rate is attributed to the substitution of catalytically active secondary and tertiary amino groups in the surface layer of the pristine membrane by stable heterocyclic ammonium bases of poly-N,N-diallylmorpholinium. The study of the long-term stability of the resulting membrane showed that when the membrane is polarized with a current equal to twice the limiting current, the desorption of the modifier occurs within 25 h, and the properties of the membrane become close to those of the unmodified MA-41 membrane. It was shown that the electrochemical impedance method can be used as a very sensitive method for studying the long-term stability of ion-exchange membranes.
本文介绍了用聚n, n -二烯基morpholinium在MA-41膜表面涂覆的电化学特性和长期稳定性的研究结果。聚电解质在膜表面的沉积导致极限电流从0.8 mA/cm2增加到1.1 mA/cm2。通过实验和理论计算的极限电流密度值的比较，我们可以得出结论:聚n, n-二烯丙基morpholinium对膜表面的修饰不会导致表面上形成连续的聚电解质膜，而是由于离子交换剂颗粒表面大分子的吸附而发生固定。为了量化膜/液界面上的水解离反应速率，采用电化学阻抗法，假设反应用Gericher阻抗描述，可以比较不同膜上的水解离反应速率常数。结果表明，在电流i = 1.5 ~ 4ilim范围内，对MA-41膜表面进行改性可使水解离反应速率降低2 ~ 6倍。水解离反应速率的降低是由于原始膜表层具有催化活性的仲、三级氨基被稳定的聚n, n -二烯丙基morpholinium杂环铵基取代。对制备的膜的长期稳定性研究表明，当膜的极化电流为极限电流的两倍时，改性剂在25 h内发生解吸，膜的性能接近未改性的MA-41膜。结果表明，电化学阻抗法是研究离子交换膜长期稳定性的灵敏方法。
{"title":"Use of electrochemical impedance spectroscopy to assess the stability of the anion exchange membrane MA-41, modified by poly-N,N-diallylmorpholine bromide in overlimiting current modes","authors":"Denis A. Bondarev, Aslan R. Achoh, Alexander V. Bespalov, Stanislav S. Melnikov, Mikhail V. Sharafan, Viktor I. Zabolotskiy","doi":"10.15826/chimtech.2023.10.4.04","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.4.04","url":null,"abstract":"The paper presents the results of studying the electrochemical characteristics and long-term stability of MA-41 membranes on the surface of which poly-N,N-diallylmorpholinium bromide was applied. The deposition of a polyelectrolyte on the membrane surface leads to an increase in the limiting current from 0.8 to 1.1 mA/cm2. The comparison of the experimental and theoretically calculated values of the limiting current density allows us to conclude that the modification of the membrane surface by poly-N,N-diallylmorpholinium bromide does not lead to the formation of a continuous polyelectrolyte film on the surface, but its fixation occurs due to the sorption of macromolecules on the surface of the ion-exchanger particles. To quantify the rate of the water dissociation reaction at the membrane/solution interface, the method of electrochemical impedance was used, which makes it possible to compare the rate constants of the water dissociation reaction for different membranes, assuming that the reaction is described by the Gericher impedance. It is shown that modification of the MA-41 membrane surface leads to a decrease in the rate of the water dissociation reaction in the current range i = 1.5–4ilim by a factor of 2–6. The reduction in water dissociation reaction rate is attributed to the substitution of catalytically active secondary and tertiary amino groups in the surface layer of the pristine membrane by stable heterocyclic ammonium bases of poly-N,N-diallylmorpholinium. The study of the long-term stability of the resulting membrane showed that when the membrane is polarized with a current equal to twice the limiting current, the desorption of the modifier occurs within 25 h, and the properties of the membrane become close to those of the unmodified MA-41 membrane. It was shown that the electrochemical impedance method can be used as a very sensitive method for studying the long-term stability of ion-exchange membranes.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135786179","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 : 2023-09-05DOI: 10.15826/chimtech.2023.10.4.03
Iltifat Hameed Saud, Forat Yasir AlJaberi
This paper reviews various separation techniques used in purification processes to remove pollutants like carbon dioxide and hydrogen sulfide from petroleum products. The most effective techniques include absorption, adsorption, cryogenic distillation, chemical looping combustion, and membrane separation. The study reviews over 100 published studies to assess their characteristics, benefits, and drawbacks. The choice of separation technology depends on ideal conditions, cost, efficiency, and energy required in the regeneration phase.
{"title":"The most effective techniques of industrial purification processes: a technical review","authors":"Iltifat Hameed Saud, Forat Yasir AlJaberi","doi":"10.15826/chimtech.2023.10.4.03","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.4.03","url":null,"abstract":"This paper reviews various separation techniques used in purification processes to remove pollutants like carbon dioxide and hydrogen sulfide from petroleum products. The most effective techniques include absorption, adsorption, cryogenic distillation, chemical looping combustion, and membrane separation. The study reviews over 100 published studies to assess their characteristics, benefits, and drawbacks. The choice of separation technology depends on ideal conditions, cost, efficiency, and energy required in the regeneration phase.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135364012","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 : 2023-08-31DOI: 10.15826/chimtech.2023.10.3.12
Ilia M. Antonov, Mikhail A. Mikhailenko, Tatyana P. Shakhtshneider, Ilia V. Eltsov, Svetlana A. Kuznetsova, Maxim V. Zelikman, Alexander A. Bryazgin
The aim of this research was to obtain the grafted copolymer of chitosan with acrylamide using the electron beam irradiation. Radiation dose was varied from 6 to 160 kGy. The highest yield of the product was observed at radiation dose of 12–40 kGy. Further increase in the dose caused a decrease in the product yield as well as its solubility in water. Using gel permeation chromatography, it was confirmed that unreacted chitosan remained in the product. NMR study of the water-soluble part of the product obtained under the doses of 6, 12, and 20 kGy showed that the length of the side chains of grafted acrylamide was about 2 elementary units. Investigation of chitosan solutions by means of dynamic light scattering revealed the presence of chitosan agglomerates in the solution. The possibility of obtaining dense films was demonstrated. Mechanical treatment of the copolymer in the ball mill caused an increase in the solubility of the samples obtained even at radiation doses of 80 and 160 kGy. It was determined by means of chromatographic methods that there were no products with low molecular weight in the ball-milled product, and unreacted chitosan did not undergo mechanocracking during the mechanical treatment.
{"title":"Copolymer of chitosan with acrylamide: electron beam stimulated synthesis, structure and properties","authors":"Ilia M. Antonov, Mikhail A. Mikhailenko, Tatyana P. Shakhtshneider, Ilia V. Eltsov, Svetlana A. Kuznetsova, Maxim V. Zelikman, Alexander A. Bryazgin","doi":"10.15826/chimtech.2023.10.3.12","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.3.12","url":null,"abstract":"The aim of this research was to obtain the grafted copolymer of chitosan with acrylamide using the electron beam irradiation. Radiation dose was varied from 6 to 160 kGy. The highest yield of the product was observed at radiation dose of 12–40 kGy. Further increase in the dose caused a decrease in the product yield as well as its solubility in water. Using gel permeation chromatography, it was confirmed that unreacted chitosan remained in the product. NMR study of the water-soluble part of the product obtained under the doses of 6, 12, and 20 kGy showed that the length of the side chains of grafted acrylamide was about 2 elementary units. Investigation of chitosan solutions by means of dynamic light scattering revealed the presence of chitosan agglomerates in the solution. The possibility of obtaining dense films was demonstrated. Mechanical treatment of the copolymer in the ball mill caused an increase in the solubility of the samples obtained even at radiation doses of 80 and 160 kGy. It was determined by means of chromatographic methods that there were no products with low molecular weight in the ball-milled product, and unreacted chitosan did not undergo mechanocracking during the mechanical treatment.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135990897","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 : 2023-08-24DOI: 10.15826/chimtech.2023.10.3.11
N.Ya. Fedorov, A. Ulihin, Nikolai Uvarov
Polymer solid electrolytes were obtained by swelling the polyurethane elastomer with solutions of lithium salts LiBF4 and LiClO4 in DMSO at different concentration of lithium salt. The swelling effect was found to decrease with the increase in the salt concentration, whereas, the ionic conductivity has a maximum of 6–8·10–4 S/cm at 5 wt.% lithium salt. The salt solutions incorporated into the polymer pores have melting points ranging from –10 to 2 °C and de-swelling takes place at low temperatures. The obtained polyurethane elastomer materials have a high conductivity and may be promising for use in flexible lithium polymer batteries.
{"title":"Synthesis and properties of polymer electrolytes based on polyurethane elastomer and lithium salts","authors":"N.Ya. Fedorov, A. Ulihin, Nikolai Uvarov","doi":"10.15826/chimtech.2023.10.3.11","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.3.11","url":null,"abstract":"Polymer solid electrolytes were obtained by swelling the polyurethane elastomer with solutions of lithium salts LiBF4 and LiClO4 in DMSO at different concentration of lithium salt. The swelling effect was found to decrease with the increase in the salt concentration, whereas, the ionic conductivity has a maximum of 6–8·10–4 S/cm at 5 wt.% lithium salt. The salt solutions incorporated into the polymer pores have melting points ranging from –10 to 2 °C and de-swelling takes place at low temperatures. The obtained polyurethane elastomer materials have a high conductivity and may be promising for use in flexible lithium polymer batteries.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47937900","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 : 2023-08-23DOI: 10.15826/chimtech.2023.10.3.10
Y. Petrova, E. V. Bulatova, Dmitry O. Zelentsov, Y. Mateyshina
Hydrophilic molecularly imprinted resins (MIR), which are produced using hydrophilic monomers such as phenols, aldehydes, melamine or urea, have recently attracted increasing attention for use in separation and preconcentration. Among their obvious advantages are good sorption capacity, high recovery and selectivity, as well as their reusability in aqueous solutions. In this work we applied the bulk molecular imprinting method to produce quercetin-imprinted phenol-amino-formaldehyde resin. For this purpose, phloroglucinol and melamine solutions were mixed with formaldehyde and then polyethylene glycol and quercetin (Qu) were added to the obtained solution as a porogen and a template, respectively. The mixture was stirred under heating, then left in the thermostat for a continuous time. The optimum ratio of phloroglucinol to melamine was 3:1. The average molecular mass of porogen (Mw) varied between 4000–10000 Da. The obtained MIR were eluted with ethanol-water mixture (4:1, v/v) in the Soxhlet extractor for 36 h to remove the template. The MIR were characterized by FTIR-spectroscopy, laser diffraction spectroscopy and differential thermal analysis. The maximum recovery and sorption capacity of MIR synthesized in the presence of a porogen with Mw 10000 were 47% and 4.7 μmol Qu/g, respectively. The maximum imprinting factor was 1.41. The sorption kinetics of quercetin by a non-imprinted resin (NIR) is best described by a pseudo-second-order model, while MIR has a mixed pseudo-first-second-order mechanism.
{"title":"Hydrophilic molecularly imprinted phenol-amine-formaldehyde resins","authors":"Y. Petrova, E. V. Bulatova, Dmitry O. Zelentsov, Y. Mateyshina","doi":"10.15826/chimtech.2023.10.3.10","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.3.10","url":null,"abstract":"Hydrophilic molecularly imprinted resins (MIR), which are produced using hydrophilic monomers such as phenols, aldehydes, melamine or urea, have recently attracted increasing attention for use in separation and preconcentration. Among their obvious advantages are good sorption capacity, high recovery and selectivity, as well as their reusability in aqueous solutions. In this work we applied the bulk molecular imprinting method to produce quercetin-imprinted phenol-amino-formaldehyde resin. For this purpose, phloroglucinol and melamine solutions were mixed with formaldehyde and then polyethylene glycol and quercetin (Qu) were added to the obtained solution as a porogen and a template, respectively. The mixture was stirred under heating, then left in the thermostat for a continuous time. The optimum ratio of phloroglucinol to melamine was 3:1. The average molecular mass of porogen (Mw) varied between 4000–10000 Da. The obtained MIR were eluted with ethanol-water mixture (4:1, v/v) in the Soxhlet extractor for 36 h to remove the template. The MIR were characterized by FTIR-spectroscopy, laser diffraction spectroscopy and differential thermal analysis. The maximum recovery and sorption capacity of MIR synthesized in the presence of a porogen with Mw 10000 were 47% and 4.7 μmol Qu/g, respectively. The maximum imprinting factor was 1.41. The sorption kinetics of quercetin by a non-imprinted resin (NIR) is best described by a pseudo-second-order model, while MIR has a mixed pseudo-first-second-order mechanism.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44910112","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 : 2023-08-22DOI: 10.15826/chimtech.2023.10.3.09
Larissa R. Sassykova, B. Dossumova, M. S. Ilmuratova, T. Shakiyeva, B. Baizhomartov, A. Sassykova, Zh. M. Zhaxibayeva, T. Abildin
The purpose of this work was to create magnetic nanocatalysts that could be used for the oxidation of organic water pollutants – phenol and its derivatives – and to determine the physicochemical characteristics of the catalysts. The development of such active nanocomposite catalysts would solve the environmental problem in the Republic of Kazakhstan in the field of wastewater treatment from organic impurities, including phenols, and would also contribute to the subsequent creation of domestic production of oxygen-containing compounds, since almost the entire spectrum of oxygen-containing compounds for various industries is imported into the Republic. Nanosized magnetic composites based on Fe and Co were obtained by chemical deposition, in some cases, using polyethyleneimine and polyvinylpyrrolidone. It was shown that the interaction between nanoparticles and the polymer takes place in the case of a CoFe2O4 catalyst stabilized with polyvinylpyrrolidone or polyethyleneimine, which may indicate the efficient formation of nanocomposites. According to the IR study, for the CoFe2O4 nanocomposite stabilized with polyvinylpyrrolidone, the absorption bands at 735, 663, 649, 626 cm–1 are natural vibrations for the composite nanoparticles embedded in a polyvinylpyrrolidone matrix. The synthesized nanocomposites were tested in the oxidation of phenol with oxygen. The results demonstrate that the catalysts are promising both for the purification of industrial wastewater from phenol and for the synthesis of oxygen-containing compounds in the liquid phase under mild conditions.
{"title":"Development of nanostructured catalysts for catalytic oxidative water purification from organic impurities, including phenolic compounds","authors":"Larissa R. Sassykova, B. Dossumova, M. S. Ilmuratova, T. Shakiyeva, B. Baizhomartov, A. Sassykova, Zh. M. Zhaxibayeva, T. Abildin","doi":"10.15826/chimtech.2023.10.3.09","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.3.09","url":null,"abstract":"The purpose of this work was to create magnetic nanocatalysts that could be used for the oxidation of organic water pollutants – phenol and its derivatives – and to determine the physicochemical characteristics of the catalysts. The development of such active nanocomposite catalysts would solve the environmental problem in the Republic of Kazakhstan in the field of wastewater treatment from organic impurities, including phenols, and would also contribute to the subsequent creation of domestic production of oxygen-containing compounds, since almost the entire spectrum of oxygen-containing compounds for various industries is imported into the Republic. Nanosized magnetic composites based on Fe and Co were obtained by chemical deposition, in some cases, using polyethyleneimine and polyvinylpyrrolidone. It was shown that the interaction between nanoparticles and the polymer takes place in the case of a CoFe2O4 catalyst stabilized with polyvinylpyrrolidone or polyethyleneimine, which may indicate the efficient formation of nanocomposites. According to the IR study, for the CoFe2O4 nanocomposite stabilized with polyvinylpyrrolidone, the absorption bands at 735, 663, 649, 626 cm–1 are natural vibrations for the composite nanoparticles embedded in a polyvinylpyrrolidone matrix. The synthesized nanocomposites were tested in the oxidation of phenol with oxygen. The results demonstrate that the catalysts are promising both for the purification of industrial wastewater from phenol and for the synthesis of oxygen-containing compounds in the liquid phase under mild conditions.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42890285","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 : 2023-08-16DOI: 10.15826/chimtech.2023.10.3.08
I. Gainutdinov, N. Uvarov
The structure and transport properties of the pure salt [N4]BF4 and this salt located in the contact with the (110) surface of a-Al2O3 were studied using a MD computer simulation in order to reveal the effect of the salt/oxide interface on the structure and properties of the salt. The radial distribution functions of the ions and their mean square displacements were analyzed as a function of the temperature during the cooling of the salt. It was found that in all the cases anions are more mobile than cations. The molten phase of [N4]BF4 tends to crystallize at temperature 420 K which is close to the experimental melting point. The salt located in the [N4]BF4/(110)Al2O3 interface exhibits high values of anion self-diffusion coefficients which are higher by 1.2–2 orders of magnitude than in pure salt. This effect is likely to be caused by the formation of a layered atomic structure located within a characteristic thickness of 5 nm. Despite the structuring, the structure of the salt is amorphous, no crystallization-related effect is observed. The results of MD simulations agree with the experimental effect of the conductivity enhancement observed previously in [N4]BF4-Al2O3 nanocomposites.
{"title":"Molecular dynamic simulation of the [N(C4H9)4]BF4 / (110) α-Al2O3 interface","authors":"I. Gainutdinov, N. Uvarov","doi":"10.15826/chimtech.2023.10.3.08","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.3.08","url":null,"abstract":"The structure and transport properties of the pure salt [N4]BF4 and this salt located in the contact with the (110) surface of a-Al2O3 were studied using a MD computer simulation in order to reveal the effect of the salt/oxide interface on the structure and properties of the salt. The radial distribution functions of the ions and their mean square displacements were analyzed as a function of the temperature during the cooling of the salt. It was found that in all the cases anions are more mobile than cations. The molten phase of [N4]BF4 tends to crystallize at temperature 420 K which is close to the experimental melting point. The salt located in the [N4]BF4/(110)Al2O3 interface exhibits high values of anion self-diffusion coefficients which are higher by 1.2–2 orders of magnitude than in pure salt. This effect is likely to be caused by the formation of a layered atomic structure located within a characteristic thickness of 5 nm. Despite the structuring, the structure of the salt is amorphous, no crystallization-related effect is observed. The results of MD simulations agree with the experimental effect of the conductivity enhancement observed previously in [N4]BF4-Al2O3 nanocomposites.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45655332","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 : 2023-08-16DOI: 10.15826/chimtech.2023.10.4.02
M. Ulitko, Yu. P. Antonets, I. Antropova, Albert Mullabaev, E. Volokitina, A. Kasyanova, Ekaterina Loginova, Nataliia Tarasova
Creation of new ceramic materials for the bone augmentation purposes that combine the absence of cytotoxicity, high strength and osseointegration characteristics is an urgent modern task. In this work, the cytocompatibility of ceramic materials based on lanthanum zirconate (La2Zr2O7) was determined to assess the prospects for their use as implants and components of human joint endoprostheses. The effect of ceramic materials based on undoped and alkali-earth (Ca, Sr) doped La2Zr2O7 on the viability and proliferative activity of human cells was evaluated. The release of elements into the culture medium was also evaluated.
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Pub Date : 2023-08-14DOI: 10.15826/chimtech.2023.10.3.07
E. Meteleva, Elizaveta A. Roenko, N. Polyakov
More than 4.5 billion people worldwide are affected by parasitic diseases, with helminth infections accounting for 99% of the total number. Niclosamide (NS) is a weakly acidic active pharmaceutical ingredient (API) used to treat helminth infections. However, the pharmaceutical use of pure niclosamide is limited by its low bioavailability due to its poor aqueous solubility. The aim of this work is a mechanochemical preparation of niclosamide solid dispersions with increased solubility. Due to the pH dependence of NS water solubility and possible complexes formation, NS solid dispersions (SD) with 2-hydroxypropyl-β-cyclodextrin (HP-β-CD) and alkalizing agents, such as calcium carbonate (CaCO3) and N-methyl-D-glucamine (MG) are mechanochemically prepared in this study. The physical properties of NS SD in solid state are characterized by differential scanning calorimetry, X-ray diffraction, FT-IR spectroscopy, and scanning electron microscopy studies. The characteristics of the water solutions formed from the obtained SDs are analyzed by HPLC. It is shown that the solubility increases for all studied compositions. These phenomena are obliged by complexation with HP-β-CD, which was shown by 1H-NMR methods, and enhanced ionization in the cases of using calcium carbonate and MG. Results of the parallel artificial membrane permeability assay (PAMPA) have shown that mechanochemically obtained NS/MG SD (1/1 mass ratio, 8 h milling) significantly enhances permeation of NS across an artificial membrane. Thus, the obtained compositions are a promising basis for the development of NS-based preparations for oral administration, with reduced dose and high pharmacological effect.
全世界有超过45亿人受到寄生虫病的影响，其中寄生虫感染占总数的99%。氯硝柳胺(NS)是一种弱酸性活性药物成分，用于治疗寄生虫感染。然而，由于其水溶性差，纯氯硝柳胺的生物利用度低，限制了其在制药方面的应用。本工作的目的是机械化学制备具有增加溶解度的氯柳胺固体分散体。由于NS水溶性的pH依赖性和可能形成的配合物，本研究采用机械化学方法制备了NS固体分散体(SD)，其中含有2-羟丙基-β-环糊精(HP-β-CD)和碱化剂，如碳酸钙(CaCO3)和n -甲基- d -氨基葡萄糖(MG)。采用差示扫描量热法、x射线衍射法、红外光谱法和扫描电镜研究了固体状态下nssd的物理性质。用高效液相色谱法分析了SDs水溶液的性质。结果表明，所研究的所有组合物的溶解度都有所增加。这些现象是由HP-β-CD络合引起的，这是通过1H-NMR方法证明的，并且在碳酸钙和MG的情况下电离增强。平行人工膜渗透性试验(PAMPA)结果表明，机械化学获得的NS/MG SD(1/1质量比，磨铣8 h)显著提高了NS通过人工膜的渗透性。因此，所获得的组合物具有低剂量和高药理学效果，是开发口服nss制剂的有希望的基础。
{"title":"Increase of solubility and transmembrane permeability of niclosamide from its mechanochemically synthesized solid dispersions","authors":"E. Meteleva, Elizaveta A. Roenko, N. Polyakov","doi":"10.15826/chimtech.2023.10.3.07","DOIUrl":"https://doi.org/10.15826/chimtech.2023.10.3.07","url":null,"abstract":"More than 4.5 billion people worldwide are affected by parasitic diseases, with helminth infections accounting for 99% of the total number. Niclosamide (NS) is a weakly acidic active pharmaceutical ingredient (API) used to treat helminth infections. However, the pharmaceutical use of pure niclosamide is limited by its low bioavailability due to its poor aqueous solubility. The aim of this work is a mechanochemical preparation of niclosamide solid dispersions with increased solubility. Due to the pH dependence of NS water solubility and possible complexes formation, NS solid dispersions (SD) with 2-hydroxypropyl-β-cyclodextrin (HP-β-CD) and alkalizing agents, such as calcium carbonate (CaCO3) and N-methyl-D-glucamine (MG) are mechanochemically prepared in this study. The physical properties of NS SD in solid state are characterized by differential scanning calorimetry, X-ray diffraction, FT-IR spectroscopy, and scanning electron microscopy studies. The characteristics of the water solutions formed from the obtained SDs are analyzed by HPLC. It is shown that the solubility increases for all studied compositions. These phenomena are obliged by complexation with HP-β-CD, which was shown by 1H-NMR methods, and enhanced ionization in the cases of using calcium carbonate and MG. Results of the parallel artificial membrane permeability assay (PAMPA) have shown that mechanochemically obtained NS/MG SD (1/1 mass ratio, 8 h milling) significantly enhances permeation of NS across an artificial membrane. Thus, the obtained compositions are a promising basis for the development of NS-based preparations for oral administration, with reduced dose and high pharmacological effect.","PeriodicalId":9964,"journal":{"name":"Chimica Techno Acta","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44712286","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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