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Mechanical and Thermal Properties of Biodegradable Composites Based on graft copolymer LLDPE-g-MA/Gelatin 基于接枝聚合物LLDPE-g-MA/明胶的可生物降解复合材料的力学和热性能
Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-11
N. Normurodov, Q. Berdinazarov, M. Abdurazakov, N. Ashurov
The uncontrolled development of morphology at the stage of formation of biodegradable compositions based on synthetic and natural polymers limits the possibility of achieving satisfactory physical, mechanical and op-erational characteristics. In the present work, to achieve finely dispersed mixture morphology, an approach was proposed for reactive mixing of functionalized polyethylene with gelatin to form a linear low density polyethylene-grafted-maleic anhydride and gelatin (LLDPE-g-MA/GEL) graft copolymer. Using the selective extraction of the mixture components, we determined amount of graft copolymer LLDPE-g-MA/GEL, free gelatin, mechanical and thermal properties, as well as biodegradability data. It was found that as the amount of maleic groups in the polyethylene macromolecule increased, the amount of graft copolymer increased, and an increase in the content of gelatin in the blend led to a noticeable increase in the elastic modulus, tensile strength, and a decrease in elongation at break. Due to the degradation of gelatin, the thermal stability of the composite (initial temperature) decreased with increasing gelatin content. The maximum rate of destruction of the graft copolymer in the temperature range of 400–500 ºC increased markedly with an increase in the content of gelatin. It was found that the rate of biodegradability would increase with an increase in the content of gelatin in the blend; the maximum level of degradation was observed during the first 10 days and was more than 50 %. It was found that the maximum degree of grafting LLDPE-g-MA and gelatin to each other de-pended on the amount of maleic anhydride in the graft copolymer. The maximum degree of grafting was ob-served to be higher with increasing amount of maleic anhydride in the composites.
在形成基于合成和天然聚合物的可生物降解组合物的阶段,形态的不受控制的发展限制了实现令人满意的物理、机械和操作特性的可能性。在本工作中,为了实现精细分散的混合物形态,提出了一种将功能化聚乙烯与明胶反应混合的方法,以形成线性低密度聚乙烯-接枝马来酸酐-明胶(LLDPE-g-MA/GEL)接枝共聚物。通过对混合物组分的选择性提取,我们测定了接枝共聚物LLDPE-g-MA/GEL、游离明胶的用量、机械性能和热性能,以及生物降解性数据。研究发现,随着聚乙烯大分子中马来烯基含量的增加,接枝共聚物的数量增加,共混物中明胶含量的增加导致其弹性模量、抗拉强度明显增加,断裂伸长率明显降低。由于明胶的降解,复合材料的热稳定性(初始温度)随着明胶含量的增加而降低。随着明胶含量的增加,接枝共聚物在400 ~ 500℃范围内的最大破坏速率显著增加。研究发现,随着明胶含量的增加,生物降解率也随之提高;在前10天观察到最大程度的降解,超过50%。结果表明,LLDPE-g-MA与明胶的最大接枝程度取决于接枝共聚物中马来酸酐的用量。随着马来酸酐用量的增加,复合材料的最大接枝度越高。
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引用次数: 0
Synthesis and Antibacterial Activity of Hydrazones of Isonicotinic and Salicylic Acids Based on Acetyl Derivatives of Coumarin and Benzo[g][1,3,5]Oxadiazocine 香豆素和苯并乙酰基衍生物异烟酸和水杨酸腙的合成及其抑菌活性[j][1,3,5]恶二唑嗪
Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-2
D.M. Turgunalieva, D.s. Dilbaryan, A. Vasilchenko, O. Nurkenov, S. Fazylov, G. Karipova, Т. Seilkhanov, I. Kulakov
In recent decades, the efforts of many researchers in the sphere of organic chemistry, physics and pharmacol-ogy have been focused on the search for new agents with pronounced antibacterial and especially antifungal activity. This is due to the widespread increase in the resistance of many bacterial strains and fungi to antibi-otics and antifungal drugs available in medical practice. In this regard, the number of works related to the synthesis of new potential antibiotics from the most diverse class of organic derivatives, which either include known pharmacophore groups or represent a new structural class of compounds with unknown and unex-plored activity, is increasing in the scientific literature. In this work, new previously undescribed hydrazones derivatives were obtained on the basis of physiologically active isonicotinic and salicylic acid hydroxides and laboratory-available acetyl-substituted heterocycles, namely 3-acetyl-2H-chromen-2-one 3, 2-acetyl-3H-benzo[f]chromen-3-one 4 and 2,6-methanobenzo[g][1,3,5]oxadiazocine 5. The obtained hydrazones structure is explicitly proved by IR and 1H, 13C NMR spectroscopy data. The synthesized six new hydrazones under-went biological screening for antibacterial and antifungal activity on strains of microorganisms, namely gram-positive bacterium Staphylococcus aureus 209P, gram-negative bacterium Pectobacterium carotovorum VKM-B1247, and yeast-like fungus Candida albicans ATCC 10231. Screening revealed three compounds with antimicrobial activity and one promising compound — (E)-2-hydroxy-N’-(1-(2-oxochroman-3-yl)ethylidene)benzohydrazide 9, which also exhibits antifungal activity along with antimicrobial activity.
近几十年来,有机化学、物理和药理学领域的许多研究人员都致力于寻找具有明显抗菌活性,特别是抗真菌活性的新药。这是由于许多细菌菌株和真菌对医疗实践中可用的抗生素和抗真菌药物的耐药性普遍增加。在这方面,科学文献中与从最多样化的有机衍生物合成新的潜在抗生素相关的工作数量正在增加,这些有机衍生物要么包含已知的药效团,要么代表具有未知和未探索活性的新结构类化合物。在这项工作中,在生理活性异烟酸和水杨酸氢氧化物和实验室可用的乙酰取代杂环的基础上,获得了新的先前未描述的腙衍生物,即3-乙酰基- 2h -2- 1 - 3,2 -乙酰基- 3h -苯并[f] -3- 1 - 4和2,6-甲烷苯并[g][1,3,5]恶二唑辛5。所得腙的结构经IR和1H、13C核磁共振谱数据证实。对合成的6个新酰胺对革兰氏阳性菌金黄色葡萄球菌209P、革兰氏阴性菌carotovorum Pectobacterium VKM-B1247和酵母样真菌白色念珠菌ATCC 10231的抑菌活性进行了生物筛选。筛选得到3个具有抗菌活性的化合物和1个有前景的化合物(E)-2-羟基- n ' -(1-(2-氧-3-基)乙基)苯并肼9,该化合物在抗菌活性的同时也具有抗真菌活性。
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引用次数: 0
Synthesis and Investigation of the Properties of Polymer-immobilized Silver- and Gold Nanoparticles 聚合物固定化银、金纳米颗粒的合成及性能研究
Pub Date : 2022-01-01 DOI: 10.31489/2022ch3/3-22-6
M. Burkeyev, S. R. Shibayeva, T. Khamitova, J. Plocek, M. Nurmaganbetova, A. Kazhmuratova, T. Zhumagalieva
Metal–polymer composites (MPC) based on copolymers of polypropylene glycol maleate phthalate with acrylic acid and metallic gold and silver were synthesized for the first time. The structure of nanocomposites is characterized with the help of microscopy and spectroscopy. Antimicrobial activity of novel metal-polymeric complexes on the basis of silver and gold was studied. Metal-polymeric complexes were stabilized for the first time with polymeric matrix based on the copolymers of polypropyleneglycolmaleatephthalate with acrylic acid (p-PGMPh/AA:Ag, p-PGMPh/AA:Au). Obtained nanocomposites contain the nanoparticles of silver and gold of rhomboidal and cylindrical shapes with the sizes of 40–50 and 35–50 nm corresponding-ly. The size of more than 80 % of the nanoparticles are from 20 to 50 nm and has a spherical and rhombic shape. For determination of antimicrobial activity of the MPC the reference test-microorganisms such as fac-ultative-anaerobe gram-positive Staphylococcus aureus, aerobic gram-positive spore-forming Bacillus subtilis, gram-negative facultative anaerobe of Escheriсhia coli, aerobic Pseudomonas aeruginosa and yeast fungi Сandida albicans have been used. The resulting nanocomposites are stable and promising for the crea-tion of new photochromic and nonlinear optical materials, as well as for using in medicine in the development of antiseptic and antimicrobial materials that are needed during a pandemic.
首次合成了以邻苯二甲酸丙二醇酯与丙烯酸和金属金、银共聚物为基料的金属聚合物复合材料(MPC)。利用显微镜和光谱学对纳米复合材料的结构进行了表征。研究了新型金、银金属聚合物配合物的抗菌活性。首次在聚丙烯-邻苯二甲酸乙二醇酯与丙烯酸共聚物(p-PGMPh/AA:Ag, p-PGMPh/AA:Au)的聚合物基体上稳定了金属-聚合物配合物。制备的纳米复合材料含有菱形和圆柱形的银纳米粒子,尺寸分别为40 ~ 50 nm和35 ~ 50 nm。80%以上的纳米颗粒的尺寸在20 ~ 50纳米之间,具有球形和菱形的形状。为了测定MPC的抗菌活性,参考试验-微生物,如革兰氏阳性兼性厌氧金黄色葡萄球菌,好氧革兰氏阳性芽孢形成枯草芽孢杆菌,革兰氏阴性兼性厌氧大肠杆菌,好氧铜绿假单胞菌和酵母真菌Сandida白色念珠菌已被使用。由此产生的纳米复合材料是稳定的,有望用于制造新的光致变色和非线性光学材料,以及在医学上用于开发大流行期间所需的防腐和抗菌材料。
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引用次数: 0
Influence of the RAFT Agent on the Reaction Direction of the Copolymerization of Polypropylene Glycol Maleate with Acrylic Acid RAFT剂对马来酸丙二醇与丙烯酸共聚反应方向的影响
Pub Date : 2022-01-01 DOI: 10.31489/2022ch3/3-22-10
A. Kazhmuratova, M. Zhunissova, J. Plocek, V. Fomin, A. Sarsenbekova, T. Khamitova
This work demonstrates the capability of synthesizing new polymers on the basis of unsaturated polyester and acrylic acid in the presence of a chain-transfer agent in a dioxane solution. The initial unsaturated polyester resin was derived from the polycondensation reaction of alcohol and maleic anhydride. The molecular weight of the polypropylene glycol maleate was determined by gel permeation chromatography. The dependence of the structure, network density and product yield on the concentration of the RAFT agent was proven. It was found that the greater the amount of chain-transfer agent in the monomer mixture, the lower the yield of the crosslinked polymer and the greater the yield of the branched copolymer. The composition of the studied co-polymers was determined by FTIR spectroscopy in conjunction with the chemometric method of partial list squares in the R environment. The synthesized objects were characterized by infrared spectroscopy methods and were approximated by Gaussian contours. The results of this study show that the RAFT agent concentra-tion as well as the initial ratio of monomers in the copolymer affect the products yield. The surface topogra-phy of the studied copolymers was recorded by scanning electron microscopy. The molecular chain structure of the branched copolymers was confirmed by NMR spectroscopy.
这项工作证明了在二氧六环溶液中链转移剂存在的情况下,以不饱和聚酯和丙烯酸为基础合成新聚合物的能力。最初的不饱和聚酯树脂是由醇和马来酸酐缩聚反应得到的。用凝胶渗透色谱法测定了马来酸聚丙烯乙二醇的分子量。实验证明了RAFT试剂的浓度对结构、网络密度和产物收率的影响。结果表明,单体混合物中链转移剂的用量越大,交联聚合物的收率越低,支链共聚物的收率越高。在R环境下,用FTIR光谱结合部分表平方化学计量法测定了共聚物的组成。利用红外光谱方法对合成物进行了表征,并用高斯轮廓线进行了近似。研究结果表明,RAFT剂的浓度和共聚物中单体的初始比例对产物收率有影响。用扫描电镜记录了所研究共聚物的表面形貌。支链共聚物的分子链结构经核磁共振确证。
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引用次数: 0
Encapsulation of Isoniazid in Polylactide-Co-Glycolide Nanoparticles by Nanoprecipitation 用纳米沉淀法包封异烟肼
Pub Date : 2022-01-01 DOI: 10.31489/2022ch3/3-22-17
A. Galiyeva, Y. Tazhbayev, T. Zhumagaliyeva, A.Т. Daribay
The use of polymeric materials as drug carriers has several advantages, such as prolongation of drug action, reduction of drug side effects. In this study, we have considered the methods for the preparation of polylac-tide-co-glycolide (PLGA) polymeric nanoparticles with the anti-tuberculosis drug (ATD) isoniazid by nano-precipitation. Polymeric nanocarriers were obtained by varying individual parameters such as nature of sol-vent and non-solvent, drug/polymer ratio, and stabilizer concentration. It was determined that the average par-ticle size depends on the type of non-solvent. When alcohols were used, the average size increased in the se-quence: ethanol < isopropanol < isobutanol. The type of solvent is an important factor for the formation of nanoparticles and their final characteristics. With an increase in the drug/polymer ratio, the average size of nanoparticles also increased. The size of obtained nanoparticles varied from 93 to 869 nm. Thermogravi-metric and differential scanning calorimetry analyses were carried out to confirm the incorporation of the drug into the polymer matrix. In addition, polymer degradation and the degree of release of isoniazid from the polymeric matrix at different pH were studied. It has been shown that the nanoprecipitation method can be used not only for hydrophobic, but also for hydrophilic drugs.
高分子材料作为药物载体具有延长药物作用时间、减少药物副作用等优点。在这项研究中,我们考虑了用纳米沉淀法制备抗结核药物(ATD)异烟肼的聚乳酸-羟基乙酸酯(PLGA)聚合物纳米颗粒的方法。通过改变溶剂-非溶剂性质、药/聚合物比和稳定剂浓度等参数,获得了高分子纳米载体。确定了平均粒径取决于非溶剂的类型。当使用醇时,平均尺寸依次增大:乙醇<异丙醇<异丁醇。溶剂类型是决定纳米颗粒形成及其最终特性的重要因素。随着药物/聚合物比的增加,纳米颗粒的平均尺寸也增加。所得纳米颗粒的大小从93 ~ 869 nm不等。热重法和差示扫描量热法分析证实了药物与聚合物基质的结合。此外,还研究了聚合物在不同pH下的降解及异烟肼从聚合物基质中释放的程度。研究表明,纳米沉淀法不仅可用于疏水药物,也可用于亲水药物。
{"title":"Encapsulation of Isoniazid in Polylactide-Co-Glycolide Nanoparticles by Nanoprecipitation","authors":"A. Galiyeva, Y. Tazhbayev, T. Zhumagaliyeva, A.Т. Daribay","doi":"10.31489/2022ch3/3-22-17","DOIUrl":"https://doi.org/10.31489/2022ch3/3-22-17","url":null,"abstract":"The use of polymeric materials as drug carriers has several advantages, such as prolongation of drug action, reduction of drug side effects. In this study, we have considered the methods for the preparation of polylac-tide-co-glycolide (PLGA) polymeric nanoparticles with the anti-tuberculosis drug (ATD) isoniazid by nano-precipitation. Polymeric nanocarriers were obtained by varying individual parameters such as nature of sol-vent and non-solvent, drug/polymer ratio, and stabilizer concentration. It was determined that the average par-ticle size depends on the type of non-solvent. When alcohols were used, the average size increased in the se-quence: ethanol < isopropanol < isobutanol. The type of solvent is an important factor for the formation of nanoparticles and their final characteristics. With an increase in the drug/polymer ratio, the average size of nanoparticles also increased. The size of obtained nanoparticles varied from 93 to 869 nm. Thermogravi-metric and differential scanning calorimetry analyses were carried out to confirm the incorporation of the drug into the polymer matrix. In addition, polymer degradation and the degree of release of isoniazid from the polymeric matrix at different pH were studied. It has been shown that the nanoprecipitation method can be used not only for hydrophobic, but also for hydrophilic drugs.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82857844","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}
引用次数: 0
Temperature and Salt Responsivity of Anionic, Cationic and Amphoteric Nanogels Based on N-Isopropylacrylamide, 2-Acrylamido-2-Methyl-1-Propanesulfonic Acid Sodium Salt and (3-Acrylamidopropyl) Trimethylammonium Chloride 基于n -异丙基丙烯酰胺、2-丙烯酰胺-2-甲基-1-丙磺酸钠盐和(3-丙烯酰胺丙基)三甲氯化铵的阴离子、阳离子和两性纳米凝胶的温度和盐响应性
Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-15
Aigerim Ayazbayeva, A. Shakhvorostov, S. Kudaibergenov
Three different nanogels possessing anionic, cationic and amphoteric character were synthesized via conven-tional redox initiated free radical copolymerization of N-isopropylacrylamide (NIPAM), 2-acrylamido-2-methyl-1-propanesulfonic acid sodium salt (AMPS) and (3-acrylamidopropyl) trimethylammonium chloride (APTAC). The negatively charged [NIPAM]:[AMPS] = 90:10 mol.%, positively charged [NIPAM]:[APTAC] = = 90:10 mol.%, and charge-balanced amphoteric nanogels [NIPAM]:[APTAC]:[AMPS] = 90:5:5 mol.% ab-breviated as NIPAM90-AMPS10, NIPAM90-APTAC10, and NIPAM90-APTAC5-AMPS5, respectively, were characterized by FTIR spectroscopy, TGA, UV-Vis spectroscopy and DLS measurements. The temperature and salt responsive properties of nanogels in aqueous and aqueous-salt solutions were studied in the tempera-ture range of 25–60 °C and ionic strength (μ) of 0.001–1.0 M NaCl. Anionic NIPAM90-AMPS10 and cationic NIPAM90-APTAC10 nanogels, exhibit a pronounced polyelectrolyte effect in aqueous-salt solution due to screening of the negative or positive charges by low-molecular-weight salt. Whereas the charge-balanced amphoteric nanogel NIPAM90-APTAC5-AMPS5 exhibits an antipolyelectrolyte effect due to the screening of electrostatic attraction between opposite charges by low-molecular-weight salt. The difference between the temperature-dependent behaviors of anionic, cationic and amphoteric nanogels is explained by shrinking (polyelectrolyte effect) and expanding (antipolyelectrolyte effect) of macromolecular chains in aqueous-salt solutions.
以n-异丙基丙烯酰胺(NIPAM)、2-丙烯酰胺-2-甲基-1-丙磺酸钠盐(AMPS)和(3-丙烯酰胺丙基)三甲基氯化铵(APTAC)为原料,采用氧化还原引发自由基共聚法制备了阴离子、阳离子和两性三种不同性质的纳米凝胶。采用FTIR、TGA、UV-Vis、DLS等方法对带负电荷的[NIPAM]:[AMPS] = 90:10 mol.%、带正电荷的[NIPAM]:[APTAC] = 90:5:5 mol.%、电荷平衡的两性纳米凝胶[NIPAM]:[APTAC] = 90:5:5 mol.%进行了表征。研究了纳米凝胶在25 ~ 60℃、离子强度(μ)为0.001 ~ 1.0 M NaCl的水溶液和水-盐溶液中的温度和盐响应特性。阴离子型NIPAM90-AMPS10和阳离子型NIPAM90-APTAC10纳米凝胶在水-盐溶液中表现出明显的聚电解质效应,这是由于低分子量盐对负电荷或正电荷的筛选。而电荷平衡的两性纳米凝胶NIPAM90-APTAC5-AMPS5则表现出抗聚电解质的作用,这是由于低分子量盐屏蔽了相反电荷之间的静电吸引。阴离子纳米凝胶、阳离子纳米凝胶和两性纳米凝胶在温度依赖性行为上的差异可以通过水-盐溶液中大分子链的收缩(聚电解质效应)和膨胀(反聚电解质效应)来解释。
{"title":"Temperature and Salt Responsivity of Anionic, Cationic and Amphoteric Nanogels Based on N-Isopropylacrylamide, 2-Acrylamido-2-Methyl-1-Propanesulfonic Acid Sodium Salt and (3-Acrylamidopropyl) Trimethylammonium Chloride","authors":"Aigerim Ayazbayeva, A. Shakhvorostov, S. Kudaibergenov","doi":"10.31489/2022ch4/4-22-15","DOIUrl":"https://doi.org/10.31489/2022ch4/4-22-15","url":null,"abstract":"Three different nanogels possessing anionic, cationic and amphoteric character were synthesized via conven-tional redox initiated free radical copolymerization of N-isopropylacrylamide (NIPAM), 2-acrylamido-2-methyl-1-propanesulfonic acid sodium salt (AMPS) and (3-acrylamidopropyl) trimethylammonium chloride (APTAC). The negatively charged [NIPAM]:[AMPS] = 90:10 mol.%, positively charged [NIPAM]:[APTAC] = = 90:10 mol.%, and charge-balanced amphoteric nanogels [NIPAM]:[APTAC]:[AMPS] = 90:5:5 mol.% ab-breviated as NIPAM90-AMPS10, NIPAM90-APTAC10, and NIPAM90-APTAC5-AMPS5, respectively, were characterized by FTIR spectroscopy, TGA, UV-Vis spectroscopy and DLS measurements. The temperature and salt responsive properties of nanogels in aqueous and aqueous-salt solutions were studied in the tempera-ture range of 25–60 °C and ionic strength (μ) of 0.001–1.0 M NaCl. Anionic NIPAM90-AMPS10 and cationic NIPAM90-APTAC10 nanogels, exhibit a pronounced polyelectrolyte effect in aqueous-salt solution due to screening of the negative or positive charges by low-molecular-weight salt. Whereas the charge-balanced amphoteric nanogel NIPAM90-APTAC5-AMPS5 exhibits an antipolyelectrolyte effect due to the screening of electrostatic attraction between opposite charges by low-molecular-weight salt. The difference between the temperature-dependent behaviors of anionic, cationic and amphoteric nanogels is explained by shrinking (polyelectrolyte effect) and expanding (antipolyelectrolyte effect) of macromolecular chains in aqueous-salt solutions.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82985216","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}
引用次数: 0
Novel Titanium-Manganites of Lanthanum and Alkali Metals 镧和碱金属的新型钛锰酸盐
Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-6
B. K. Kasenov, Sh. B. Kasenova, Zh. I. Sagintaeva, S. Baisanov, Ning Lu, E. E. Kuanyshbekov, M. Turtubaeva, M. Isabaeva
The titanium-manganites of LaMeI2TiMnO6 (MeI — Li, Na, K) have been synthesized by the ceramic tech-nology with the high-temperature reaction of oxides of La2O3, TiO2, Mn2O3 with carbonates of Li2CO3, Na2CO3, K2CO3 within 800–1200 ºС. The X-ray diffraction methods demonstrated that all of them have been crystallized in the cubic syngony with the lattice parameters such as LaLi2TiMnO6 — а = 13.480.02 Å, Vo = 2449.460.06 Å3, Z = 4, Voel.cell = 612.870.02 Å3, roent. = 3.81; pick. = 3.780.03 g/cm3; LaNa2TiMnO6 — а = 14.060.02 Å, Vo = 2779.430,06 Å3, Z = 4, Voel.cell = 694.960.02 Å3, roent. = 3.67; pick. = 3.650.01 g/cm3; LaK2TiMnO6 — а = 14.740.02 Å, Vo = 3202.520.06 Å3, Z = 4, Voel.cell = 800.520.02 Å3, roent. = 3.45;  pick. = 3.430.01 g/cm3. Correctness and authenticity of the results on the indexing of X-ray photographs of titanium-manganite have been confirmed with the good experimental and calculated values (104/d2), the pycnometric and X-ray densities, and also the theoretical and experimental values of cell volumes. The rising of values of the lattice parameters of the synthesized titanium-manganites has been determined with increas-ing in the ionic radii from Li to K.
采用陶瓷工艺,在800 ~ 1200℃的温度下,将La2O3、TiO2、Mn2O3氧化物与Li2CO3、Na2CO3、K2CO3碳酸盐进行高温反应,合成了LaMeI2TiMnO6 (MeI - Li, Na, K)钛锰酸盐。x射线衍射方法表明,它们均以立方同步方式结晶,晶格参数为LaLi2TiMnO6 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - = 13.480.02 Å, Vo = 2449.460.06 Å3, Z = 4, Voel。Cell = 612.870.02 Å3,rent。= 3.81;选择。= 3.780.03 g/cm3;LaNa2TiMnO6 - Z = 14.060.02 Å, Vo = 2779.430,06 Å3, Z = 4, Voel。Cell = 694.960.02 Å3,rent。= 3.67;选择。= 3.650.01 g/cm3;LaK2TiMnO6 - Z = 14.740.02 Å, Vo = 3202.520.06 Å3, Z = 4, Voel。Cell = 800.520.02 Å3,rent。= 3.45;选择。= 3.430.01 g/cm3。通过良好的实验值和计算值(104/d2)、光度和x射线密度以及细胞体积的理论和实验值,证实了钛-锰矿x射线照片标引结果的正确性和真实性。从Li到K的离子半径的增加决定了合成钛锰的晶格参数值的上升。
{"title":"Novel Titanium-Manganites of Lanthanum and Alkali Metals","authors":"B. K. Kasenov, Sh. B. Kasenova, Zh. I. Sagintaeva, S. Baisanov, Ning Lu, E. E. Kuanyshbekov, M. Turtubaeva, M. Isabaeva","doi":"10.31489/2022ch4/4-22-6","DOIUrl":"https://doi.org/10.31489/2022ch4/4-22-6","url":null,"abstract":"The titanium-manganites of LaMeI2TiMnO6 (MeI — Li, Na, K) have been synthesized by the ceramic tech-nology with the high-temperature reaction of oxides of La2O3, TiO2, Mn2O3 with carbonates of Li2CO3, Na2CO3, K2CO3 within 800–1200 ºС. The X-ray diffraction methods demonstrated that all of them have been crystallized in the cubic syngony with the lattice parameters such as LaLi2TiMnO6 — а = 13.480.02 Å, Vo = 2449.460.06 Å3, Z = 4, Voel.cell = 612.870.02 Å3, roent. = 3.81; pick. = 3.780.03 g/cm3; LaNa2TiMnO6 — а = 14.060.02 Å, Vo = 2779.430,06 Å3, Z = 4, Voel.cell = 694.960.02 Å3, roent. = 3.67; pick. = 3.650.01 g/cm3; LaK2TiMnO6 — а = 14.740.02 Å, Vo = 3202.520.06 Å3, Z = 4, Voel.cell = 800.520.02 Å3, roent. = 3.45;  pick. = 3.430.01 g/cm3. Correctness and authenticity of the results on the indexing of X-ray photographs of titanium-manganite have been confirmed with the good experimental and calculated values (104/d2), the pycnometric and X-ray densities, and also the theoretical and experimental values of cell volumes. The rising of values of the lattice parameters of the synthesized titanium-manganites has been determined with increas-ing in the ionic radii from Li to K.","PeriodicalId":9421,"journal":{"name":"Bulletin of the Karaganda University. \"Chemistry\" series","volume":"3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82404521","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}
引用次数: 1
DFT Study of Chitosan Ascorbate Nanoparticles Structure 壳聚糖抗坏血酸纳米颗粒结构的DFT研究
Pub Date : 2022-01-01 DOI: 10.31489/2022ch3/3-22-3
I. Nurgaliev
In recent years, use of chitosan (CS) nanoparticles as nanocarriers has received much attention due to their biodegradability, biocompatibility and non-toxicity. CS nanoparticles containing drugs, flavors, enzymes and antimicrobial agents can maintain their activity. Such nanoparticles can stimulate the stabilization of ascorbic acid (AA) and improve controlled release. This study investigates the interaction of CS monomer with AA and sodium tripolyphosphate (TPP) using density functional theory (DFT) during the formation of chitosan ascorbate (CA) nanostructure (CAN). On the basis of existing results, the formation of the CS monomer from the complexes occurs due to the donor-acceptor interaction, which is energetically favorable in all considered interactions according to the calculations. At close range, proton transfer has been identified with interaction energies, namely CS-AА (-6.82 kcal/mol), CS-TPP (-4.56 kcal/mol) in the aqueous phase, which indicates that in the process of CAN formation, in most cases, the formation of a donor-acceptor bond occurs between the amino groups of CS with the enol group of AA and the relative coordination of CS with TPP. The introduction of the aqueous phase led to a drop in the interaction energy. On the basis of our results for the linking types (interaction energies), we propose a simple mechanism for their impact on the CAN formation process.
近年来,壳聚糖纳米颗粒以其可生物降解性、生物相容性和无毒性等优点作为纳米载体受到广泛关注。含有药物、香料、酶和抗菌剂的CS纳米颗粒可以保持其活性。这种纳米颗粒可以促进抗坏血酸(AA)的稳定并改善控释。利用密度泛函理论(DFT)研究了壳聚糖抗坏血酸(CA)纳米结构(CAN)形成过程中CS单体与AA和三聚磷酸钠(TPP)的相互作用。根据现有的结果,CS单体的形成是由于供体-受体相互作用,根据计算,在所有考虑的相互作用中,这在能量上是有利的。近距离通过相互作用能(CS-AА (-6.82 kcal/mol)、CS-TPP (-4.56 kcal/mol)确定了质子转移,表明在CAN形成过程中,大多数情况下,CS与AA的烯醇基之间的氨基和CS与TPP的相对配位之间形成了给受体键。水相的引入导致了相互作用能的下降。基于我们对连接类型(相互作用能)的研究结果,我们提出了一个简单的机制来解释它们对CAN形成过程的影响。
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引用次数: 0
Prospective Hybrid Molecules with Dual Anti-Viral and Anti-Thrombotic Activity Against the SARS- CoV-2 Infection and Its Associated Complications Employing in Silico Studies 具有抗SARS- CoV-2感染及其相关并发症双重抗病毒和抗血栓活性的前瞻性杂交分子在计算机研究中的应用
Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-8
R. Bhimanwar, A. Thomas, L. Kothapalli, A. Godse, S. Gandhi, S. Chandani, G. More, G. Jadhav, S. Choudhary
Covid-19, a SARS-CoV virus-based disease, was identified in Wuhan, China, in December 2019. Initially, it was considered just an infection of the respiratory system, but due to its transmittable nature, it was declared a pandemic. A variety of treatment options were implemented, including antivirals like remdesvir, favipiravir along with vitamins and antioxidants. Further investigations revealed that the Covid-19 infection results in thrombotic cardiovascular complications, which are the major concern for the increased mortality associated with this disease. This study investigates the in Silico design of hybrid molecules with antiviral and an-tithrombotic properties. A docking study was performed using Autodock Vina software, and binding energies of the designed compounds were determined for papain-like protease (PDB: 3E9S) and 3-chymotrypsin-like cysteine protease (PDB: 6LU7). The docked poses and amino acids interactions were verified using Biovia Discovery studio 4.5. The binding energies of all designed compounds were compared with the standards, Compound RL1 (2-(5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-carbonyl)amino)(hydroxy)methyl)carbamoyl)phenyl acetate) and Compound FL2 (8-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-6-yl(2-(6-flouro-3-oxo-3,4-dihydropyrazine-2-carboxamido)-1-hydroxy-3-phenylpropyl)carbamate) proved to be promising agents with strong binding interactions. Hybrid molecules that inhibit viral replication, possibly as transition state inhibitors, may be investigated further for use in the treatment of SARS-Co-V infection and its associated complications.
2019年12月,一种基于sars冠状病毒的疾病Covid-19在中国武汉被发现。最初,它被认为只是一种呼吸系统感染,但由于其传染性,它被宣布为大流行。实施了多种治疗方案,包括抗病毒药物,如remdesvir, favipiravir以及维生素和抗氧化剂。进一步的调查显示,Covid-19感染导致血栓性心血管并发症,这是与该疾病相关的死亡率增加的主要问题。本研究探讨了具有抗病毒和抗血栓特性的杂化分子的硅设计。利用Autodock Vina软件进行对接研究,测定所设计化合物对木瓜蛋白酶样蛋白酶(PDB: 3E9S)和3-凝乳胰蛋白酶样半胱氨酸蛋白酶(PDB: 6LU7)的结合能。对接姿势和氨基酸相互作用使用Biovia Discovery studio 4.5进行验证。通过与标准化合物的结合能比较,发现化合物RL1(2-(5-(3-氨基甲酰基- 1h -1,2,4-三唑-1-基)-3,4-二羟基四氢呋喃-2-基)甲氧基-羰基)氨基)(羟基)甲基)氨基甲氧基)苯乙酸酯)和化合物FL2(8-羟基-2-(3-羟基-4-甲氧基苯基)-4-氧基-6-基(2-(6-氟-3-氧-3,4-二氢吡嗪-2-羧胺)-1-羟基-3-苯丙基)氨基甲酸酯)具有较强的结合作用。抑制病毒复制的杂交分子,可能作为过渡状态抑制剂,可以进一步研究用于治疗SARS-Co-V感染及其相关并发症。
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引用次数: 0
Electrochemical Method for Producing a TiO2 Film with Photocatalytic Properties 制备具有光催化性能的TiO2薄膜的电化学方法
Pub Date : 2022-01-01 DOI: 10.31489/2022ch4/4-22-10
A. Bayeshov, A. Kadirbayeva, A. Bayeshova, A. Zharmenov
The purpose of this work is to study the production process of titanium dioxide during anode polarization in sulfuric acid and hydrochloric acid solutions. The studies were carried out by recording cyclic voltammogram and by measuring the titanium oxidation current with a change in the voltage between the electrodes. It has been established that with a change in the concentration of sulfuric acid in the range of 50–250 g/l and the voltage between the electrodes in the range of 0–25 V, the magnitude of the titanium oxidation current in-creases and reaches 29.4 mA. With an increase in the concentration of hydrochloric acid from 35 to 100 g/l and a change in the voltage between the electrodes, the titanium oxidation rate increases evenly, but in the voltage range of 10–12 V, a sharp increase in the current magnitude up to 360 mA is observed. A change in the oxidation current indicates an increase in the rate of titanium dissolution. With an increase in the duration of electrolysis, the magnitude of the anode current generally decreases. In all probability, at a voltage of 14 V and higher, a breakdown of the oxide semiconductor film of titanium dioxide is observed in the hydrochloric acid solution. In this regard, a noticeable dissolution of titanium occurs and, subsequently, an oxide film is not produced, but titanium ions are produced. Visual observations have shown that titanium passes into solu-tion in the form of titanium (IV).
研究了在硫酸和盐酸溶液中阳极极化制备二氧化钛的过程。通过记录循环伏安图和测量钛氧化电流随电极间电压的变化进行了研究。结果表明,随着硫酸浓度在50 ~ 250 g/l范围内的变化和电极间电压在0 ~ 25 V范围内的变化,钛氧化电流的量级增大,达到29.4 mA。随着盐酸浓度从35 g/l增加到100 g/l,以及电极间电压的变化,钛的氧化速率均匀增加,但在10-12 V电压范围内,钛的氧化电流急剧增加,最高可达360 mA。氧化电流的变化表明钛溶解速率的增加。随着电解时间的延长,阳极电流的大小通常减小。在14v或更高的电压下,很可能在盐酸溶液中观察到二氧化钛的氧化物半导体膜的击穿。在这方面,发生明显的钛溶解,随后不产生氧化膜,但产生钛离子。目视观察表明,钛以钛(IV)的形式进入溶液。
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引用次数: 0
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Bulletin of the Karaganda University. "Chemistry" series
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