Chemical Journal of Kazakhstan最新文献_第8页

DFT STUDIES OF STRUCTURAL PARAMETERS, VIBRATIONAL FREQUENCIES AND NMR SPECTRA OF 3-(1H-BENZO[D]IMIDAZOL-1-YL)-N'-(TOSYLOXY)PROPANIMIDAMIDE 3-(1h -苯并[d]咪唑-1-基)- n′-(tosyloxy)咪唑酰胺结构参数、振动频率和核磁共振谱的DFT研究

Chemical Journal of Kazakhstan Pub Date : 2021-12-15 DOI: 10.51580/2021-1/2710-1185.46

E. Yergaliyeva, L. Kayukova, A. Vologzhanina, G. Baitursynova, V. Vazhev

{"title":"DFT STUDIES OF STRUCTURAL PARAMETERS, VIBRATIONAL FREQUENCIES AND NMR SPECTRA OF 3-(1H-BENZO[D]IMIDAZOL-1-YL)-N'-(TOSYLOXY)PROPANIMIDAMIDE","authors":"E. Yergaliyeva, L. Kayukova, A. Vologzhanina, G. Baitursynova, V. Vazhev","doi":"10.51580/2021-1/2710-1185.46","DOIUrl":"https://doi.org/10.51580/2021-1/2710-1185.46","url":null,"abstract":"Amidoxime derivatives have practically valuable biological properties. We have previously obtained new spiropyrazolinium compounds by arylsulfo-chlorination of β-aminopropioamidoximes, but in case of β-(benzimidazol-1-yl)pro-pioamidoxime we have obtained O-substitution product – 3-(1H-benzo[d]imidazol-1-yl)-N'-(tosyloxy)pro-panimidamide. The aim of the work is predicting of structural parameters (bond lengths, bond angles), vibrational frequencies and NMR spectra of 3-(1H-benzo-[d]imidazol-1-yl)-N'-(tosyloxy)propanimidamide. The calculations were performed using Gaussian 09 package. Structural parameters and vibrational frequencies was calculated using DFT (B3LYP/B3PW91/WB97XD)/6-31G(d,p). 1H and 13C NMR was predicted using DFT B3LYP/6-31G(d,p)-GIAO in DMSO. All calculated values are in good agreement with experimental data. The calculated bond lengths and bond angles were compared with results of X-ray structural analysis. The best correlation coefficient was 0.981 (calcu-lations with B3LYP level). For bond angles, the best result was obtained with B3LYP level (0.990). For vibrational frequencies correlation coefficients between the calculated and experimental values were 0.997 (B3LYP), 0.996 (B3PW91) and 0.995 (WB97XD). The most accurate method was used for predic-ting NMR spectrum. The correlation coefficients between the experimental and calculated 1H and 13C chemical shifts were 0.949 and 0.999 respectively.","PeriodicalId":9856,"journal":{"name":"Chemical Journal of Kazakhstan","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74984487","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

INFLUENCE OF THE RATE OF IRON HEXATIANOFERRATE ON ITS SORPTION ABILITY IN RELATION TO SILVER, INDIUM AND GALLIUM CATIONS 六铁铁的速率对银、铟、镓阳离子吸附能力的影响

Chemical Journal of Kazakhstan Pub Date : 2021-12-15 DOI: 10.51580/2021-1/2710-1185.45

А.А. Agatayeva, U. Jussipbekov, R. Chernyakova, R. Kaiynbayeva, N. Kozhabekova, А.М. Nabiyeva

{"title":"INFLUENCE OF THE RATE OF IRON HEXATIANOFERRATE ON ITS SORPTION ABILITY IN RELATION TO SILVER, INDIUM AND GALLIUM CATIONS","authors":"А.А. Agatayeva, U. Jussipbekov, R. Chernyakova, R. Kaiynbayeva, N. Kozhabekova, А.М. Nabiyeva","doi":"10.51580/2021-1/2710-1185.45","DOIUrl":"https://doi.org/10.51580/2021-1/2710-1185.45","url":null,"abstract":"The processing of phosphorites into elemental phosphorus is accom-panied by the formation of waste - cotrile \"milk\", in which indium, gallium, and silver are present. This waste can be considered as a cheap raw material for the production of rare and precious metals. In the scientific literature there are data on the sorption capacity of hexacyano-ferrates of iron, which has a crystal lattice with a channel diameter from 3.0 to 3.5Å. Investigation of the sorption process in the model system \"Fe4[Fe(CN)6]3·10H2O - Ag+- In3+- Ga3+ - H2O\" depending on the norm of iron hexacyanoferrate (sorbent). The initial concentration of silver, indium and gallium ions and their residual content in solutions were determined using the atomic absorption spectrophotometer \"PerkinElmer Analyst 400\" (USA). The microstructure of the initial iron hexacyanoferrate and iron hexacyano-ferrate, after sorption, was studied on the CarlZeissFESEM and JEOL brand \"JXA-8230\" (Japan). With a ratio to T:W equal to 1.75-2.5:100, the degree of sorption of Ag+ with iron hexacyanoferrate is 99.5 and 99.8 %. The highest degree of sorption (96.75%) of In3+ ions can be obtained with a sorbent weighing 3 g per 100 g of solution at 60oC. A high degree of sorption of Ga3+ cations is achieved at low (0.5:100 wt. h.) and high (3:100 wt. h.) consumption of iron hexacyanoferrate. It was revealed that iron hexacyanoferrate exhibits sorption properties simultaneously with respect to mono- and trivalent metals, and the basic laws of their sorption were established.","PeriodicalId":9856,"journal":{"name":"Chemical Journal of Kazakhstan","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83779415","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

STUDY OF THE PROCESS OF OXIDATIVE DESULFURIZATION OF DIESEL FUEL IN THE PRESENCE OF CO-CATALYSTS 助催化剂作用下柴油氧化脱硫过程的研究

Chemical Journal of Kazakhstan Pub Date : 2021-12-15 DOI: 10.51580/2021-1/2710-1185.51

D. Muktaly, Z. Myltykbaeva, M. Smaiyl

{"title":"STUDY OF THE PROCESS OF OXIDATIVE DESULFURIZATION OF DIESEL FUEL IN THE PRESENCE OF CO-CATALYSTS","authors":"D. Muktaly, Z. Myltykbaeva, M. Smaiyl","doi":"10.51580/2021-1/2710-1185.51","DOIUrl":"https://doi.org/10.51580/2021-1/2710-1185.51","url":null,"abstract":"Continuous growth in consumption of oil in the world, as well as ever-increasing quality requirements stimulate the search for new scientific and technological solutions to directionally affect the characteristics of petroleum products, including their chemical composition. The advantages of oxidative desulfurization before hydrotreating are the absence of the need to use hydrogen, as well as small capital and energy costs, since the method does not require high temperatures and pressures. The purpose of this work was to study the oxidation process of diesel fuel and to search for the optimal mode of oxidative desulfurization of diesel fuel in the presence of transition metals salts with the addition of mineral acids. The object of the study is a straight-run diesel fraction of the Pavlodar Petrochemical Plant with boiling temperatures of 180-350°C. The oxidation process was carried out with hydrogen peroxide in the presence of salts of the transition metals molybdenum, vanadium and tungsten. The article defined the basic physico-chemical characteristics of straight-run and desulfurized diesel fractions. The optimal catalyst (Na2MoO4) was selected at a molar ratio of metal to sulfur of 1:100 for the oxidation process of straight-run diesel fractions. As a result of oxidative desulfurization of diesel fuel in the presence of sodium molybdenum perox complexes, the total sulfur content decreased by 42.9%, and with the addition of sulfuric acid by 56.5%. An increase in the cetane index from 56.3 to 58.6 was revealed in the presence of sodium molybdate with the addition of sulfuric acid.","PeriodicalId":9856,"journal":{"name":"Chemical Journal of Kazakhstan","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84890275","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

DIVARENT EQUILIBRIUM IN MULTI-COMPONENT SYSTEMS 多组分系统中的微分平衡

Chemical Journal of Kazakhstan Pub Date : 2021-12-15 DOI: 10.51580/2021-1/2710-1185.49

L. Soliev, M. Jumaev

引用次数: 0

STUDY OF BIOLOGICAL ACTIVITY OF RACEMIC AND OPTICALLY ACTIVE ESTERS OF NAPHTHENIC AND FATTY ACIDS BASED ON UNSATURATED OXYESTERS 基于不饱和氧酯的环烷基和脂肪酸外消旋和旋光性酯的生物活性研究

Chemical Journal of Kazakhstan Pub Date : 2021-12-15 DOI: 10.51580/2021-1/2710-1185.48

A. Bagirli

{"title":"STUDY OF BIOLOGICAL ACTIVITY OF RACEMIC AND OPTICALLY ACTIVE ESTERS OF NAPHTHENIC AND FATTY ACIDS BASED ON UNSATURATED OXYESTERS","authors":"A. Bagirli","doi":"10.51580/2021-1/2710-1185.48","DOIUrl":"https://doi.org/10.51580/2021-1/2710-1185.48","url":null,"abstract":"Petrochemical products based on petroleum naphthenic acids have special properties. Esters of naphthenic acids possess practically valuable organic compounds. The aim of this work is the development of effective methods for the preparation of aromatic esters based on naphthenic and individual fatty acids which is a very promising direction in the medicine practice. The synthesis of unsaturated racemic and chiral oxyethers was carried out on the basis of the interaction of chloromethylpropargyl (allyl) esters with carbonyl compounds with the participation of metallic zinc. Also, to study the biological activity, racemic and optically active esters were synthesized based on naphthenic acids and unsaturated racemic and chiral oxyesters. As test cultures used: gram-positive (Staphylo-coccus aureus-Staphylococcus aureus), gram-negative (Pseudomonas aeruginosa – Pseu-domonas aeruginosa, Escherichia coli) bacteria, as well as yeast-like fungi of the genus Candida - Candida albicans. Analysis of the biological activity of the synthesized compounds showed that optically active bicyclo [2.2.1] hept-5-ene-2-methylol monoesters have higher antimicrobial and antifungal activity compared to their racemic analogs and drugs used in medicine.","PeriodicalId":9856,"journal":{"name":"Chemical Journal of Kazakhstan","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74632017","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

CYCLODEXTRIN INCLUSION COMPLEXES OF PHARMACEUTICALLY ACTIVE DERIVATIVES OF THE CYTISINE ALKALOID AND THEIR HEMORHEOLOGICAL ACTIVITY 环糊精包合物中具有药用活性的胱氨酸生物碱衍生物及其血液流变学活性

Chemical Journal of Kazakhstan Pub Date : 2021-12-15 DOI: 10.51580/2021-1/2710-1185.50

G.K. Mukusheva, A.R. Zhasymbekova, Z. Satpaeva, Е.V. Minayeva, Z. Nurmaganbetov, S. T. Shulgau, О. Nurkenov, Т. Seilkhanov

{"title":"CYCLODEXTRIN INCLUSION COMPLEXES OF PHARMACEUTICALLY ACTIVE DERIVATIVES OF THE CYTISINE ALKALOID AND THEIR HEMORHEOLOGICAL ACTIVITY","authors":"G.K. Mukusheva, A.R. Zhasymbekova, Z. Satpaeva, Е.V. Minayeva, Z. Nurmaganbetov, S. T. Shulgau, О. Nurkenov, Т. Seilkhanov","doi":"10.51580/2021-1/2710-1185.50","DOIUrl":"https://doi.org/10.51580/2021-1/2710-1185.50","url":null,"abstract":"The alkaloid cytisine is of great importance for modern pharmacological studies. This alkaloid can be used as a component of the supramolecular system with cyclic oligosaccharides, namely β-cyclodextrins, which have a truncated cone-shaped molecule with internal protons Н3 and Н5 and external ones Н2 and Н4. The aim of the work is to obtain inclusion complexes of pharmaceutically active derivatives of the alkaloid cytisine. The inclusion complexes of cytisine alkaloid derivatives with β-CD and 2-HP-β-CD were obtained by the coprecipitation method. Thermogravimetric, differential thermal, and differential scanning calorimetric analyzes were performed. It was shown that inclusion complexes of substrate with cyclodextrin cavity of receptors were formed. The greatest change in the chemical shifts of protons during the formation of supra-molecular complexes occurs with the internal protons H-3 and H-5 of the cyclodextrin cavity. All calculated values are in good agreement with experimental data. The prepa-ration of supramolecular complexes has been proven using a variety of physicochemical methods of analysis. According to DSC data, the process of complexes destruction in the temperature range of 30-610°C was studied in comparison with the data of the initial cyclodextrin. The hemorheological effects of the investigated samples were studied in vitro. Among four samples studied, two samples showed the ability to reduce blood viscosity in vitro in the blood hyperviscosity model.","PeriodicalId":9856,"journal":{"name":"Chemical Journal of Kazakhstan","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78794898","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

PLANT SUBSTANCES AS POTENTIAL SOURCE OF ORIGINAL ANTI-VIRUS AGENTS 植物物质是原始抗病毒药物的潜在来源

Chemical Journal of Kazakhstan Pub Date : 2021-09-30 DOI: 10.51580/2021-1/2710-1185.41

S. Adekenov, Karaganda Kazakhstan Production Holding “Phytochemistry”

引用次数: 1

MODIFIED WITH VARIOUS ADDITIVES ARYLALYCLIC COPOLYIMIDES AND COMPOSITE FILMS BASED ON THEIR BASIS 用各种添加剂改性芳烃类共聚物和基于它们的复合薄膜

Chemical Journal of Kazakhstan Pub Date : 2021-09-30 DOI: 10.51580/2021-1/2710-1185.36

М.B. Umerzakova, R. Sarieva, V. Kravtsova

{"title":"MODIFIED WITH VARIOUS ADDITIVES ARYLALYCLIC COPOLYIMIDES AND COMPOSITE FILMS BASED ON THEIR BASIS","authors":"М.B. Umerzakova, R. Sarieva, V. Kravtsova","doi":"10.51580/2021-1/2710-1185.36","DOIUrl":"https://doi.org/10.51580/2021-1/2710-1185.36","url":null,"abstract":"lopment of arylalicyclic copolyimides based on alicyclic dianhydride, aromatic dianhydrides of benzophenone- and diphenyloxidetetracarboxylic acids with 4,4'-diaminodiphenyl oxide at various ratios of alicyclic and aromatic dianhydrides, as well as various compositions based on these copolymers with low- or other high-molecular compounds that enhance the characteristics of the polymer matrix. Composite films were formed from solutions of the obtained polymer mixtures, and their properties were studied. It was noted that at optimal ratio of components, the films have improved thermal and strength properties, etc., exceeding the analogous properties of the initial arylalicyclic copolymer, while the elasticity has acceptable values for such material. The best characteristics had the composite films formed from a ternary composition of copo-lyimide-polyethylene glycol-alkylated montmorillonite. Metal-containing composite films, along with higher thermal stability compared to unmodified copolyimide, were resistant to aggressive reagents, lower values of specific volume and surface resistance, higher viscosity values, and different colors depending on the nature of the salt. By introducing a silicon-containing compound into the copolyimide solution, the new polymer systems have been obtained, and the porous films could be formed.","PeriodicalId":9856,"journal":{"name":"Chemical Journal of Kazakhstan","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83083054","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

INFLUENCE OF THE NATURE OF THE MODIFIER ON THE SORPTION PROPERTIES OF SHANKANAI ZEOLITE 改性剂性质对山卡奈沸石吸附性能的影响

Chemical Journal of Kazakhstan Pub Date : 2021-09-30 DOI: 10.51580/2021-1/2710-1185.37

R. Kaiynbayeva, N.N. Kojabekova, G. Sultanbayeva, А.А. Аgatayeva, R. Chernyakova, U. Jussipbekov

引用次数: 0

SYNTHESIS OF 1,2,3-TRIAZOLO-QUINOLIZIDINES BASED ON THE QUINOLIZIDINE ALKALOID LUPININE 以喹啉吡啶类生物碱lupinine为原料合成1,2,3-三唑喹啉吡啶类化合物

Chemical Journal of Kazakhstan Pub Date : 2021-09-30 DOI: 10.51580/2021-1/2710-1185.43

Z. Nurmaganbetov, O.A. Hurkenov, S. Fazylov, G.K. Mukusheva, A. Gazaliyev, Z. Muldakhmetov

{"title":"SYNTHESIS OF 1,2,3-TRIAZOLO-QUINOLIZIDINES BASED ON THE QUINOLIZIDINE ALKALOID LUPININE","authors":"Z. Nurmaganbetov, O.A. Hurkenov, S. Fazylov, G.K. Mukusheva, A. Gazaliyev, Z. Muldakhmetov","doi":"10.51580/2021-1/2710-1185.43","DOIUrl":"https://doi.org/10.51580/2021-1/2710-1185.43","url":null,"abstract":"The modification of the quinolysin alkaloid lupinine was carried out with the intro-duction of 1,2,3-triazolyl substituents for the hydroxymethylene group in the C-1 position of the quinolysin backbone. The reaction of lupinine with methanesulfochloride in the presence of triethylamine smoothly led to lupinine methanesulfonate, whose further reaction with sodium azide in DMFA led to lupinilazide. 1,3-Dipolar [4+2]-cycloaddition of the resulting azide to alkynes produced more stable 1,2,3-triazole compounds. The interaction of lupinilazide with 2-ethinylpyridine and with alcohols containing a terminal acetylene group (propargyl alcohol, 2-methylbut-3-in -2-ol or hex-5-in -1-ol) proceeded smoothly in the DMFA medium. The reactions were carried out in the presence of an aqueous solution of CuSO4 and sodium ascorbate in DMFA and allowed the corresponding 4-substituted (1S,9aR)-1H-1,2,3-triazol-1-yl to be synthesized with good yields)methyl)octahydro-1H-quinolysins. The results of studying the structural features of synthesized compounds by 1H - and 13C - NMR spectroscopy, as well as data from the two-dimensional COSY (1H-1H) and HMQC (1H-13C) spectra are presented. The values of chemical shifts, multiplicity and integral intensity of 1H and 13C signals in one-dimensional NMR spectra are determined. In the spectra of all synthesized new quinolizi-dinotriazoles, there is a peak of the fragmentary C10H17N ion (150-151 cu), corresponding to the cleavage of the molecule by the C-10 atom of the quinolizidine backbone.","PeriodicalId":9856,"journal":{"name":"Chemical Journal of Kazakhstan","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87740257","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