Pub Date : 2021-09-22DOI: 10.33581/2520-257x-2021-2-3-10
S. Voitekhovich, B. Kersting, O. Ivashkevich
The dinuclear nickel(II) complex [Ni2LmClO4] + , where Lm represents a 24-membered macrocyclic hexaaza-dithiophenolate ligand, reacts with 5-(4-pyridyl)tetrazole (PyrCN4H) to give the dinuclear complex [Ni2Lm(PyrCN4)]+ . The new complex was both isolated as perchlorate or tetraphenylborate salts and characterised by elemental analysis and IR spectroscopy. The structure of [Ni2Lm(PyrCN4)]BPh4 ⋅ MeCN was determined by single crystal X-ray diffraction, showing that tetrazolate units are in a N2,N3-bridging mode to generate dioctahedral N3Ni(µ-S)2(µ-N4CPyr)NiN3 core.
{"title":"Synthesis and structure of macrocyclic dinickel(II) complex with 5-(4-pyridyl)tetrazolate as coligand","authors":"S. Voitekhovich, B. Kersting, O. Ivashkevich","doi":"10.33581/2520-257x-2021-2-3-10","DOIUrl":"https://doi.org/10.33581/2520-257x-2021-2-3-10","url":null,"abstract":"The dinuclear nickel(II) complex [Ni2LmClO4] + , where Lm represents a 24-membered macrocyclic hexaaza-dithiophenolate ligand, reacts with 5-(4-pyridyl)tetrazole (PyrCN4H) to give the dinuclear complex [Ni2Lm(PyrCN4)]+ . The new complex was both isolated as perchlorate or tetraphenylborate salts and characterised by elemental analysis and IR spectroscopy. The structure of [Ni2Lm(PyrCN4)]BPh4 ⋅ MeCN was determined by single crystal X-ray diffraction, showing that tetrazolate units are in a N2,N3-bridging mode to generate dioctahedral N3Ni(µ-S)2(µ-N4CPyr)NiN3 core.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84201687","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 : 2021-09-22DOI: 10.33581/2520-257x-2021-2-36-49
D. V. Sapsaliou, G. Melnikova, V. Lapitskaya, Tatyana N. Tolstaya, T. Kuznetsova, D. Kotov, S. Chizhik
Techniques for the formation of thin polymer films based on polymethyl methacrylate and composite coatings with silicon dioxide nanoparticles on glass and silicon substrates have been optimised, and their structural characteristics have been studied by atomic force microscopy. The effect of the introduction of silicon dioxide nanoparticles and their content on the structure and wettability of the formed composite coatings is described. Experimental data are presented which prove that the incorporation of SiO2 nanoparticles into the structure of the polymethyl methacrylate polymer matrix leads to changes in the roughness parameters of the coatings.
{"title":"Thin composite polymethyl methacrylate films with silicon dioxide nanoparticles","authors":"D. V. Sapsaliou, G. Melnikova, V. Lapitskaya, Tatyana N. Tolstaya, T. Kuznetsova, D. Kotov, S. Chizhik","doi":"10.33581/2520-257x-2021-2-36-49","DOIUrl":"https://doi.org/10.33581/2520-257x-2021-2-36-49","url":null,"abstract":"Techniques for the formation of thin polymer films based on polymethyl methacrylate and composite coatings with silicon dioxide nanoparticles on glass and silicon substrates have been optimised, and their structural characteristics have been studied by atomic force microscopy. The effect of the introduction of silicon dioxide nanoparticles and their content on the structure and wettability of the formed composite coatings is described. Experimental data are presented which prove that the incorporation of SiO2 nanoparticles into the structure of the polymethyl methacrylate polymer matrix leads to changes in the roughness parameters of the coatings.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90729955","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 : 2021-09-22DOI: 10.33581/2520-257x-2021-2-25-35
Y. Faletrov, Veronika S. Karpushenkova, Viktoryia A. Zavalinich, P. Yakovets, Anastasia D. Shkredava, V. Shkumatov
Albumin is a globular protein of plasma of mammalian blood participating in transport of hydrophobic metabolites and drugs. Thus, studies devoted to its binding are valuable as a part of evaluation of new potential drugs or fluorescent probes for in vivo usage. Here we describe results concerning synthesis and bovine serum albumin binding assay both in silico (docking) and in vitro (spectrophotometric and spectrofluorimetric titrations) for four new 7-nitrobenzoxadiazol-4-yl (NBD) derivatives of aniline and piperazine. Experimental dissociation constant for NBD-ethynylaniline 4 was calculated to be about 10 µmol/L.
{"title":"Interaction of nitrobenzoxadiazole derivatives of piperazine and aniline with bovine serum albumine in silico and in vitro","authors":"Y. Faletrov, Veronika S. Karpushenkova, Viktoryia A. Zavalinich, P. Yakovets, Anastasia D. Shkredava, V. Shkumatov","doi":"10.33581/2520-257x-2021-2-25-35","DOIUrl":"https://doi.org/10.33581/2520-257x-2021-2-25-35","url":null,"abstract":"Albumin is a globular protein of plasma of mammalian blood participating in transport of hydrophobic metabolites and drugs. Thus, studies devoted to its binding are valuable as a part of evaluation of new potential drugs or fluorescent probes for in vivo usage. Here we describe results concerning synthesis and bovine serum albumin binding assay both in silico (docking) and in vitro (spectrophotometric and spectrofluorimetric titrations) for four new 7-nitrobenzoxadiazol-4-yl (NBD) derivatives of aniline and piperazine. Experimental dissociation constant for NBD-ethynylaniline 4 was calculated to be about 10 µmol/L.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91172846","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 : 2021-09-22DOI: 10.33581/2520-257x-2021-2-11-16
Aliaksandr S. Logvinovich, T. V. Sviridova, V. Agabekov, D. Sviridov
The effect of dispersed particles of lamellar molybdenum, tungsten and vanadium oxides on the lubrication properties of mineral oil was investigated. It is shown that in the presence of particles of hexagonal molybdenum oxide the coefficient of friction falls two-fold (from 0.08 to 0.04) exhibiting further decrease under high mechanical load, i. e. molybdenum oxide behaves as an adaptive lubricant. The intercalation of benzotriazole into molybdenum oxide ensures additional reduction of mechanical wearing due to suppressing the tribocorrosion.
{"title":"Synthesis of benzotriazole-intercalated dispersions of molybdenum, tungsten and vanadium oxides for tribochemical applications","authors":"Aliaksandr S. Logvinovich, T. V. Sviridova, V. Agabekov, D. Sviridov","doi":"10.33581/2520-257x-2021-2-11-16","DOIUrl":"https://doi.org/10.33581/2520-257x-2021-2-11-16","url":null,"abstract":"The effect of dispersed particles of lamellar molybdenum, tungsten and vanadium oxides on the lubrication properties of mineral oil was investigated. It is shown that in the presence of particles of hexagonal molybdenum oxide the coefficient of friction falls two-fold (from 0.08 to 0.04) exhibiting further decrease under high mechanical load, i. e. molybdenum oxide behaves as an adaptive lubricant. The intercalation of benzotriazole into molybdenum oxide ensures additional reduction of mechanical wearing due to suppressing the tribocorrosion.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79599295","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-08-27DOI: 10.33581/2520-257x-2020-2-43-49
S. Kostjuk
Sn(Oct)2-catalyzed ring-opening copolymerization of D,L-lactide and e-caprolactone in bulk at 130 °C at different D,L-lactide/e-caprolactone has been studied. It was shown that independent on the initial comonomers ratio, the synthesized copolymers are enriched by D,L-lactide at the early stage of reaction indicating the formation of gradient-like copolymer. However, the intensive transesterification reaction both during the polymerization and at the monomer-starved conditions leads to the redistribution of the monomer sequences and formation of the random copolymer. The synthesized copolymers are characterized by high polydispersity (Đ > 2.0), which raises when the reaction mixture was kept under monomer-starved conditions that confirms the occurrence of transesterification. The formation of random copolymer is confirmed by single Tg value, which gradually increased with the increase of the amount of D,L-lactide in the copolymer from –48.6 °C to 33.3 °C for D,L-lactide/e-caprolactone ratio in copolymer of 20:80 and 90:10 mol/mol, respectively.
研究了在130℃下Sn(Oct)2催化D, l -丙交酯和e-己内酯开环共聚反应。结果表明，与初始单体比无关，合成的共聚物在反应初期被D, l -丙交酯富集，表明形成了梯度状共聚物。然而，在聚合过程中和缺乏单体的条件下，剧烈的酯交换反应导致单体序列的重新分配和无规共聚物的形成。合成的共聚物具有高的多分散性(Đ > 2.0)，当反应混合物保持在单体匮乏的条件下，证实了酯交换反应的发生，该共聚物的多分散性提高。单Tg值证实了无规共聚物的形成，随着共聚物中D, l -丙交酯用量的增加，共聚物中D, l -丙交酯/e-己内酯的比例分别为20:80和90:10 mol/mol，从-48.6℃到33.3℃，Tg值逐渐增加。
{"title":"Copolymerization of D,L-lactide and ε-caprolactone using tin(II) octanoate as catalysts: an insight into copolymer microstructure","authors":"S. Kostjuk","doi":"10.33581/2520-257x-2020-2-43-49","DOIUrl":"https://doi.org/10.33581/2520-257x-2020-2-43-49","url":null,"abstract":"Sn(Oct)2-catalyzed ring-opening copolymerization of D,L-lactide and e-caprolactone in bulk at 130 °C at different D,L-lactide/e-caprolactone has been studied. It was shown that independent on the initial comonomers ratio, the synthesized copolymers are enriched by D,L-lactide at the early stage of reaction indicating the formation of gradient-like copolymer. However, the intensive transesterification reaction both during the polymerization and at the monomer-starved conditions leads to the redistribution of the monomer sequences and formation of the random copolymer. The synthesized copolymers are characterized by high polydispersity (Đ > 2.0), which raises when the reaction mixture was kept under monomer-starved conditions that confirms the occurrence of transesterification. The formation of random copolymer is confirmed by single Tg value, which gradually increased with the increase of the amount of D,L-lactide in the copolymer from –48.6 °C to 33.3 °C for D,L-lactide/e-caprolactone ratio in copolymer of 20:80 and 90:10 mol/mol, respectively.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81993117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-08-23DOI: 10.33581/2520-257x-2020-2-50-62
S. Kostjuk
In this review, the latest achievements in the field of cationic polymerization of isobutylene catalyzed by the complexes of conventional Lewis acids with ethers are presented. The experimental and computational data on the influence of steric structure and basicity of ether used for the preparation of the Lewis acid-ether complex on the catalyst activity and regioselectivity of β-H abstraction are discussed here. Complexes of metal halides with linear (Bu2O) and moderately branched (iPr2O) ethers of moderate basicity (pKa from –4.3 to –5.4) displayed the highest activity and regioselectivity in the cationic polymerization of isobutylene affording highly reactive polyisobutylene (HR PIB) – the key intermediate in the preparation of motor oil and fuel additives. The review is also focusing on the adaptation of the developed catalytic system to the industry, which consists in using non-polar hydrocarbon solvents, high temperatures and monomer concentrations.
{"title":"Complexes of aluminum, iron(III), and gallium(III) chlorides with ethers in synthesis of highly reactive polyisobutylene","authors":"S. Kostjuk","doi":"10.33581/2520-257x-2020-2-50-62","DOIUrl":"https://doi.org/10.33581/2520-257x-2020-2-50-62","url":null,"abstract":"In this review, the latest achievements in the field of cationic polymerization of isobutylene catalyzed by the complexes of conventional Lewis acids with ethers are presented. The experimental and computational data on the influence of steric structure and basicity of ether used for the preparation of the Lewis acid-ether complex on the catalyst activity and regioselectivity of β-H abstraction are discussed here. Complexes of metal halides with linear (Bu2O) and moderately branched (iPr2O) ethers of moderate basicity (pKa from –4.3 to –5.4) displayed the highest activity and regioselectivity in the cationic polymerization of isobutylene affording highly reactive polyisobutylene (HR PIB) – the key intermediate in the preparation of motor oil and fuel additives. The review is also focusing on the adaptation of the developed catalytic system to the industry, which consists in using non-polar hydrocarbon solvents, high temperatures and monomer concentrations.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83228682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-03-06DOI: 10.33581/2520-257x-2020-1-95-107
Nastassia V. Lishai, T. Savitskaya, Nadzeia G. Tsyhankova, D. Hrynshpan, O. Ivashkevich
The adsorption of the cephalosporin antibiotic sodium cefotaxime (CEFOT) on two activated carbons in the temperature range 288–313 K was under study. Experimental charcoal AC obtained from hydrolysis lignin was established to be mesoporous. It demonstrates greater CEFOT adsorption activity than the commercially available charcoal OU-A made from wood and characterized by both micro- and mesoporous structure. The surface modification of both activated carbons by a water-soluble polyelectrolyte cellulose acetate sulfate in the form of sodium salt (Na-CAS) leads to an increase in specific adsorption. The multilayer model with saturation (MMS) was used for data analysis. As a result, the number of molecules on the adsorption center, the density of adsorption centers, the total number of formed layers and the energy characteristics of adsorbate – adsorbent interactions at the interface and adsorbate – adsorbate ones within the adsorption layer were estimated.
{"title":"Adsorption of cefotaxim sodium on activated carbons of various origin","authors":"Nastassia V. Lishai, T. Savitskaya, Nadzeia G. Tsyhankova, D. Hrynshpan, O. Ivashkevich","doi":"10.33581/2520-257x-2020-1-95-107","DOIUrl":"https://doi.org/10.33581/2520-257x-2020-1-95-107","url":null,"abstract":"The adsorption of the cephalosporin antibiotic sodium cefotaxime (CEFOT) on two activated carbons in the temperature range 288–313 K was under study. Experimental charcoal AC obtained from hydrolysis lignin was established to be mesoporous. It demonstrates greater CEFOT adsorption activity than the commercially available charcoal OU-A made from wood and characterized by both micro- and mesoporous structure. The surface modification of both activated carbons by a water-soluble polyelectrolyte cellulose acetate sulfate in the form of sodium salt (Na-CAS) leads to an increase in specific adsorption. The multilayer model with saturation (MMS) was used for data analysis. As a result, the number of molecules on the adsorption center, the density of adsorption centers, the total number of formed layers and the energy characteristics of adsorbate – adsorbent interactions at the interface and adsorbate – adsorbate ones within the adsorption layer were estimated.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75228718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-03-05DOI: 10.33581/2520-257x-2020-1-74-87
S. Charapitsa, S. Sytova, Anton Korban, L. Sobolenko, V. Egorov, Siarhei M. Leschev, R. Čabala, M. Yilmaztekin, T. Cabaroglu
A collaborative interlaboratory study of the method of direct determination of volatile compounds in spirit drinks and alcoholic products was performed. The proposed method employs ethanol, the major volatile component of an alcoholic product, as an internal standard. For the experiment realization, 9 laboratories from 4 countries – Belarus, Czech Republic, Turkey, Russia – were supplied with standard solutions for gas chromatographic measurements. Five aqueous ethanol 40 % (v/v) standard solutions containing target compounds in concentrations ranging from 10 to 400 mg/L of absolute alcohol were gravimetrically prepared and delivered to the participants. The interlaboratory study was evaluated according to the ISO 5725 standards and the «EuroChem» guide. The repeatability limits (within-laboratory precision) varied between 0.4 and 7.5 % for all samples and compounds, showing a sufficiently high repeatability of the method. The reproducibility limits (between-laboratory precision) were found to vary within a satisfactory range of 0.5–10.0 %. Precision of the method was well within the range predicted by the Horwitz equation for all analytes. In the study experimental estimation of trueness was performed for the first time. Analysis of the obtained results showed that the bias of the method is insignificant at the significance level 5 %. The experimentally determined concentrations of the analytes compared well to the gravimetrical values, thus showing very satisfactory accuracy of the method. The results of the interlaboratory study confirmed that the method «ethanol as internal standard» is robust and reliable and can be used as a standard method for the determination of volatile compounds in water-ethanol samples. Moreover, this method can be validated in any one laboratory without performing additional experimental studies based on the results obtained by validation of the traditional method.
{"title":"Interlaboratory study of the method for direct determination of volatile compounds in alcoholic products using ethanol as internal standard","authors":"S. Charapitsa, S. Sytova, Anton Korban, L. Sobolenko, V. Egorov, Siarhei M. Leschev, R. Čabala, M. Yilmaztekin, T. Cabaroglu","doi":"10.33581/2520-257x-2020-1-74-87","DOIUrl":"https://doi.org/10.33581/2520-257x-2020-1-74-87","url":null,"abstract":"A collaborative interlaboratory study of the method of direct determination of volatile compounds in spirit drinks and alcoholic products was performed. The proposed method employs ethanol, the major volatile component of an alcoholic product, as an internal standard. For the experiment realization, 9 laboratories from 4 countries – Belarus, Czech Republic, Turkey, Russia – were supplied with standard solutions for gas chromatographic measurements. Five aqueous ethanol 40 % (v/v) standard solutions containing target compounds in concentrations ranging from 10 to 400 mg/L of absolute alcohol were gravimetrically prepared and delivered to the participants. The interlaboratory study was evaluated according to the ISO 5725 standards and the «EuroChem» guide. The repeatability limits (within-laboratory precision) varied between 0.4 and 7.5 % for all samples and compounds, showing a sufficiently high repeatability of the method. The reproducibility limits (between-laboratory precision) were found to vary within a satisfactory range of 0.5–10.0 %. Precision of the method was well within the range predicted by the Horwitz equation for all analytes. In the study experimental estimation of trueness was performed for the first time. Analysis of the obtained results showed that the bias of the method is insignificant at the significance level 5 %. The experimentally determined concentrations of the analytes compared well to the gravimetrical values, thus showing very satisfactory accuracy of the method. The results of the interlaboratory study confirmed that the method «ethanol as internal standard» is robust and reliable and can be used as a standard method for the determination of volatile compounds in water-ethanol samples. Moreover, this method can be validated in any one laboratory without performing additional experimental studies based on the results obtained by validation of the traditional method.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91402762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-03-05DOI: 10.33581/2520-257x-2020-1-48-63
C. M. Verbilo, A. Zuraev, Yuri V. Grigoriev, V. Budevich, O. Ivashkevich
The target for antibacterial action of 1,4-di- and 1,4,5-trisubstituted 1H-1,2,3-triazoles against E. coli ATCC 25922 and S. aureus ATCC 6538 was proposed. Structures of target proteins and investigated triazoles were built using molecular modeling. Binding mechanism was suggested according to conducted docking studies. Suggested binding models and affinity for a binding site of 1,4-disubstituted 1H-1,2,3-triazoles correlated with their experimental activity. Further functionalization directions for continuation of a search for a novel effective antibacterial agents were discovered.
{"title":"Study of the mechanism of antibacterial action of 1,4-di- and 1,4,5-trisubstituted 1Н-1,2,3-triazoles by molecular modeling","authors":"C. M. Verbilo, A. Zuraev, Yuri V. Grigoriev, V. Budevich, O. Ivashkevich","doi":"10.33581/2520-257x-2020-1-48-63","DOIUrl":"https://doi.org/10.33581/2520-257x-2020-1-48-63","url":null,"abstract":"The target for antibacterial action of 1,4-di- and 1,4,5-trisubstituted 1H-1,2,3-triazoles against E. coli ATCC 25922 and S. aureus ATCC 6538 was proposed. Structures of target proteins and investigated triazoles were built using molecular modeling. Binding mechanism was suggested according to conducted docking studies. Suggested binding models and affinity for a binding site of 1,4-disubstituted 1H-1,2,3-triazoles correlated with their experimental activity. Further functionalization directions for continuation of a search for a novel effective antibacterial agents were discovered.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76943391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-03-05DOI: 10.33581/2520-257x-2020-1-64-73
M. M. Degtyarik, A. N. Bogatikov, S. Voitekhovich, A. Lyakhov, L. Ivashkevich, Yuri V. Grigoriev, O. Ivashkevich
A novel facile method for the synthesis of 1-iso-propyl-1H-1,2,4-triazole (L) is described. This method is based on alkylation of 1,2,4-triazole with isopropyl alcohol in sulfuric acid media. It allows to synthesize the target product selectively with a yield of near 98 %. New coordination compounds [CuL2(Н2О)2Cl2] and [СuL4Cl2] were synthesized by the interaction of 1-iso-propyl-1H-1,2,4-triazole with copper(II) chloride dihydrate. Composition and structure of prepared complexes were studied by elemental analysis, X-ray diffraction analysis and IR spectroscopy. Both coordination compounds were found to be mononuclear complexes with octahedral coordination of copper atoms. Ligand L shows monodentate coordination through the triazole ring N4 atom. The analysis of the changes observed in the IR-spectrum of L under coordination with CuII atom was carried out. It was shown that IR spectroscopy can be used in order to study some structural peculiarities of azole complexes, in particular presence of bounded or coordinated water molecules and hydrogen bonds as well as localization of coordination bonds.
{"title":"Synthesis and structure of copper(II) complexes with 1-iso-propyl-1Н-1,2,4-triazole","authors":"M. M. Degtyarik, A. N. Bogatikov, S. Voitekhovich, A. Lyakhov, L. Ivashkevich, Yuri V. Grigoriev, O. Ivashkevich","doi":"10.33581/2520-257x-2020-1-64-73","DOIUrl":"https://doi.org/10.33581/2520-257x-2020-1-64-73","url":null,"abstract":"A novel facile method for the synthesis of 1-iso-propyl-1H-1,2,4-triazole (L) is described. This method is based on alkylation of 1,2,4-triazole with isopropyl alcohol in sulfuric acid media. It allows to synthesize the target product selectively with a yield of near 98 %. New coordination compounds [CuL2(Н2О)2Cl2] and [СuL4Cl2] were synthesized by the interaction of 1-iso-propyl-1H-1,2,4-triazole with copper(II) chloride dihydrate. Composition and structure of prepared complexes were studied by elemental analysis, X-ray diffraction analysis and IR spectroscopy. Both coordination compounds were found to be mononuclear complexes with octahedral coordination of copper atoms. Ligand L shows monodentate coordination through the triazole ring N4 atom. The analysis of the changes observed in the IR-spectrum of L under coordination with CuII atom was carried out. It was shown that IR spectroscopy can be used in order to study some structural peculiarities of azole complexes, in particular presence of bounded or coordinated water molecules and hydrogen bonds as well as localization of coordination bonds.","PeriodicalId":17303,"journal":{"name":"Journal of the Belarusian State University. Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81768824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：