Identification of chemical compounds has many applications in science and technology. However, this process still relies heavily on the knowledge and experience of chemists. Thus, the development of techniques for faster and more accurate chemical compound identification is essential. In this work, we demonstrate the feasibility of using artificial neural networks to accurately identify organic compounds through the measurement of refractive index. The models were developed based on refractive index measurements in different wavelengths of light, from UV to the far-infrared region. The models were trained with about 250,000 records of experimental optical constants for 60 organic compounds and polymers from published literature. The models performed with accuracies of up to 98%, with better performance observed for refractive index measurements across the visible and IR regions. The proposed models could be coupled with other devices for autonomous identification of chemical compounds using a single-wavelength dispersive measurement
{"title":"Identification of organic compounds using artificial neural networks and refractive index","authors":"Innocent Kirigiti, N. Aminah, Samson Thomas","doi":"10.2298/jsc230201049k","DOIUrl":"https://doi.org/10.2298/jsc230201049k","url":null,"abstract":"Identification of chemical compounds has many applications in science and technology. However, this process still relies heavily on the knowledge and experience of chemists. Thus, the development of techniques for faster and more accurate chemical compound identification is essential. In this work, we demonstrate the feasibility of using artificial neural networks to accurately identify organic compounds through the measurement of refractive index. The models were developed based on refractive index measurements in different wavelengths of light, from UV to the far-infrared region. The models were trained with about 250,000 records of experimental optical constants for 60 organic compounds and polymers from published literature. The models performed with accuracies of up to 98%, with better performance observed for refractive index measurements across the visible and IR regions. The proposed models could be coupled with other devices for autonomous identification of chemical compounds using a single-wavelength dispersive measurement","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68516975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. Rajkovic, M. Drobac, P. Milić, V. Vučić, A. Arsic, Mirijana Peric, M. Radunović, Sanja Jeremić, J. Arsenijević
Juglans nigra (Black walnut) is a source of health-promoting biologically active compounds used in traditional medicine. The investigation of bioactive compounds in black walnut could lead to its broader application, as well as application of its by-products. Therefore, this study aimed to characterize J. nigra nut and green husk based on chemical analysis of their petroleum ether and ethanol extracts obtained by ultrasonic and reflux extraction methods, respectively. Different extract fractions were tested for their antimicrobial activities using Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa), Gram-positive bacteria (Enterococcus faecalis Staphylococcus aureus) and yeast (reference strain and clinical isolates of Candida albicans). Ethanol extracts analysis, performed by High Performance Liquid Chromatography (HPLC), singled out the ellagic acid as the most dominant compound in nut (55.0 ? 1.3 ? 10-3 kg m-3) and green husk (114.1 ? 0.5? 10-3 kg m-3) extracts. Non-polar compounds were evaluated using Gas Chromatography (GC) analysis of petroleum ether extracts. Juglans nigra nut and green husk contained two saturated fatty acids, palmitic acid (C16:0) and stearic acid (C18:0), then, monounsaturated fatty acids, palmitoleic (C16:1n-7), oleic (C18:1n-9), and vaccenic acid (C18:1n-7), as well as polyunsaturated fatty acids, linoleic (C18:2n-6), ?-linolenic (C18:3n-6), and ?-linolenic (C18:3n-3) acids. Ethanol extracts of both J. nigra nut and green husk showed antimicrobial activity against C. albicans which is the most common cause of yeast infections.
黑胡桃(黑胡桃)是传统医学中使用的促进健康的生物活性化合物的来源。通过对黑核桃中生物活性物质的研究，为黑核桃及其副产品的开发利用提供了广阔的前景。因此，本研究旨在通过超声波提取的石油醚提取物和回流提取的乙醇提取物进行化学分析，对黑荆果和青皮进行表征。采用革兰氏阴性菌(大肠杆菌、铜绿假单胞菌)、革兰氏阳性菌(粪肠球菌、金黄色葡萄球菌)和酵母菌(白色念珠菌参考菌株和临床分离株)对不同提取物组分进行抑菌活性测试。乙醇提取物的高效液相色谱分析表明，鞣花酸是坚果中最主要的化合物(55.0 ?1.3 ?10-3 kg m-3)和绿皮(114.1 ?0.5 ?10-3 kg m-3)提取物。采用气相色谱法对石油醚提取物中的非极性化合物进行了分析。黑胡桃果和青皮含有棕榈酸(C16:0)和硬脂酸(C18:0)两种饱和脂肪酸，其次是单不饱和脂肪酸棕榈油酸(C16:1n-7)、油酸(C18:1n-9)和异丙酸(C18:1n-7)，以及多不饱和脂肪酸亚油酸(C18:2n-6)、-亚麻酸(C18:3n-6)和-亚麻酸(C18:3n-3)。黑胡桃和绿皮的乙醇提取物对白色念珠菌都有抗菌活性，白色念珠菌是酵母菌感染最常见的原因。
{"title":"Chemical characterization and antimicrobial activity of Juglans nigra L. nut and green husk","authors":"K. Rajkovic, M. Drobac, P. Milić, V. Vučić, A. Arsic, Mirijana Peric, M. Radunović, Sanja Jeremić, J. Arsenijević","doi":"10.2298/jsc230210024r","DOIUrl":"https://doi.org/10.2298/jsc230210024r","url":null,"abstract":"Juglans nigra (Black walnut) is a source of health-promoting biologically active compounds used in traditional medicine. The investigation of bioactive compounds in black walnut could lead to its broader application, as well as application of its by-products. Therefore, this study aimed to characterize J. nigra nut and green husk based on chemical analysis of their petroleum ether and ethanol extracts obtained by ultrasonic and reflux extraction methods, respectively. Different extract fractions were tested for their antimicrobial activities using Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa), Gram-positive bacteria (Enterococcus faecalis Staphylococcus aureus) and yeast (reference strain and clinical isolates of Candida albicans). Ethanol extracts analysis, performed by High Performance Liquid Chromatography (HPLC), singled out the ellagic acid as the most dominant compound in nut (55.0 ? 1.3 ? 10-3 kg m-3) and green husk (114.1 ? 0.5? 10-3 kg m-3) extracts. Non-polar compounds were evaluated using Gas Chromatography (GC) analysis of petroleum ether extracts. Juglans nigra nut and green husk contained two saturated fatty acids, palmitic acid (C16:0) and stearic acid (C18:0), then, monounsaturated fatty acids, palmitoleic (C16:1n-7), oleic (C18:1n-9), and vaccenic acid (C18:1n-7), as well as polyunsaturated fatty acids, linoleic (C18:2n-6), ?-linolenic (C18:3n-6), and ?-linolenic (C18:3n-3) acids. Ethanol extracts of both J. nigra nut and green husk showed antimicrobial activity against C. albicans which is the most common cause of yeast infections.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68517178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
P. Stanić, Darko P Ašanin, T. Soldatović, Marija D. Živković
1H NMR spectroscopy was used to monitor the reactions of an arylidene 2-thiohydantoin derivative, 3-((phenylmethylene)amino)-2-thioxo-4- imidazolidinone (3), with PdCl2, cis-[PdCl2(dmso-S)2] and K2[PdCl4] in DMSO-d6 in order to elucidate the reaction kinetics and mechanism. The 2-thiohydantoin derivative 3 formed cis-[Pd(3-N,S)(dmso-S)2]+ complex (5) in reactions with PdCl2 and cis-[PdCl2(dmso-S)2], while no reaction with K2[PdCl4] was observed. A two-step mechanism for the reactions of 3 with PdCl2 and cis-[PdCl2(dmso- S)2] is proposed, in which fast coordination to the side chain nitrogen occurs in the first step, while chelation and coordination to the sulfur atom in the 2- thiohydantoin ring is the second, slower, rate-determining step. The reaction rate constants were calculated and reactivities of the 2-thiohydantoin derivative 3 towards the palladium(II) salts were compared and discussed. Reaction of 3 with cis-[PdCl2(dmso-S)2] was faster than with PdCl2. The investigated palladium(II) salts also react with the solvent, DMSO-d6, and the influence of these side reactions on the outcome and kinetics of the 2-thiohydantoin derivative complexation reaction is discussed in detail. The obtained results of this study can have an impact in explanation of the coordination behavior of antitumor active palladium(II) and platinum(II) complexes
{"title":"Kinetic investigation of reactions of a 3-arylidene-2-thiohydantoin derivative with palladium (II) salts","authors":"P. Stanić, Darko P Ašanin, T. Soldatović, Marija D. Živković","doi":"10.2298/jsc230626052s","DOIUrl":"https://doi.org/10.2298/jsc230626052s","url":null,"abstract":"1H NMR spectroscopy was used to monitor the reactions of an arylidene 2-thiohydantoin derivative, 3-((phenylmethylene)amino)-2-thioxo-4- imidazolidinone (3), with PdCl2, cis-[PdCl2(dmso-S)2] and K2[PdCl4] in DMSO-d6 in order to elucidate the reaction kinetics and mechanism. The 2-thiohydantoin derivative 3 formed cis-[Pd(3-N,S)(dmso-S)2]+ complex (5) in reactions with PdCl2 and cis-[PdCl2(dmso-S)2], while no reaction with K2[PdCl4] was observed. A two-step mechanism for the reactions of 3 with PdCl2 and cis-[PdCl2(dmso- S)2] is proposed, in which fast coordination to the side chain nitrogen occurs in the first step, while chelation and coordination to the sulfur atom in the 2- thiohydantoin ring is the second, slower, rate-determining step. The reaction rate constants were calculated and reactivities of the 2-thiohydantoin derivative 3 towards the palladium(II) salts were compared and discussed. Reaction of 3 with cis-[PdCl2(dmso-S)2] was faster than with PdCl2. The investigated palladium(II) salts also react with the solvent, DMSO-d6, and the influence of these side reactions on the outcome and kinetics of the 2-thiohydantoin derivative complexation reaction is discussed in detail. The obtained results of this study can have an impact in explanation of the coordination behavior of antitumor active palladium(II) and platinum(II) complexes","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68517907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Herein, we have reported the facile synthesis of various benzimidazole / benzothiazole by using DBU-Iodine-Iodide as a green and simple catalyst. The R2NH+I3 complexes have been formed by reacting an aqueous mixture of ammonium iodide and molecular iodine with the aqueous solution of amine. The structure of R2NH+I3 complexes has confirmed by spectroscopic techniques. The prepared amine-iodine complexes have screened as a catalyst in the synthesis of benzimidazole / benzothiazoles. Among the screened catalyst DBUH+I3complex has been found as an efficient catalyst. The synthesis of benzimidazoles and benzothiazoles has been achieved with the reaction of o-phenylene diamine /o- amino thiophenol and various substituted aryl aldehyde using DBUH+I3 as a catalyst. The present protocol has offered some advantages over other reported protocols such as the mild reaction condition, commercially available precursors, inexpensive catalyst, short reaction time, the broad scope of the substrate, high yield, simple isolation of the product, and environmentally benign method.
{"title":"DBUH+I3 complex an efficient catalyst for the synthesis of 2-phenyl benzimidazole and benzothiazole derivatives","authors":"R. Gawade, P. Kulkarni","doi":"10.2298/jsc220526007g","DOIUrl":"https://doi.org/10.2298/jsc220526007g","url":null,"abstract":"Herein, we have reported the facile synthesis of various benzimidazole / benzothiazole by using DBU-Iodine-Iodide as a green and simple catalyst. The R2NH+I3 complexes have been formed by reacting an aqueous mixture of ammonium iodide and molecular iodine with the aqueous solution of amine. The structure of R2NH+I3 complexes has confirmed by spectroscopic techniques. The prepared amine-iodine complexes have screened as a catalyst in the synthesis of benzimidazole / benzothiazoles. Among the screened catalyst DBUH+I3complex has been found as an efficient catalyst. The synthesis of benzimidazoles and benzothiazoles has been achieved with the reaction of o-phenylene diamine /o- amino thiophenol and various substituted aryl aldehyde using DBUH+I3 as a catalyst. The present protocol has offered some advantages over other reported protocols such as the mild reaction condition, commercially available precursors, inexpensive catalyst, short reaction time, the broad scope of the substrate, high yield, simple isolation of the product, and environmentally benign method.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68514557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Vukčević, Marina Maletic, Biljana Pejić, N. Karic, K. Trivunac, A. Perić-Grujić
Waste hemp and flax fibers, and cotton and cotton/polyester yarns, available in large quantities from the textile industry, were used as cheap and effective sorbents for the removal of methylene blue from wastewater. Waste fibers and yarns were characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, iodine sorption, water retention, and point of zero charge, as well as through the determination of crystallinity index and degree of surface crystallinity. Adsorption of methylene blue was optimized by examining the influence of contact time, initial concentration, temperature, and pH value. It was found that the more ordered structure of cotton and cotton/polyester yarns leads to lower adsorption capacities and better agreement with pseudo-second order kinetic and Langmuir isotherm model, while the more heterogeneous structure of flax and hemp fibers show higher capacities for methylene blue adsorption, better described by the pseudo-first order kinetic and Freundlich isotherm model. Based on the obtained results, waste lignocellulosic fibers and yarns can be utilized for the discoloration of wastewater, thereby solving the problem of waste generated in the textile industry.
{"title":"Waste hemp and flax fibers and cotton and cotton/polyester yarns for removal of methylene blue from wastewater: Comparative study of adsorption properties","authors":"M. Vukčević, Marina Maletic, Biljana Pejić, N. Karic, K. Trivunac, A. Perić-Grujić","doi":"10.2298/jsc221213015v","DOIUrl":"https://doi.org/10.2298/jsc221213015v","url":null,"abstract":"Waste hemp and flax fibers, and cotton and cotton/polyester yarns, available in large quantities from the textile industry, were used as cheap and effective sorbents for the removal of methylene blue from wastewater. Waste fibers and yarns were characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, iodine sorption, water retention, and point of zero charge, as well as through the determination of crystallinity index and degree of surface crystallinity. Adsorption of methylene blue was optimized by examining the influence of contact time, initial concentration, temperature, and pH value. It was found that the more ordered structure of cotton and cotton/polyester yarns leads to lower adsorption capacities and better agreement with pseudo-second order kinetic and Langmuir isotherm model, while the more heterogeneous structure of flax and hemp fibers show higher capacities for methylene blue adsorption, better described by the pseudo-first order kinetic and Freundlich isotherm model. Based on the obtained results, waste lignocellulosic fibers and yarns can be utilized for the discoloration of wastewater, thereby solving the problem of waste generated in the textile industry.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68515961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Kašanin-Grubin, G. Veselinović, Nevena Antić, G. Gajica, S. Stojadinović, A. Šajnović, S. Štrbac
Soil erosion is a problem that affects the landscape at different scales and represents a serious challenge for land management and soil conservation in both natural forests and meadows. The aim of this study was to determine how the parent material and land use affect the physical and chemical properties of the soil in the area of the Fruska gora Mountain. The soils were developed on five bedrock types: serpentinite, marl, trachyte, shale, loess and two land use types: forest and meadow. Twenty-three forest soil and 24 meadow soil from a depth of 0-20 cm were sampled from the Fruska gora Mt. Following properties were determined: pH, electrical conductivity, oxidation-reduction potential, content of organic carbon, sodium adsorption ratio, aggregate size and stability. There is no statistically significant difference in pH, Eh, EC, and SAR values between the analyzed forest and meadow soils, but there is a statistically significant difference in the content of Corg. It can be conculded that both the parent matrial, and to a slightly less extent, land use have a great influence on physico-chemical properties of the soil.
{"title":"The influence of geological setting and land use on the physical and chemical properties of the soil at the Fruska gora Mountain","authors":"M. Kašanin-Grubin, G. Veselinović, Nevena Antić, G. Gajica, S. Stojadinović, A. Šajnović, S. Štrbac","doi":"10.2298/jsc221221012g","DOIUrl":"https://doi.org/10.2298/jsc221221012g","url":null,"abstract":"Soil erosion is a problem that affects the landscape at different scales and represents a serious challenge for land management and soil conservation in both natural forests and meadows. The aim of this study was to determine how the parent material and land use affect the physical and chemical properties of the soil in the area of the Fruska gora Mountain. The soils were developed on five bedrock types: serpentinite, marl, trachyte, shale, loess and two land use types: forest and meadow. Twenty-three forest soil and 24 meadow soil from a depth of 0-20 cm were sampled from the Fruska gora Mt. Following properties were determined: pH, electrical conductivity, oxidation-reduction potential, content of organic carbon, sodium adsorption ratio, aggregate size and stability. There is no statistically significant difference in pH, Eh, EC, and SAR values between the analyzed forest and meadow soils, but there is a statistically significant difference in the content of Corg. It can be conculded that both the parent matrial, and to a slightly less extent, land use have a great influence on physico-chemical properties of the soil.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68516079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Non-viral chemical-based methods for in vitro cell transfection are commonly used to incorporate foreign gene of interest into mammalian cells due to numerous benefits - high efficiency, low cost and simple methodology. These powerful transfection methods generally do not possess safety risks as virus-based, and cell toxicity is significantly reduced. To obtain transfectants, host cells are usually treated with biocompatible DNA carriers such as calcium phosphate, cationic lipids, DEAE-dextran, polyethylenimine or dendrimers, classifying these methods based on chemical reagents used. All these different approaches are based on the similar principle, formation of encapsulated amphiphilic complexes between DNA and various particles, following cell uptake, most likely mediated by endocytosis. Depending on the aim and design of experiment, the choice of appropriate method is made. This review article outlines strategies of the most widely used chemical transfection techniques, pointing out advantages and limitations of different DNA carriers, as well as findings of researchers how to optimize and enhance efficiency of gene delivery procedure. With methodology constantly being improved, transfection methods described here find their main, biomedical application in gene therapy, a promising way to introduce functional copy of exogenous gene to genetically defective target cells.
{"title":"Chemically-assisted DNA transfection methods-an overview","authors":"Sofija Bekic, S. Jovanović-Šanta","doi":"10.2298/jsc221222019b","DOIUrl":"https://doi.org/10.2298/jsc221222019b","url":null,"abstract":"Non-viral chemical-based methods for in vitro cell transfection are commonly used to incorporate foreign gene of interest into mammalian cells due to numerous benefits - high efficiency, low cost and simple methodology. These powerful transfection methods generally do not possess safety risks as virus-based, and cell toxicity is significantly reduced. To obtain transfectants, host cells are usually treated with biocompatible DNA carriers such as calcium phosphate, cationic lipids, DEAE-dextran, polyethylenimine or dendrimers, classifying these methods based on chemical reagents used. All these different approaches are based on the similar principle, formation of encapsulated amphiphilic complexes between DNA and various particles, following cell uptake, most likely mediated by endocytosis. Depending on the aim and design of experiment, the choice of appropriate method is made. This review article outlines strategies of the most widely used chemical transfection techniques, pointing out advantages and limitations of different DNA carriers, as well as findings of researchers how to optimize and enhance efficiency of gene delivery procedure. With methodology constantly being improved, transfection methods described here find their main, biomedical application in gene therapy, a promising way to introduce functional copy of exogenous gene to genetically defective target cells.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68516247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
V. Kojić, Miloš Svirčev, Sanja Djokić, Ivana Kovacevic, M. Rodić, Bojana Sreco-Zelenovic, V. Popsavin, Mirjana Popsavin
New thiazole hybrids were synthesized and evaluated for their in vitro cytotoxicity against a panel of human malignant cell lines. The key steps in the synthesis of hybrids 3-7 involved the initial condensation of appropriate aldononitriles with cysteine ethyl ester hydrochloride, followed by subsequent treatment of resulting thiazolines with DBU to form the thiazole ring. Bioiso-steres 8 and 14 have been prepared after the stereoselective addition of 2-(tri-methylsilyl)thiazole to the hemiacetals obtained by periodate cleavage of terminal diol functionality in the suitably protected D-glucose derivatives. The obtained analogues showed various antiproliferative activities in the cultures of several tumour cell lines. Hybrid 6 was the most potent in HeLa cells, exhibiting more than 10 and 4 times stronger activity than both leads 1 and 2, respectively. The most active compound in Raji cells was hybrid 12, which was nearly 2-fold more potent than the clinical antitumour drug doxorubicin. All analogues were more potent in A549 cells with respect to lead 1, while compounds 6 and 7 were slightly more active than DOX. Preliminary SAR analysis revealed that the presence of a cinnamate group at the C-3 position in analogues of type 7 increases the activity of resulting molecular hybrids.
{"title":"Synthesis and antiproliferative activity of new thiazole hybrids with [3.3.0]furofuranone or tetrahydrofuran scaffolds","authors":"V. Kojić, Miloš Svirčev, Sanja Djokić, Ivana Kovacevic, M. Rodić, Bojana Sreco-Zelenovic, V. Popsavin, Mirjana Popsavin","doi":"10.2298/jsc221130002k","DOIUrl":"https://doi.org/10.2298/jsc221130002k","url":null,"abstract":"New thiazole hybrids were synthesized and evaluated for their in vitro cytotoxicity against a panel of human malignant cell lines. The key steps in the synthesis of hybrids 3-7 involved the initial condensation of appropriate aldononitriles with cysteine ethyl ester hydrochloride, followed by subsequent treatment of resulting thiazolines with DBU to form the thiazole ring. Bioiso-steres 8 and 14 have been prepared after the stereoselective addition of 2-(tri-methylsilyl)thiazole to the hemiacetals obtained by periodate cleavage of terminal diol functionality in the suitably protected D-glucose derivatives. The obtained analogues showed various antiproliferative activities in the cultures of several tumour cell lines. Hybrid 6 was the most potent in HeLa cells, exhibiting more than 10 and 4 times stronger activity than both leads 1 and 2, respectively. The most active compound in Raji cells was hybrid 12, which was nearly 2-fold more potent than the clinical antitumour drug doxorubicin. All analogues were more potent in A549 cells with respect to lead 1, while compounds 6 and 7 were slightly more active than DOX. Preliminary SAR analysis revealed that the presence of a cinnamate group at the C-3 position in analogues of type 7 increases the activity of resulting molecular hybrids.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68516261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
(5R)-Cleistenolide and a few related analogues have been synthesized starting from d-glucose. The key steps of the synthesis included a Z-selective Wittig olefination and an intramolecular Mitsunobu reaction with an inversion of configuration at the C-5 position. In vitro antiproliferative activity of synthesized compounds was tested on a panel of eight human tumour cells and against a single normal cell line (MRC-5). The majority of tested compounds showed strong antiproliferative effects on certain human tumour cells and all of them showed negligible toxicity to normal foetal lung fibroblasts (MRC-5). The most active compound obtained in this work is lactone 5, which in MDA-MB 231 cell culture showed the same activity as doxorubicin (IC50 0.09 ?M). Strong antiproliferative activities of analogues 2, 5 and 6 were recorded in the K562 cell line (IC50 0.21, 0.34 and 0.33 ?M, respectively), in which they showed very similar activities to doxorubicin (IC50 0.25 ?M). A performed SAR study revealed that a change in the stereochemistry at the C-5 position may increase the activity of resulting stereoisomers.
{"title":"Synthesis and antiproliferative activity of (5R)-cleistenolide and analogues","authors":"","doi":"10.2298/jsc230126018f","DOIUrl":"https://doi.org/10.2298/jsc230126018f","url":null,"abstract":"(5R)-Cleistenolide and a few related analogues have been synthesized starting from d-glucose. The key steps of the synthesis included a Z-selective Wittig olefination and an intramolecular Mitsunobu reaction with an inversion of configuration at the C-5 position. In vitro antiproliferative activity of synthesized compounds was tested on a panel of eight human tumour cells and against a single normal cell line (MRC-5). The majority of tested compounds showed strong antiproliferative effects on certain human tumour cells and all of them showed negligible toxicity to normal foetal lung fibroblasts (MRC-5). The most active compound obtained in this work is lactone 5, which in MDA-MB 231 cell culture showed the same activity as doxorubicin (IC50 0.09 ?M). Strong antiproliferative activities of analogues 2, 5 and 6 were recorded in the K562 cell line (IC50 0.21, 0.34 and 0.33 ?M, respectively), in which they showed very similar activities to doxorubicin (IC50 0.25 ?M). A performed SAR study revealed that a change in the stereochemistry at the C-5 position may increase the activity of resulting stereoisomers.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68516707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A promising way to recover spent nuclear fuel (SNF) is the method of extracting transuranium compounds from molten salt, which makes it possible to obtain a partial separation between transuranium compounds and lanthanides. This work is devoted to the quantum mechanical study of changes in the structure, energy and electronic properties of the main SNF component, uranium dioxide, upon the removal of oxygen from the system. The influence on the considered properties of the system of the substitution of uranium by plutonium is also studied at a ratio of the number of plutonium atoms to uranium atoms of 1:7 and 1:3. The removal of oxygen leads to a narrowing of the band gap up to the transition to a conductive state at a ratio of uranium to oxygen of 2:3. The band gap narrows and metallization sets in even when uranium is replaced by plutonium. A two-stage UO2 metallization scheme based on lithium reduction and direct (electronic) reduction is proposed.
{"title":"Quantum-mechanical study of the electronic properties of UxPuyOz compounds formed during the recovery of spent nuclear fuel","authors":"A. Galashev, A. Vorob’ev, Y. Zaikov","doi":"10.2298/jsc230213038g","DOIUrl":"https://doi.org/10.2298/jsc230213038g","url":null,"abstract":"A promising way to recover spent nuclear fuel (SNF) is the method of extracting transuranium compounds from molten salt, which makes it possible to obtain a partial separation between transuranium compounds and lanthanides. This work is devoted to the quantum mechanical study of changes in the structure, energy and electronic properties of the main SNF component, uranium dioxide, upon the removal of oxygen from the system. The influence on the considered properties of the system of the substitution of uranium by plutonium is also studied at a ratio of the number of plutonium atoms to uranium atoms of 1:7 and 1:3. The removal of oxygen leads to a narrowing of the band gap up to the transition to a conductive state at a ratio of uranium to oxygen of 2:3. The band gap narrows and metallization sets in even when uranium is replaced by plutonium. A two-stage UO2 metallization scheme based on lithium reduction and direct (electronic) reduction is proposed.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68517252","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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