The textile, leather, paint and other industries discharge lots of dyes in their effluent which can cause major impact to environment and human life. Therefore, it becomes necessary to eliminate the dye from the effluent before its discharge and reuse. Several procedures for the removal and inactivation of dyes have been proposed over past but the adsorption has gained popularity due to its efficiency and operational ease. Use of the biochars as an adsorbent is gaining attention due to their low cost, availability and high adsorption capability. The current study focuses on the removal of Basic Fuchsin (BF) dye through adsorption using Jamun (Syzyum Cumini) seed powder biochar as an adsorbent. The biochar was characterized through various analyses such as: XRD, EDS, FTIR, TGA and SEM. Adsorption was studied by varying the parameters such as pH, contact duration, temperature, adsorbent dose, and temperature. Further, the isotherm, kinetic, and thermodynamic studies were also performed to understand the adsorption mechanism. The maximum adsorption capacity for BF dye was found with Jamun seed biochar produced at 500?C. The study reveals that the biochar manufactured from Jamun seed power has significant potential for elimination of BF dye from wastewater.
{"title":"Utilization of Jamun seed (Syzyum Cumini) biochar for removal of Fuchsin dye from aqueous solution","authors":"Divya Kosale, C. Thakur, Vinod Singh","doi":"10.2298/jsc220830021k","DOIUrl":"https://doi.org/10.2298/jsc220830021k","url":null,"abstract":"The textile, leather, paint and other industries discharge lots of dyes in their effluent which can cause major impact to environment and human life. Therefore, it becomes necessary to eliminate the dye from the effluent before its discharge and reuse. Several procedures for the removal and inactivation of dyes have been proposed over past but the adsorption has gained popularity due to its efficiency and operational ease. Use of the biochars as an adsorbent is gaining attention due to their low cost, availability and high adsorption capability. The current study focuses on the removal of Basic Fuchsin (BF) dye through adsorption using Jamun (Syzyum Cumini) seed powder biochar as an adsorbent. The biochar was characterized through various analyses such as: XRD, EDS, FTIR, TGA and SEM. Adsorption was studied by varying the parameters such as pH, contact duration, temperature, adsorbent dose, and temperature. Further, the isotherm, kinetic, and thermodynamic studies were also performed to understand the adsorption mechanism. The maximum adsorption capacity for BF dye was found with Jamun seed biochar produced at 500?C. The study reveals that the biochar manufactured from Jamun seed power has significant potential for elimination of BF dye from wastewater.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68515407","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}
S. Emmanuel, A. Sallau, O. Adedirin, H. Ibrahim, M. Buga, Anthony Okereke, G. Ozonyia, Fortune Alabi
The rich husk is an agricultural waste of rice cultivation worldwide, which is highly rich in amorphous silica. Rice husk obtained from Dagiri was pyrolysed at 750 ? to give white ash (RHA) which was further treated with acid (ARHA). The ash was reacted with sodium hydroxide at 90 ? for 2 hours 30 min to produce Sodium silicate crystals. Sodium silicates synthesized in the study were characterized with some physicochemical parameters. Their structural and morphological properties were assessed using a Fourier Transform Infra-red spectrophotometer (FTIR), X-ray Diffractometer (XRD) and Scanning Electrode Microscope (SEM). The mineralogical composition of the ash and sodium silicate was investigated with Energy-dispersive X-ray fluorescence (EDXRF) spectrometer. The sodium silicate produced has a melting point of 61 ?, a pH of 12.03 and appeared as brownish-white to clear-white in colour. The RHA and ARHA from XRD investigation showed patterns which match the mineral phase cristobalite, while that of the sodium silicate XRD patterns match the mineral heptahydrate disodiumtrioxosilicate as the most dominant phase. Rietveld refinement of the XRD pattern for the sodium silicate gave Rwp = 12.81, Rexp = 5.55, ?2 = 5.3274 and GoF = 2.3081 against a dual phase analysis. The sodium crystal-synthesized is suitable for use in cosmetic formulations.
{"title":"Synthesis of sodium silicate crystals from rice husk ash","authors":"S. Emmanuel, A. Sallau, O. Adedirin, H. Ibrahim, M. Buga, Anthony Okereke, G. Ozonyia, Fortune Alabi","doi":"10.2298/jsc221126040e","DOIUrl":"https://doi.org/10.2298/jsc221126040e","url":null,"abstract":"The rich husk is an agricultural waste of rice cultivation worldwide, which is highly rich in amorphous silica. Rice husk obtained from Dagiri was pyrolysed at 750 ? to give white ash (RHA) which was further treated with acid (ARHA). The ash was reacted with sodium hydroxide at 90 ? for 2 hours 30 min to produce Sodium silicate crystals. Sodium silicates synthesized in the study were characterized with some physicochemical parameters. Their structural and morphological properties were assessed using a Fourier Transform Infra-red spectrophotometer (FTIR), X-ray Diffractometer (XRD) and Scanning Electrode Microscope (SEM). The mineralogical composition of the ash and sodium silicate was investigated with Energy-dispersive X-ray fluorescence (EDXRF) spectrometer. The sodium silicate produced has a melting point of 61 ?, a pH of 12.03 and appeared as brownish-white to clear-white in colour. The RHA and ARHA from XRD investigation showed patterns which match the mineral phase cristobalite, while that of the sodium silicate XRD patterns match the mineral heptahydrate disodiumtrioxosilicate as the most dominant phase. Rietveld refinement of the XRD pattern for the sodium silicate gave Rwp = 12.81, Rexp = 5.55, ?2 = 5.3274 and GoF = 2.3081 against a dual phase analysis. The sodium crystal-synthesized is suitable for use in cosmetic formulations.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68516201","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}
The report describes the development of methods for rapid and simple identification of Adamsite in mobile laboratory conditions using a field gas chromatograph coupled with mass spectrometer. Adamsite is a chemical warfare agent with unique properties that cannot be analyzed without conversion to a volatile derivative. Derivatization procedures with 5 aliphatic thiols (ethanethiol, 1-propanethiol, 2-propanethiol, 1-butanethiol and 1-hexanethiol) were developed and compared. The retention characteristics of the derivatization products, peak characteristics and the formation of unwanted artifacts in the chromatograms were monitored. The influence of the reaction media and the time dependence of the reaction were also objects of interest. Other investigated parameters were the optimal reaction temperature and the volume of the derivatization agent. Mass spectra of newly created substances that are not yet included in the chemical weapons related databases were recorded. With optimal reagents (1-butanethiol and 1-hexanethiol), calibration procedures for analyte determination were subsequently developed, and the methods were verified during the Adamsite identification test in selected environmental and urban matrices.
{"title":"Use of aliphatic thiols for on-site derivatization and gas chromatographic identification of Adamsite","authors":"T. Rozsypal","doi":"10.2298/jsc221207025r","DOIUrl":"https://doi.org/10.2298/jsc221207025r","url":null,"abstract":"The report describes the development of methods for rapid and simple identification of Adamsite in mobile laboratory conditions using a field gas chromatograph coupled with mass spectrometer. Adamsite is a chemical warfare agent with unique properties that cannot be analyzed without conversion to a volatile derivative. Derivatization procedures with 5 aliphatic thiols (ethanethiol, 1-propanethiol, 2-propanethiol, 1-butanethiol and 1-hexanethiol) were developed and compared. The retention characteristics of the derivatization products, peak characteristics and the formation of unwanted artifacts in the chromatograms were monitored. The influence of the reaction media and the time dependence of the reaction were also objects of interest. Other investigated parameters were the optimal reaction temperature and the volume of the derivatization agent. Mass spectra of newly created substances that are not yet included in the chemical weapons related databases were recorded. With optimal reagents (1-butanethiol and 1-hexanethiol), calibration procedures for analyte determination were subsequently developed, and the methods were verified during the Adamsite identification test in selected environmental and urban matrices.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":null,"pages":null},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68516333","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}
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":null,"pages":null},"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":null,"pages":null},"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":null,"pages":null},"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}
Herbicides have implied disastrous consequences towards the environment and human health. This practice urges scientists to investigate the physical, chemical and biological properties of these substances, hence avoiding the use of the most harmful pesticides. For this purpose, the molecular structure and chemical bonding properties of phenylurea herbicides namely: Fenuron (L1), Monuron (L2), Diuron (L3) and Chlorotoluron (L4), were calculated in water using density functional theory (DFT). The energy decomposition analysis (EDA) and the extended transition state natural orbitals for chemical Valence (ETS-NOCV) reveal the dominant ionic character in Carbon-Nitrogen bond between dimethylurea fragment and benzene ring. Besides, the interaction of these herbicides with the Human Serum Albumin (HSA) was undertaken by molecular modeling. The calculation of HOMA and FLU indexes indicate that the electronic delocalization is stronger in Diuron than the other compounds, mainly caused by the two chloro substituents effects on benzene. Good correlations are found between the calculated parameters such as structural parameters, Mulliken atomic charge, topological and bonding properties and aromaticity indexes. The Vinardo molecular docking results suggest that, the binding energies of the complexes formed between HSA target and investigated compounds have the following order: L3 (-27.57 kJ/mol) < L2 (-25.56 kJ/mol) < L4 (-24.94 kJ/mol) < L1 (-24.10 kJ/mol), which confirmed that the Fenuron is the less harmful option between the studied herbicides especially against HSA.
{"title":"A DFT study of the chemical bonding properties, aromaticity indexes and molecular docking study of some phenylureas herbicides","authors":"Souhila Laib, Saad Bouchekioua, Rafik Menacer","doi":"10.2298/jsc230712085l","DOIUrl":"https://doi.org/10.2298/jsc230712085l","url":null,"abstract":"Herbicides have implied disastrous consequences towards the environment and human health. This practice urges scientists to investigate the physical, chemical and biological properties of these substances, hence avoiding the use of the most harmful pesticides. For this purpose, the molecular structure and chemical bonding properties of phenylurea herbicides namely: Fenuron (L1), Monuron (L2), Diuron (L3) and Chlorotoluron (L4), were calculated in water using density functional theory (DFT). The energy decomposition analysis (EDA) and the extended transition state natural orbitals for chemical Valence (ETS-NOCV) reveal the dominant ionic character in Carbon-Nitrogen bond between dimethylurea fragment and benzene ring. Besides, the interaction of these herbicides with the Human Serum Albumin (HSA) was undertaken by molecular modeling. The calculation of HOMA and FLU indexes indicate that the electronic delocalization is stronger in Diuron than the other compounds, mainly caused by the two chloro substituents effects on benzene. Good correlations are found between the calculated parameters such as structural parameters, Mulliken atomic charge, topological and bonding properties and aromaticity indexes. The Vinardo molecular docking results suggest that, the binding energies of the complexes formed between HSA target and investigated compounds have the following order: L3 (-27.57 kJ/mol) < L2 (-25.56 kJ/mol) < L4 (-24.94 kJ/mol) < L1 (-24.10 kJ/mol), which confirmed that the Fenuron is the less harmful option between the studied herbicides especially against HSA.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135263013","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}
Lidija Kosychova, Lina Rekovic, Irina Bratkovskaja, Ingrida Radveikiene, Regina Vidziūnaitė
Oxidation of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine oximes catalysed by horseradish peroxidase (HRP) and recombinant Coprinus cinereus peroxidase (rCiP) was studied spectrophotometrically. The reaction rate dependences on the substrate and hydrogen peroxide concentrations were investigated; the values of apparent KM and Vmax, catalytic, oxidation and reduction constants (kcat, kox and kred, respectively) were calculated. The reactivity constants for the reactions catalysed by rCiP were higher than those for the HRP. Since oximes can have different structures depending on pH, the influence of pH on the rate of oxidation of compounds was studied. The dependences of the oxidation rate of the investigated oximes on the pH of the buffer solution were determined, and the pKa values of the amino acids of peroxidases responsible for the rate of catalysis were obtained. The HRP activity dependence on pH has a classical bell-shaped character, while rCiP dependence has a complex character.
{"title":"Oxidation of 1,5-benzodiazepine oximes catalysed by peroxidases","authors":"Lidija Kosychova, Lina Rekovic, Irina Bratkovskaja, Ingrida Radveikiene, Regina Vidziūnaitė","doi":"10.2298/jsc230520068k","DOIUrl":"https://doi.org/10.2298/jsc230520068k","url":null,"abstract":"Oxidation of 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine oximes catalysed by horseradish peroxidase (HRP) and recombinant Coprinus cinereus peroxidase (rCiP) was studied spectrophotometrically. The reaction rate dependences on the substrate and hydrogen peroxide concentrations were investigated; the values of apparent KM and Vmax, catalytic, oxidation and reduction constants (kcat, kox and kred, respectively) were calculated. The reactivity constants for the reactions catalysed by rCiP were higher than those for the HRP. Since oximes can have different structures depending on pH, the influence of pH on the rate of oxidation of compounds was studied. The dependences of the oxidation rate of the investigated oximes on the pH of the buffer solution were determined, and the pKa values of the amino acids of peroxidases responsible for the rate of catalysis were obtained. The HRP activity dependence on pH has a classical bell-shaped character, while rCiP dependence has a complex character.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135595758","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}
Vladimir Arion, Oleg Palamarciuc, Sergiu Shova, Ghenadie Novitchi, Peter Rapta
The main aims of this work were the synthesis and characterization of iron(III) complexes with with a ditopic ligand H2L consisting of a bis(salicylidene)isothiosemicarbazide moiety with a N2O2 binding site and a crown-ether (O6) moiety. A series of high-spin iron(III) complexes, i.e. [FeIIILClBa(CH3OH)(H2O)0.5(ZnCl4)] (1), [FeIIILCl] (2), [FeIIIL(N3)] (3) and [(FeIIIL)2O] (4), were synthesized. The complexes were characterized by mass spectrometry, IR and UV-vis spectroscopy, variable temperature (VT) magnetic susceptibility measurements, M?ssbauer spectroscopy, single crystal X-ray diffraction and cyclic voltammetry.
{"title":"Iron(III) complexes with ditopic macrocycles bearing crown-ether and bis(salicylidene) isothiosemicarbazide moieties","authors":"Vladimir Arion, Oleg Palamarciuc, Sergiu Shova, Ghenadie Novitchi, Peter Rapta","doi":"10.2298/jsc230607065a","DOIUrl":"https://doi.org/10.2298/jsc230607065a","url":null,"abstract":"The main aims of this work were the synthesis and characterization of iron(III) complexes with with a ditopic ligand H2L consisting of a bis(salicylidene)isothiosemicarbazide moiety with a N2O2 binding site and a crown-ether (O6) moiety. A series of high-spin iron(III) complexes, i.e. [FeIIILClBa(CH3OH)(H2O)0.5(ZnCl4)] (1), [FeIIILCl] (2), [FeIIIL(N3)] (3) and [(FeIIIL)2O] (4), were synthesized. The complexes were characterized by mass spectrometry, IR and UV-vis spectroscopy, variable temperature (VT) magnetic susceptibility measurements, M?ssbauer spectroscopy, single crystal X-ray diffraction and cyclic voltammetry.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135550600","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}
This study reports the successful synthesis and characterization of a uranyl nicotinate compound, UO2(C6H4NO2)2?0.25H2O. The compound was synthesized using a Metal 1:2 Ligand ratio and water as the solvent. The average yield of the compound was found to be 67%. Thermogravimetric analysis revealed multiple stages of mass loss, including dehydration, nitrogen decomposition, and UO22+ reduction. Fourier-transform infrared spectroscopy confirmed the coordination of the carboxylate group in the compound. Field emission gun scanning electron microscope analysis showed particles with a regular oval shape. Energy-dispersive X-ray spectroscopy provided semi-quantitative data on the elemental composition of the compound. The major elements identified were uranium, carbon, oxygen, and nitrogen. These results contribute to understanding the compound's synthesis, thermal behavior, molecular composition, particle morphology, and elemental composition. Further research can build upon these findings to explore potential applications and develop new compounds with tailored properties
{"title":"Exploring the properties of uranyl nicotinate: Synthesis, characterization, and thermal analysis","authors":"Assis de, Carvalho de, Colman Denck","doi":"10.2298/jsc230817071a","DOIUrl":"https://doi.org/10.2298/jsc230817071a","url":null,"abstract":"This study reports the successful synthesis and characterization of a uranyl nicotinate compound, UO2(C6H4NO2)2?0.25H2O. The compound was synthesized using a Metal 1:2 Ligand ratio and water as the solvent. The average yield of the compound was found to be 67%. Thermogravimetric analysis revealed multiple stages of mass loss, including dehydration, nitrogen decomposition, and UO22+ reduction. Fourier-transform infrared spectroscopy confirmed the coordination of the carboxylate group in the compound. Field emission gun scanning electron microscope analysis showed particles with a regular oval shape. Energy-dispersive X-ray spectroscopy provided semi-quantitative data on the elemental composition of the compound. The major elements identified were uranium, carbon, oxygen, and nitrogen. These results contribute to understanding the compound's synthesis, thermal behavior, molecular composition, particle morphology, and elemental composition. Further research can build upon these findings to explore potential applications and develop new compounds with tailored properties","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135700837","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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