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Stabilization of dioxochromium(VI) in the complex with tetra[benzo]porphyrazine and two oxo ligands: DFT quantum-chemical consideration 四[苯并]卟啉和两个氧配体配合物中二氧铬(VI)的稳定性:DFT量子化学的考虑
European Chemical Bulletin Pub Date : 2020-11-25 DOI: 10.17628/ecb.2020.9.416-419
O. Mikhailov, D. Chachkov
{"title":"Stabilization of dioxochromium(VI) in the complex with tetra[benzo]porphyrazine and two oxo ligands: DFT quantum-chemical consideration","authors":"O. Mikhailov, D. Chachkov","doi":"10.17628/ecb.2020.9.416-419","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.416-419","url":null,"abstract":"Based on the results of a quantum chemical consideration in the framework of DFT OPBE/TZVP and B3PW91/TZVP methods, the possibility of the self-existence of a chromium heteroligand complex with (NNNN)-donor macrocyclic ligand – tetra[benzo]porphyrazine and two oxo ligands where chromium oxidation degree is (+6), have been shown. The data on the key structural parameters and also, on multiplicity of the ground state of the given macrocyclic metal complex have also been presented.","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46507970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Synthesis, molecular docking and anti-inflammatory activity 2,4-dimethyl-N-(2-aryl)-3-furamides 2,4-二甲基-N-（2-芳基）-3-呋喃酰胺的合成、分子对接及抗炎活性
European Chemical Bulletin Pub Date : 2020-11-22 DOI: 10.17628/ecb.2020.9.410-415
Y. Matiichuk, Y. Horak, T. Chaban, V. Ogurtsov, L. Kostyshyn, V. Matiychuk
{"title":"Synthesis, molecular docking and anti-inflammatory activity 2,4-dimethyl-N-(2-aryl)-3-furamides","authors":"Y. Matiichuk, Y. Horak, T. Chaban, V. Ogurtsov, L. Kostyshyn, V. Matiychuk","doi":"10.17628/ecb.2020.9.410-415","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.410-415","url":null,"abstract":"2,4-Dimethyl-N-aryl-3-furamides were synthesized by the reaction of 2,4-dimethyl-furan-3-carbonyl chloride with aromatic amines in dry dioxane in the presence of triethylamine. The structures of the obtained substances were confirmed by 1H NMR spectroscopy and elemental analysis. The synthesized compounds were preselected via molecular docking to be tested for their anti-inflammatory activity. The anti-inflammatory effect of the prepared compounds was investigated applying the carrageenan-induced paw edema model. The results have shown that the some novel furamides demonstrated considerable anti-inflammatory effect.","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"410"},"PeriodicalIF":0.0,"publicationDate":"2020-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46156662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, thermal stability and kinetic studies of copper(II) and cobalt(II) complexes derived from 4-aminobenzohydrazide and 2-mercaptobenzothiazole 4-氨基苯甲酰肼和2-巯基苯并噻唑铜（II）和钴（II）配合物的合成、热稳定性和动力学研究
European Chemical Bulletin Pub Date : 2020-11-11 DOI: 10.17628/ecb.2020.9.403-409
Maged S. Al-Fakeh
{"title":"Synthesis, thermal stability and kinetic studies of copper(II) and cobalt(II) complexes derived from 4-aminobenzohydrazide and 2-mercaptobenzothiazole","authors":"Maged S. Al-Fakeh","doi":"10.17628/ecb.2020.9.403-409","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.403-409","url":null,"abstract":"The divalent transition metal ions Cu (II) and Co (II) compounds of the formula; [ M(ABZH)(MBTH)Cl 2 (H 2 O) 2 ], (M = Cu (II) and Co (ІІ), ABZH=4-Aminobenzohydrazide (L1) and MBTH = 2-mercaptobenzthiazole (L2) have been synthesized and characterized. The two compounds has been designated based on elemental analysis, electronic spectral analysis, FT-IR , magnetic measurements and XRD. The thermal properties of copper(II) and cobalt(II) metal compounds in dynamic air have been analyzed via thermogravimetry(TG), and differential thermogravimetry(DTG). The kinetic analyses of the thermal decomposition for the two compounds were calculated by the Coats.Redfern and Horowitz.Metzger methods. The obtained kinetic parameters, display the kinetic compensation effect(KCE).","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"403-409"},"PeriodicalIF":0.0,"publicationDate":"2020-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49232827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
Hazardous elements in aqueous leachates of coal fly ash around thermal power plants disposal area 火电厂处理区附近粉煤灰水浸出物中的有害元素
European Chemical Bulletin Pub Date : 2020-10-28 DOI: 10.17628/ecb.2020.9.360-365
Shyoraj Singh, N. Singh, R. Rani
{"title":"Hazardous elements in aqueous leachates of coal fly ash around thermal power plants disposal area","authors":"Shyoraj Singh, N. Singh, R. Rani","doi":"10.17628/ecb.2020.9.360-365","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.360-365","url":null,"abstract":"The fossils fuels are main resources of energy worldwide. Huge production of coal fly ash creates water and air pollution. Coal fly ash generally contains trace toxic metals like Ni, Hg, As, Cr, Cd, Ba, Mn, and Pb etc., so coal fly ash is considered as an environmental hazard worldwide. These toxic elements leached from coal fly ash into soil and water which contaminate soil, ground water and other water sources. In present paper is the study of water samples collected from different locations near fly ash disposal area. We found that the water samples contain hazardous trace metals in concentration higher than the permissible limits of drinking water standard. Coal fly ash and other constituents which are generated from coal can create harmful effect on environment, society, health and life. A better method is required to disposal of coal fly ash generated from thermal power plant in India to stop contamination of environment as it is a matter of great concern to human health.","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"360"},"PeriodicalIF":0.0,"publicationDate":"2020-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42251973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
Degradation kinetics of carbofuran insecticide in tomato fruits 呋喃杀虫剂在番茄果实中的降解动力学
European Chemical Bulletin Pub Date : 2020-10-20 DOI: 10.17628/ecb.2020.9.355-359
Malik Abdalla Abdelrahman Elsheikh
{"title":"Degradation kinetics of carbofuran insecticide in tomato fruits","authors":"Malik Abdalla Abdelrahman Elsheikh","doi":"10.17628/ecb.2020.9.355-359","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.355-359","url":null,"abstract":"The degradation rate and kinetic parameters of carbofuran insecticide in tomato fruits were calculated. The degradation of carbofuran was found to follow first-order reaction kinetics. The rate constants for carbofuran were 0.082 day-1 and 0.073 day-1 for the recommended application rate (10 kg feddan-1) and for the application rate used by farmers (13.5 kg feddan-1) respectively. The half-life time (t1/2) values for the recommended application rate and for the application rate used by farmers were 8.45 days and 9.50 days, respectively. The safe application time of carbofuran insecticide for the recommended application rate and for the application rate used by farmers were after 28 days and after 35 days , respectively. Spectrophotometry was employed to determine the carbofuran residues in tomato fruits, with a limit of detection (LOD) of 0.039 ppm and percent recovery in the range from 92.87 to 95.54%","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"355"},"PeriodicalIF":0.0,"publicationDate":"2020-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42524139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Electrochemical studies on the corrosion resistance of 18 K gold in artificial saliva, in the absence and presence of Gemer-2 tablet (orally taken by type 2 diabetes) 在Gemer-2片（2型糖尿病患者口服）存在和不存在的情况下，18K金在人工唾液中耐腐蚀性的电化学研究
European Chemical Bulletin Pub Date : 2020-10-09 DOI: 10.17628/ecb.2020.9.349-354
S. C. Joycee, K. Abiraami, M. Devi, K. Chithra, J. Vanisha, A. J. C. Mary, K. J. Emarancia, S. Priya, M. Kowsalya, A. L. Amalrani, M. Logeshwari, S. Rajendran
{"title":"Electrochemical studies on the corrosion resistance of 18 K gold in artificial saliva, in the absence and presence of Gemer-2 tablet (orally taken by type 2 diabetes)","authors":"S. C. Joycee, K. Abiraami, M. Devi, K. Chithra, J. Vanisha, A. J. C. Mary, K. J. Emarancia, S. Priya, M. Kowsalya, A. L. Amalrani, M. Logeshwari, S. Rajendran","doi":"10.17628/ecb.2020.9.349-354","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.349-354","url":null,"abstract":"The corrosion resistance of 18 K gold in artificial saliva, in the absence and presence of Gemer-2 Tablet (orally taken by type 2 Diabetes) has been evaluated by polarization study and AC impedance spectra. Polarisation study reveals that in the presence of Gemer-2, LPR value increases and corrosion current decreases. That is in presence of Gemer-2, the corrosion resistance of 18K Gold in artificial saliva increases. AC impedance study reveals that in the presence of Gemer-2, Rt value increases and Cdl decreases. That is in the presence of Gemer-2 the corrosion resistance of 18 K Gold in AS increases. It is concluded that people clipped with orthodontic wire made of 18K Gold need not hesitate to take Gemer-2 orally.","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"349"},"PeriodicalIF":0.0,"publicationDate":"2020-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47933471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
[BMIM] BF4: An efficient ionic liquid medium for one-pot of 1H-Imidazole-5(4H)-one derivatives [BMIM] BF4:一锅1h -咪唑-5(4H)- 1衍生物的高效离子液体介质
European Chemical Bulletin Pub Date : 2020-10-09 DOI: 10.17628/ecb.2020.9.345-348
V. Rani, Y. B. Kumari
{"title":"[BMIM] BF4: An efficient ionic liquid medium for one-pot of 1H-Imidazole-5(4H)-one derivatives","authors":"V. Rani, Y. B. Kumari","doi":"10.17628/ecb.2020.9.345-348","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.345-348","url":null,"abstract":"The environment-friendly one-pot condensation reaction of (Z)-4-benzylidene-2-methyloxazol-5(4H)-one with phenylhydrazine and (phenyliminomethyl)benzene in the presence of [BMIM]BF4 as medium at 80-85 oC for 1-1.5 h to form 4-(benzylidene/substituted benzylidene)-N-aryl amino-2-(styryl/substituted styryl)-1H-imidazole-5(4H)-one compounds with good yields. The main advantages of this method are short reaction time, easy workup and good yields.","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"345"},"PeriodicalIF":0.0,"publicationDate":"2020-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47422353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
The peculiarities of the 4-carboxyphenylglyoxal and N-alkoxy-N’-arylureas interaction 4-羧基苯乙二醛和n -烷氧基- n ' -芳基脲相互作用的特性
European Chemical Bulletin Pub Date : 2020-09-05 DOI: 10.17628/ecb.2020.9.339-344
V. G. Shtamburg, V. Shtamburg, A. A. Anishchenko, A. Mazepa
{"title":"The peculiarities of the 4-carboxyphenylglyoxal and N-alkoxy-N’-arylureas interaction","authors":"V. G. Shtamburg, V. Shtamburg, A. A. Anishchenko, A. Mazepa","doi":"10.17628/ecb.2020.9.339-344","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.339-344","url":null,"abstract":"It was found that 3-alkoxy-4,5-dihydroxyimidazolidin-2-ones are the only products of interaction of N-alkoxyureas with arylglyoxals which have strong electronegative substituent in the forth position of the aryl moiety. The possibility of obtaining such products as 3-alkoxy-1aryl-5-(4-carboxyphenyl)-4,5-dihydroxyimidazolidin-2-ones, 3-alkoxy-1-alkyl-5-(4-carboxyphenyl)-4,5-dihydroxyimidazolidin-2-ones and 3-alkoxy-1-phenyl-4,5-dihydroxy-5-(4-nitrophenyl)-imidazolidin-2-ones has been verified in the experimental way. In most the cases 3alkoxy-4,5-dihydroxyimidazolidin-2-ones were produced as a mixture of diastereomers.","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"339"},"PeriodicalIF":0.0,"publicationDate":"2020-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47409404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
pH effect on structural, morphological and optical properties of ZnO thin films produced by Chemical Bath Deposition method pH对化学浴沉积法制备ZnO薄膜结构、形貌和光学性能的影响
European Chemical Bulletin Pub Date : 2020-08-20 DOI: 10.17628/ecb.2020.9.335-338
M. F. Gözükızıl
{"title":"pH effect on structural, morphological and optical properties of ZnO thin films produced by Chemical Bath Deposition method","authors":"M. F. Gözükızıl","doi":"10.17628/ecb.2020.9.335-338","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.335-338","url":null,"abstract":"Zinc oxide (ZnO) thin films are widely used in the production of high value-added technological products such as photovoltic cells, sensors, flexible and wearable electronic materials, as they are abundant in nature, easy to process, low cost and can be produced with different methods. The Chemical Bath Deposition method is preferred in the production of metal oxide thin films by changing the parameters such as pH, temperature and concentration by immersing the various substrates into the prepared solution without the need for a vacuum environment. In this study, ZnO thin films were grown on glass substrates by chemical bath deposition method. The effects of pH on the structural, morphological and optical properties of the obtained films were investigated using X-ray diffraction (XRD) method, Field Emission Scanning Electron Microscopy (FESEM) and UV-Vis Spectrophotometry respectively. It was observed that the optimum film formation took place in the Z3 series at pH 10.","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"335"},"PeriodicalIF":0.0,"publicationDate":"2020-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46874572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 11
DFT study on the relative stability of isomeric macrocyclic metal chelates of divalent 4D-element ions with tetradentate (NSSN)- and (NNNN)- “template” ligands 四齿(NSSN)-和(NNNN)-“模板”配体对二价4d元素离子大环金属螯合物相对稳定性的DFT研究
European Chemical Bulletin Pub Date : 2020-08-15 DOI: 10.17628/ecb.2020.9.329-334
D. Chachkov, O. Mikhailov
{"title":"DFT study on the relative stability of isomeric macrocyclic metal chelates of divalent 4D-element ions with tetradentate (NSSN)- and (NNNN)- “template” ligands","authors":"D. Chachkov, O. Mikhailov","doi":"10.17628/ecb.2020.9.329-334","DOIUrl":"https://doi.org/10.17628/ecb.2020.9.329-334","url":null,"abstract":"Using the density functional method (DFT) in the OPBE/TZVP//QZP approximation and the Gaussian09 program, geometric parameters and total energies of molecular structures of the Mo(II), Tc(II), Ru(II), Rh(II), Pd(II), Ag(II) and Cd(II) macrotricyclic complexes with (NSSN)and (NNNN)-coordinations of the ligand donor centers to the complex, arising as a result of complexing between M(II) indicated above, dithiooxamide H2N–C(= S)–C(= S)–NH2 and glyoxal HC(=O)–CH (=O), were calculated. Based on the data of this calculation, it is shown that in the case of Mo(II), Tc(II), Ru(II), Rh(II) and Pd (II) complexes with (NSSN)-coordination of ligand are more stable, whereas in the case of Ag(II) and Cd(II), with (NNNN)-coordination; in addition, for the Mo(II) and Ru(II) complexes, a pseudo-tetrahedral environment of the central metal ion takes place by donor atoms, while for the complexes Tc(II), Rh(II), Pd(II), Ag(II), and Cd(II) are planar ones. The bond lengths and bond angles in the indicated coordination compounds are given and it is noted that the Ag(II) and Cd(II) complexes are almost flat, the Tc(II), Rh(II), and Pd(II) complexes are small, while the Ru(II), a fairly significant deviation from coplanarity. The five-membered metal chelate cycles formed as a result of complexing, in most of these complexes are either practically flat, or exhibit a slight (within 5°) deviation from coplanarity; the only exceptions are the Mo(II) and Ru(II) complexes.","PeriodicalId":11880,"journal":{"name":"European Chemical Bulletin","volume":"9 1","pages":"329"},"PeriodicalIF":0.0,"publicationDate":"2020-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48524399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
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