Pub Date : 2023-03-31DOI: 10.5155/eurjchem.14.1.65-71.2367
A. Nejres, Moath Abdallah Najem
A new fast and simple selective method for the simultaneous determination of lisinopril dihydrate and amlodipine in combined drugs was developed using the fourth derivative spectrum method, based on the zero-crossing-point technique for the determination of compounds in drugs. The wavelength values for lisinopril dihydrate and amlodipine in solvent medium were found to be (203, 207, and 231 nm) and (215, 254, and 277 nm), respectively, with the average obeying Beer’s law in the range of lisinopril dihydrate 2.0 to 45.0 µg/mL and amlodipine 2.0 to 35.0 µg/mL. Lisinopril dihydrate has molar absorptivity regions (9227.76-11700.28 L/mol.cm, 203 nm), (15320.74-20795.59 L/mol.cm, 207 nm), and (2207.60-3311.40 L/mol.cm, 231 nm), while amlodipine (5886.72-10914.96 L/mol.cm, 215 nm), (5518.8-6418.16 L/mol.cm, 254 nm) and (1676.08-1921.36 L/mol.cm, 277 nm). The recovery rate of lisinopril dihydrate in the pharmaceutical dosage forms range was 95.13 to 102.60% and amlodipine 95.14 to 102.80%. The results of the relative error showed that the interferences did not affect the method of estimating these compounds. The proposed method has been successfully applied to estimate pharmaceutical dosage forms.
{"title":"Simultaneous determination of amlodipine and lisinopril dihydrate using fourth derivative spectroscopy","authors":"A. Nejres, Moath Abdallah Najem","doi":"10.5155/eurjchem.14.1.65-71.2367","DOIUrl":"https://doi.org/10.5155/eurjchem.14.1.65-71.2367","url":null,"abstract":"A new fast and simple selective method for the simultaneous determination of lisinopril dihydrate and amlodipine in combined drugs was developed using the fourth derivative spectrum method, based on the zero-crossing-point technique for the determination of compounds in drugs. The wavelength values for lisinopril dihydrate and amlodipine in solvent medium were found to be (203, 207, and 231 nm) and (215, 254, and 277 nm), respectively, with the average obeying Beer’s law in the range of lisinopril dihydrate 2.0 to 45.0 µg/mL and amlodipine 2.0 to 35.0 µg/mL. Lisinopril dihydrate has molar absorptivity regions (9227.76-11700.28 L/mol.cm, 203 nm), (15320.74-20795.59 L/mol.cm, 207 nm), and (2207.60-3311.40 L/mol.cm, 231 nm), while amlodipine (5886.72-10914.96 L/mol.cm, 215 nm), (5518.8-6418.16 L/mol.cm, 254 nm) and (1676.08-1921.36 L/mol.cm, 277 nm). The recovery rate of lisinopril dihydrate in the pharmaceutical dosage forms range was 95.13 to 102.60% and amlodipine 95.14 to 102.80%. The results of the relative error showed that the interferences did not affect the method of estimating these compounds. The proposed method has been successfully applied to estimate pharmaceutical dosage forms.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47117554","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 : 2022-12-31DOI: 10.5155/eurjchem.13.4.381-386.2299
H. Dezhampanah, H. Jalali
Kinetic Monte Carlo modeling was employed to investigate the kinetics and photodecomposition mechanism of sulfamethazine, ciprofloxacin, sulfathiazole, and amoxicillin antibiotics by the photo-Fenton process (iron(III) citrate/hydrogen peroxide in the presence of UV irradiation). The reaction kinetic mechanisms of each photo-Fenton degradation mentioned above have been achieved. The rate constants values for each step of the reaction mechanisms (including photo-Fenton process of antibiotics) were obtained as adjustable parameters by kinetic Monte Carlo simulation. The optimized values of iron(III) citrate and hydrogen peroxide were investigated through the obtaining the effect of their initial amounts on the rate of antibiotic elimination utilizing kinetic Monte Carlo simulation. The perfect agreement is observed between the simulation results and the experimental photo-Fenton data for the systems above.
{"title":"Kinetically simulation of photo-Fenton process in removal of sulfamethazine, ciprofloxacin, sulfathiazole and amoxicillin by Monte Carlo modeling","authors":"H. Dezhampanah, H. Jalali","doi":"10.5155/eurjchem.13.4.381-386.2299","DOIUrl":"https://doi.org/10.5155/eurjchem.13.4.381-386.2299","url":null,"abstract":"Kinetic Monte Carlo modeling was employed to investigate the kinetics and photodecomposition mechanism of sulfamethazine, ciprofloxacin, sulfathiazole, and amoxicillin antibiotics by the photo-Fenton process (iron(III) citrate/hydrogen peroxide in the presence of UV irradiation). The reaction kinetic mechanisms of each photo-Fenton degradation mentioned above have been achieved. The rate constants values for each step of the reaction mechanisms (including photo-Fenton process of antibiotics) were obtained as adjustable parameters by kinetic Monte Carlo simulation. The optimized values of iron(III) citrate and hydrogen peroxide were investigated through the obtaining the effect of their initial amounts on the rate of antibiotic elimination utilizing kinetic Monte Carlo simulation. The perfect agreement is observed between the simulation results and the experimental photo-Fenton data for the systems above.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48626615","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 : 2022-12-31DOI: 10.5155/eurjchem.13.4.451-459.2323
Z. Mahmood, S. Zahra, Izza Ijaz
The biosorption of hexavalent chromium ions from aqueous solution was investigated using acid-modified dead biomass of the abundantly available brown marine alga Cystoseira indica from Karachi coastal area of Pakistan. The biosorbent was characterized by infrared spectroscopy and scanning electron microscopy. The optimum biosorption conditions, i.e., biosorbent dosage, contact time, initial metal ion concentration, pH, and temperature, were determined by carrying out batch-mode experiments. The sorption behavior was established by the Langmuir and Freundlich isotherms, which showed that although the uptake of metals was more feasible on a heterogeneous surface, homogeneous surface conditions seemed to exist at the same time. The thermodynamic parameters ∆G°, ∆H° and ∆S° calculated at different temperatures ranging from 298 to 318 K demonstrated that the biosorption was a spontaneous and exothermic process under the experimental conditions applied.
{"title":"Adsorption studies of hexavalent chromium ions on the dead biomass of Cystoseira indica","authors":"Z. Mahmood, S. Zahra, Izza Ijaz","doi":"10.5155/eurjchem.13.4.451-459.2323","DOIUrl":"https://doi.org/10.5155/eurjchem.13.4.451-459.2323","url":null,"abstract":"The biosorption of hexavalent chromium ions from aqueous solution was investigated using acid-modified dead biomass of the abundantly available brown marine alga Cystoseira indica from Karachi coastal area of Pakistan. The biosorbent was characterized by infrared spectroscopy and scanning electron microscopy. The optimum biosorption conditions, i.e., biosorbent dosage, contact time, initial metal ion concentration, pH, and temperature, were determined by carrying out batch-mode experiments. The sorption behavior was established by the Langmuir and Freundlich isotherms, which showed that although the uptake of metals was more feasible on a heterogeneous surface, homogeneous surface conditions seemed to exist at the same time. The thermodynamic parameters ∆G°, ∆H° and ∆S° calculated at different temperatures ranging from 298 to 318 K demonstrated that the biosorption was a spontaneous and exothermic process under the experimental conditions applied.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47237894","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 : 2022-12-31DOI: 10.5155/eurjchem.13.4.440-450.2303
Suganya Murugan, Prasanth Gunasekaran, J. Nehru, Anaglit Catherine Paul, N. Dege, E. Çınar, S. Kavitha, K. Balasubramani, K. Thanigaimani, V. Rajakannan, M. Hemamalini
In this work, N-(2-methoxy-benzyl)-acetamide (2MBA) was synthesized from an amide derivative and it was characterized by FT-IR and NMR spectroscopy techniques. The crystal structure of 2MBA was also validated via single-crystal X-ray diffraction analysis. Crystal data for C10H13NO2 for 2MBA: Monoclinic, space group P21/n (no. 14), a = 9.1264(6) Å, b = 9.3375(7) Å, c = 11.9385(8) Å, β = 95.745(5)°, V = 1012.26(12) Å3, Z = 4, μ(MoKα) = 0.082 mm-1, Dcalc = 1.176 g/cm3, 5632 reflections measured (5.368° ≤ 2Θ ≤ 51.992°), 1990 unique (Rint = 0.0377, Rsigma = 0.0314) which were used in all calculations. The final R1 was 0.0583 (I > 2σ(I)) and wR2 was 0.1444 (all data). The intermolecular interactions in 2MBA were theoretically examined by Hirshfeld surface analysis and 2D fingerprint plots. Moreover, the HOMO and LUMO energy gaps of 2MBA was calculated by DFT calculation with the B3LYP/6-311G++(d,p) method. The electron-withdrawing and donating sites of the 2MBA were confirmed via molecular electrostatic potential surface analysis. The present study discusses the title compound not only highlighted the crystallographic data but also revealed good molecular interactions together with an anticancer drug target, which is a targeting PARP protein, which was an important drug target in the treatment of breast cancer.
{"title":"Crystal structure, in silico molecular docking, DFT analysis and ADMET studies of N-(2-methoxy-benzyl)-acetamide","authors":"Suganya Murugan, Prasanth Gunasekaran, J. Nehru, Anaglit Catherine Paul, N. Dege, E. Çınar, S. Kavitha, K. Balasubramani, K. Thanigaimani, V. Rajakannan, M. Hemamalini","doi":"10.5155/eurjchem.13.4.440-450.2303","DOIUrl":"https://doi.org/10.5155/eurjchem.13.4.440-450.2303","url":null,"abstract":"In this work, N-(2-methoxy-benzyl)-acetamide (2MBA) was synthesized from an amide derivative and it was characterized by FT-IR and NMR spectroscopy techniques. The crystal structure of 2MBA was also validated via single-crystal X-ray diffraction analysis. Crystal data for C10H13NO2 for 2MBA: Monoclinic, space group P21/n (no. 14), a = 9.1264(6) Å, b = 9.3375(7) Å, c = 11.9385(8) Å, β = 95.745(5)°, V = 1012.26(12) Å3, Z = 4, μ(MoKα) = 0.082 mm-1, Dcalc = 1.176 g/cm3, 5632 reflections measured (5.368° ≤ 2Θ ≤ 51.992°), 1990 unique (Rint = 0.0377, Rsigma = 0.0314) which were used in all calculations. The final R1 was 0.0583 (I > 2σ(I)) and wR2 was 0.1444 (all data). The intermolecular interactions in 2MBA were theoretically examined by Hirshfeld surface analysis and 2D fingerprint plots. Moreover, the HOMO and LUMO energy gaps of 2MBA was calculated by DFT calculation with the B3LYP/6-311G++(d,p) method. The electron-withdrawing and donating sites of the 2MBA were confirmed via molecular electrostatic potential surface analysis. The present study discusses the title compound not only highlighted the crystallographic data but also revealed good molecular interactions together with an anticancer drug target, which is a targeting PARP protein, which was an important drug target in the treatment of breast cancer.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41387821","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 : 2022-12-31DOI: 10.5155/eurjchem.13.4.393-401.2318
Samit Pramanik, S. Mukhopadhyay, K. Das
A new binuclear copper (II) complex [Cu2L2Cl4(H2O)2] (1) derived from 4,4',6,6'-tetramethyl-2,2'-bipyrimidine (L) has been synthesized and characterized by the single crystal X-ray diffraction method. Single crystal analysis of complex 1 reveals that it crystallizes in the space group P21/n under a monoclinic system (β = 97.995(2)°, a = 7.6483(2), b = 7.2158(3) and c = 17.8477(6) Å). The ligand acts as a bis-bidentate one and each copper (II) center bears a square pyramidal geometry exploiting N2Cl2O chromophore. In the solid state, the complex is stabilized through classical O-H···Cl intermolecular hydrogen bonding incorporating coordinated water (as a solvent) and chloride ions and lone pair···π interactions. The Hirshfeld surface analysis demonstrates H···H/H···H, H···Cl/Cl···H, H···C/C···H, and C···Cl/Cl···C intermolecular interactions as the major contributor interactions in the solid-state packing of the molecular crystal. Interaction energy calculations carried out employing the wavefunction generated via B3LYP/6-31G(d,p) highlight the dominance of electrostatic energy and the contribution of polarization and dispersion energy towards the total energy of complex 1 in the solid state.
{"title":"Rationalization of supramolecular interactions of a newly synthesized binuclear Cu(II) complex derived from 4,4′,6,6′-tetramethyl 2,2′-bipyrimidine ligand through Hirshfeld surface analysis","authors":"Samit Pramanik, S. Mukhopadhyay, K. Das","doi":"10.5155/eurjchem.13.4.393-401.2318","DOIUrl":"https://doi.org/10.5155/eurjchem.13.4.393-401.2318","url":null,"abstract":"A new binuclear copper (II) complex [Cu2L2Cl4(H2O)2] (1) derived from 4,4',6,6'-tetramethyl-2,2'-bipyrimidine (L) has been synthesized and characterized by the single crystal X-ray diffraction method. Single crystal analysis of complex 1 reveals that it crystallizes in the space group P21/n under a monoclinic system (β = 97.995(2)°, a = 7.6483(2), b = 7.2158(3) and c = 17.8477(6) Å). The ligand acts as a bis-bidentate one and each copper (II) center bears a square pyramidal geometry exploiting N2Cl2O chromophore. In the solid state, the complex is stabilized through classical O-H···Cl intermolecular hydrogen bonding incorporating coordinated water (as a solvent) and chloride ions and lone pair···π interactions. The Hirshfeld surface analysis demonstrates H···H/H···H, H···Cl/Cl···H, H···C/C···H, and C···Cl/Cl···C intermolecular interactions as the major contributor interactions in the solid-state packing of the molecular crystal. Interaction energy calculations carried out employing the wavefunction generated via B3LYP/6-31G(d,p) highlight the dominance of electrostatic energy and the contribution of polarization and dispersion energy towards the total energy of complex 1 in the solid state.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48293945","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 : 2022-12-31DOI: 10.5155/eurjchem.13.4.415-425.2337
Gajanan Mahadu Dongare, A. Aswar
A new heterocyclic hydrazone Schiff base ligand, N'-(4-(diethylamino)-2-hydroxy benzylidene)-4-oxopiperidine-1-carbohydrazide, (H2L) was derived by a condensation reaction of 4-oxopiperidine-1-carbohydrazide with 4-(diethylamino)-2-hydroxybenz-aldehyde. The ligand reacts with chloride salts of chromium(III), manganese(II), iron(III), cobalt(II), nickel(II), copper(II) and zinc(II) to form metal complexes of [Cr(L)(Cl)(H2O)2], [Mn(HL)(Cl)(H2O)2], [Fe(L)(Cl)(H2O)2], [Co(HL)(Cl)(H2O)2], [Ni(HL)(Cl)(H2O)2], [Cu(HL)(Cl) (H2O)2], [Zn(L)(H2O)], respectively. The structure of the hydrazone ligand was confirmed by elemental analysis and spectroscopic techniques, viz., FT-IR, 1H NMR, 13C NMR, and LC-MS spectroscopy. The newly synthesized ligand behaves as a tridentate ONO donor towards Cr, Mn, Fe, Co, Ni, Cu, and Zn metal ions. The spectral, magnetic moment, and thermal data indicate the octahedral geometry for all metal complexes except for Zn, which has tetrahedral geometry with 1:1 stoichiometry (M:L). ESR study revealed that π-bonding covalency is much stronger than the σ-bonding with axial distortion in the structure. The molar conductivity data suggested the nonelectrolytic nature of the complexes. The powder X-ray diffraction patterns suggest the nanocrystalline nature of the compounds. The SEM micrograph of the ligand significantly differs from its Ni(II) complex indicating coordination of Ni(II) ion to the ligand. The intense fluorescence emitted in the region of λExcitation 521 to 524 nm due to the functional fluorophores of the ligand and its manganese (II), chromium(III), cobalt(II), and zinc(II) complexes. Various kinetic parameters such as Ea, ∆S, ∆H, and ∆G of various decomposition steps were calculated from TGA diagrams using Coats-Redfern method and the thermal stability order was found to be Cr < Fe < Co < Mn = Cu < Zn < Ni. The antibacterial and antifungal activities of the ligand and its divalent and trivalent metal complexes were performed against the various pathogens viz. Escherichia coli, Salmonella typhi, Staphylococcus aureus, Bacillus subtilis, Candida albicans, and Aspergillus niger with reference to standard antibiotics viz. ofloxacin, azithromycin, and fluconazole. All metal complexes showed promising biological activity as compared with their parent ligand and may be used as a potential antimicrobial candidate in biological science.
由4-氧哌替啶-1-碳肼与4-(二乙胺)-2-羟基苯醛缩合反应，得到了新的杂环腙希夫碱配体N'-(4-(二乙胺)-2-羟基苄基)-4-氧哌替啶-1-碳肼(H2L)。配体与铬(III)、锰(II)、铁(III)、钴(II)、镍(II)、铜(II)和锌(II)等氯盐反应，分别形成[Cr(L)(Cl)(H2O)2]、[Mn(HL)(Cl)(H2O)2]、[Fe(L)(Cl)(H2O)2]、[Co(HL)(Cl)(H2O)2]、[Ni(HL)(Cl)(H2O)2]、[Cu(HL)(Cl) (H2O)2]、[Zn(L)(H2O)]等金属配合物。通过元素分析和光谱技术，即FT-IR, 1H NMR, 13C NMR和LC-MS谱，证实了腙配体的结构。新合成的配体对Cr, Mn, Fe, Co, Ni, Cu和Zn金属离子表现为三叉戟ONO供体。光谱、磁矩和热数据表明，除Zn外，所有金属配合物均为八面体，其化学计量比为1:1 (M:L)。ESR研究表明，结构中存在轴向畸变时，π键的共价比σ键的共价强得多。摩尔电导率数据表明配合物的非电解性质。粉末x射线衍射图显示了化合物的纳米晶体性质。配体的SEM显微照片与Ni(II)配合物有明显不同，表明Ni(II)离子与配体的配位。由于配体及其锰(II)、铬(III)、钴(II)和锌(II)配合物的功能荧光团，在λ激发521至524 nm区域发出强烈的荧光。利用Coats-Redfern法从TGA图中计算了各分解步骤的Ea、∆S、∆H、∆G等动力学参数，热稳定性顺序为Cr < Fe < Co < Mn = Cu < Zn < Ni。以氧氟沙星、阿奇霉素、氟康唑等标准抗生素为对照，研究了该配体及其二价和三价金属配合物对大肠杆菌、伤寒沙门氏菌、金黄色葡萄球菌、枯草芽孢杆菌、白色念珠菌、黑曲霉等病原菌的抑菌和抑菌活性。与母体配体相比，所有金属配合物都显示出良好的生物活性，可能成为生物科学中潜在的抗菌候选物。
{"title":"A heterocyclic N'-(4-(diethylamino)-2-hydroxybenzylidene)-4-oxopiperidine-1-carbohydrazide Schiff base ligand and its metal complexes: Synthesis, structural characterization, thermal behavior, fluorescence properties, and biological activities","authors":"Gajanan Mahadu Dongare, A. Aswar","doi":"10.5155/eurjchem.13.4.415-425.2337","DOIUrl":"https://doi.org/10.5155/eurjchem.13.4.415-425.2337","url":null,"abstract":"A new heterocyclic hydrazone Schiff base ligand, N'-(4-(diethylamino)-2-hydroxy benzylidene)-4-oxopiperidine-1-carbohydrazide, (H2L) was derived by a condensation reaction of 4-oxopiperidine-1-carbohydrazide with 4-(diethylamino)-2-hydroxybenz-aldehyde. The ligand reacts with chloride salts of chromium(III), manganese(II), iron(III), cobalt(II), nickel(II), copper(II) and zinc(II) to form metal complexes of [Cr(L)(Cl)(H2O)2], [Mn(HL)(Cl)(H2O)2], [Fe(L)(Cl)(H2O)2], [Co(HL)(Cl)(H2O)2], [Ni(HL)(Cl)(H2O)2], [Cu(HL)(Cl) (H2O)2], [Zn(L)(H2O)], respectively. The structure of the hydrazone ligand was confirmed by elemental analysis and spectroscopic techniques, viz., FT-IR, 1H NMR, 13C NMR, and LC-MS spectroscopy. The newly synthesized ligand behaves as a tridentate ONO donor towards Cr, Mn, Fe, Co, Ni, Cu, and Zn metal ions. The spectral, magnetic moment, and thermal data indicate the octahedral geometry for all metal complexes except for Zn, which has tetrahedral geometry with 1:1 stoichiometry (M:L). ESR study revealed that π-bonding covalency is much stronger than the σ-bonding with axial distortion in the structure. The molar conductivity data suggested the nonelectrolytic nature of the complexes. The powder X-ray diffraction patterns suggest the nanocrystalline nature of the compounds. The SEM micrograph of the ligand significantly differs from its Ni(II) complex indicating coordination of Ni(II) ion to the ligand. The intense fluorescence emitted in the region of λExcitation 521 to 524 nm due to the functional fluorophores of the ligand and its manganese (II), chromium(III), cobalt(II), and zinc(II) complexes. Various kinetic parameters such as Ea, ∆S, ∆H, and ∆G of various decomposition steps were calculated from TGA diagrams using Coats-Redfern method and the thermal stability order was found to be Cr < Fe < Co < Mn = Cu < Zn < Ni. The antibacterial and antifungal activities of the ligand and its divalent and trivalent metal complexes were performed against the various pathogens viz. Escherichia coli, Salmonella typhi, Staphylococcus aureus, Bacillus subtilis, Candida albicans, and Aspergillus niger with reference to standard antibiotics viz. ofloxacin, azithromycin, and fluconazole. All metal complexes showed promising biological activity as compared with their parent ligand and may be used as a potential antimicrobial candidate in biological science.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43029115","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 : 2022-12-31DOI: 10.5155/eurjchem.13.4.402-406.2304
M. Ali, A.N.M. Jubaer, Muhammad Tasneem Zafar, Mohammad Zahirul Islam Talukder
The main objective of this study was to examine the quality of water in the large reservoir of the Dhaka city lake and to determine whether it would be economically acceptable to purify this water for later use and to make it usable. The water quality parameters investigated are pH, temperature, electrical conductivity, hardness, alkalinity, total dissolved solids, total suspended solids, chloride, sulfate, phosphate, nitrite, nitrate, biochemical oxygen demand, chemical oxygen demand, and dissolved oxygen. The study has been done targeting three specific locations on Dhanmondi Lake, where crowds are comparatively the highest. This implies that there is a significant likelihood of pollution as well. The results of our 13-month study show that the quality of Dhanmondi lake water is somewhat higher than the international standard and some is at a tolerable level determined by the Bangladesh Department of Environment.
{"title":"Physicochemical assessment of Dhanmondi lake water in Dhaka city, Bangladesh","authors":"M. Ali, A.N.M. Jubaer, Muhammad Tasneem Zafar, Mohammad Zahirul Islam Talukder","doi":"10.5155/eurjchem.13.4.402-406.2304","DOIUrl":"https://doi.org/10.5155/eurjchem.13.4.402-406.2304","url":null,"abstract":"The main objective of this study was to examine the quality of water in the large reservoir of the Dhaka city lake and to determine whether it would be economically acceptable to purify this water for later use and to make it usable. The water quality parameters investigated are pH, temperature, electrical conductivity, hardness, alkalinity, total dissolved solids, total suspended solids, chloride, sulfate, phosphate, nitrite, nitrate, biochemical oxygen demand, chemical oxygen demand, and dissolved oxygen. The study has been done targeting three specific locations on Dhanmondi Lake, where crowds are comparatively the highest. This implies that there is a significant likelihood of pollution as well. The results of our 13-month study show that the quality of Dhanmondi lake water is somewhat higher than the international standard and some is at a tolerable level determined by the Bangladesh Department of Environment.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42825128","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 : 2022-12-31DOI: 10.5155/eurjchem.13.4.483-490.2312
S. D. Mukhtar, M. Suhail
Chiral metallic drugs are becoming the hottest point of discussion in the field of medicinal chemistry. As we know that more than 80% drugs are chiral in nature, and prescribed in the racemic form. The main problem with chiral drugs is the different biological activities of different enantiomers. This is because the human body has a chiral environment, as there is the presence of protein, carbohydrates, enzymes, and other chiral macromolecules. Hence, if a chiral anticancer drug is being prescribed to the patient in the racemic form, it means two or more drugs are being prescribed. Therefore, the chiral separation and analysis of chiral anticancer drugs are important for improving the quality of chiral drug medication. Many metal complexes are used as anticancer drugs, but the conditions become more critical if they have chirality or a chiral moiety, because of which they exist in two or more forms. Because of the presence of chirality or chiral moiety, the complex of metals is termed a chiral metallic complex. Of course, the enantioseparation of the chiral metallic complexes must be done before their prescription. Enantioseparation of the chiral metallic complex will not only provide a pharmaceutically active form to the patient but also reduce the side effects caused by the racemic mixture. Hence, the accessible article reviews the chiral metallic complexes having ruthenium, osmium, palladium, gold, silver, and platinum, etc. as central metal atoms. Besides, the future perspectives regarding the chiral metallic anticancer drugs and the role of their enantioseparation are also discussed.
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Pub Date : 2022-12-31DOI: 10.5155/eurjchem.13.4.371-380.2316
Cinthya Susana Olmedo-Martinez, Jesus Moises Hernandez-Duarte, R. Mejia-Olvera, S. Pacheco-Ortin, Esther Agacino-Valdés
According to recent research on the application of graphene materials as sensors and particularly polypyrrole-graphene materials, which are especially promising, the functionalization of graphene with a pyrrole molecule might be considered a viable alternative as a NO2 and NH3 sensor. In this way, a graphene sheet simulated as a coronene molecule was used in order to test whether this kind of functionalization could be useful for detecting the NO2 and NH3 toxic gases with a relatively high sensitivity. NO2 was studied as an example of an electron acceptor molecule, and NH3 as an electron donor molecule. Both molecules were adsorbed on two different regions of the functionalized adsorbent, and the energy ranges found for adsorption were reported and compared with those of the pristine graphene. The results indicated that in the coronene-pyrrole system, pyrrole tends to lie almost parallel to the coronene sheet in a π-π stacking interaction between the two conjugated systems, being the closest distances of 3.0 and 3.2 Å. The use of Δ (ΔHOMO-LUMO) as a descriptor confirmed that the coronene-pyrrole system is a good option as a NO2- and NH3-sensor; therefore, it might be an easy and suitable descriptor for characterizing the performance of a sensor; all calculations were made using a Density Functional formalism, through a functional M06-2X in combination with the 6-31G(d,p) basis set.
{"title":"A density functional study of the coronene-pyrrole system in relation to its possible application as NO2 and NH3 sensors","authors":"Cinthya Susana Olmedo-Martinez, Jesus Moises Hernandez-Duarte, R. Mejia-Olvera, S. Pacheco-Ortin, Esther Agacino-Valdés","doi":"10.5155/eurjchem.13.4.371-380.2316","DOIUrl":"https://doi.org/10.5155/eurjchem.13.4.371-380.2316","url":null,"abstract":"According to recent research on the application of graphene materials as sensors and particularly polypyrrole-graphene materials, which are especially promising, the functionalization of graphene with a pyrrole molecule might be considered a viable alternative as a NO2 and NH3 sensor. In this way, a graphene sheet simulated as a coronene molecule was used in order to test whether this kind of functionalization could be useful for detecting the NO2 and NH3 toxic gases with a relatively high sensitivity. NO2 was studied as an example of an electron acceptor molecule, and NH3 as an electron donor molecule. Both molecules were adsorbed on two different regions of the functionalized adsorbent, and the energy ranges found for adsorption were reported and compared with those of the pristine graphene. The results indicated that in the coronene-pyrrole system, pyrrole tends to lie almost parallel to the coronene sheet in a π-π stacking interaction between the two conjugated systems, being the closest distances of 3.0 and 3.2 Å. The use of Δ (ΔHOMO-LUMO) as a descriptor confirmed that the coronene-pyrrole system is a good option as a NO2- and NH3-sensor; therefore, it might be an easy and suitable descriptor for characterizing the performance of a sensor; all calculations were made using a Density Functional formalism, through a functional M06-2X in combination with the 6-31G(d,p) basis set.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44223779","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 : 2022-12-31DOI: 10.5155/eurjchem.13.4.387-392.2302
S. D. Kurbah
In this paper, we report the synthesis and characterization of the dioxidovanadium(V) complex derived from a malonohydrazide ligand (N'1,N'3-bis(2-hydroxybenzylidene) malonohydrazide). The newly synthesized complex was characterized by infrared spectroscopy (IR), nuclear magnetic resonance (NMR), and the structure of the complex was also established by a single crystal X-ray diffraction study. The bimetallic complex crystallizes in the triclinic space group P-1 with the following parameters a = 10.8273(5) Å, b = 11.4677(6) Å, c = 15.0366(8) Å, α = 81.591(4)°, β = 83.018(4)°, γ = 76.326(4)°, V = 1787.23(16) Å3, Z = 2, T = 292.5(2) K, μ(MoKα) = 0.600 mm-1, Dcalc = 1.463 g/cm3, 11730 reflections measured (6.236° ≤ 2Θ ≤ 58.062°), 7981 unique (Rint = 0.0231, Rsigma = 0.0506) which were used in all calculations. The final R1 was 0.0496 (I > 2σ(I)) and wR2 was 0.1255 (all data). The ligand was coordinated to the metal ions in a tridentate fashion through the donor O/N/O atoms. The metal ions adopted a square pyramidal geometry with slight distortion. Reaction of the complex with hydrogen peroxide was also carried out, and it was found that the complex reacts with hydrogen peroxide to form a peroxo complex.
本文报道了丙二酰肼配体(N' 1,n '3-二(2-羟基苄基)丙二酰肼)衍生的二氧化钒配合物的合成和表征。通过红外光谱(IR)、核磁共振(NMR)对新合成的配合物进行了表征，并通过单晶x射线衍射研究确定了配合物的结构。双金属配合物在三斜空间群P-1中结晶，参数为a = 10.8273(5) Å， b = 11.4677(6) Å， c = 15.0366(8) Å， α = 81.591(4)°，β = 83.018(4)°，γ = 76.326(4)°，V = 1787.23(16) Å3, Z = 2, T = 292.5(2) K， μ(mok - α) = 0.600 mm-1, Dcalc = 1.463 g/cm3，测量反射11730个(6.236°≤2Θ≤58.062°)，唯一7981个(Rint = 0.0231, Rsigma = 0.0506)。最终R1为0.0496 (I > 2σ(I))， wR2为0.1255(所有数据)。配体通过给体O/N/O原子与金属离子以三叉配位方式配位。金属离子呈棱锥形，有轻微的畸变。还进行了配合物与过氧化氢的反应，发现配合物与过氧化氢反应形成过氧配合物。
{"title":"Bimetallic dioxidovanadium(V) complex containing a malonohydrazide derivative ligand: Synthesis, characterization, and crystal structure","authors":"S. D. Kurbah","doi":"10.5155/eurjchem.13.4.387-392.2302","DOIUrl":"https://doi.org/10.5155/eurjchem.13.4.387-392.2302","url":null,"abstract":"In this paper, we report the synthesis and characterization of the dioxidovanadium(V) complex derived from a malonohydrazide ligand (N'1,N'3-bis(2-hydroxybenzylidene) malonohydrazide). The newly synthesized complex was characterized by infrared spectroscopy (IR), nuclear magnetic resonance (NMR), and the structure of the complex was also established by a single crystal X-ray diffraction study. The bimetallic complex crystallizes in the triclinic space group P-1 with the following parameters a = 10.8273(5) Å, b = 11.4677(6) Å, c = 15.0366(8) Å, α = 81.591(4)°, β = 83.018(4)°, γ = 76.326(4)°, V = 1787.23(16) Å3, Z = 2, T = 292.5(2) K, μ(MoKα) = 0.600 mm-1, Dcalc = 1.463 g/cm3, 11730 reflections measured (6.236° ≤ 2Θ ≤ 58.062°), 7981 unique (Rint = 0.0231, Rsigma = 0.0506) which were used in all calculations. The final R1 was 0.0496 (I > 2σ(I)) and wR2 was 0.1255 (all data). The ligand was coordinated to the metal ions in a tridentate fashion through the donor O/N/O atoms. The metal ions adopted a square pyramidal geometry with slight distortion. Reaction of the complex with hydrogen peroxide was also carried out, and it was found that the complex reacts with hydrogen peroxide to form a peroxo complex.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46883359","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}
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