European journal of chemistry (Print)最新文献_第9页

Characterization of PLA nanofiber structures containing herbal extracts 含草药提取物的聚乳酸纳米纤维结构的表征

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.99-108.2213

Nilşen Sünter Eroğlu, S. Canoglu

{"title":"Characterization of PLA nanofiber structures containing herbal extracts","authors":"Nilşen Sünter Eroğlu, S. Canoglu","doi":"10.5155/eurjchem.13.1.99-108.2213","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.99-108.2213","url":null,"abstract":"The use of renewable, sustainable, and biocompatible products without chemical side effects is increasing day by day in antibacterial applications instead of materials that harm nature and humans. In biomedicine, antibacterial nanofiber composite surfaces with generally produced from materials with antibacterial properties such as chitosan, hyaluronic acid, collagen, and silver nanoparticles. In this study, olive leaf, terebinth, and fumitory plants and biocompatible, biodegradable, and environmentally friendly polylactic acid (PLA) polymer were used to obtain nanofiber structures with 100% plant extracts. Viscosity and conductivity of solutions prepared with optimum properties were analysed, the nanofiber material was produced in solution with electrospinning method, and the morphological evaluation and mechanical measurement of the nanofiber material were performed. Finally, bacterial exchange analyses were performed before and after incubation in the UV-VIS spectrophotometer. As a result of the study, the thinnest and the most uniform fiber materials were found in CFO (consist of PLA (C1) and fumitory (FO)) coded nanofiber material, the best strength values were found in COE (consist of PLA (C1) and olive leaf (OE)) coded nanofiber structure, and the highest bacterial exchange was observed in CFO coded nanofiber material. Based on these results, it has been suggested that the CFO coded nanofiber structure can be used in biomedicine. It has been observed that olive leaf, terebinth, and fumitory plant extracts, which can be grown easily in every region in Turkey, have a significant level of bacterial resistance. In conclusion, fumitory and terebinth plants can be used in antibacterial agent applications since they allow obtaining smooth and uniform nanofiber structures, and thanks to their high bacteria nullification properties.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44479407","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

In vitro anticancer, antioxidant and DNA-binding study of the bioactive ingredient of clove and its isolation 丁香活性成分及其分离物的体外抗癌、抗氧化和DNA结合研究

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.33-40.2158

M. Suhail

{"title":"In vitro anticancer, antioxidant and DNA-binding study of the bioactive ingredient of clove and its isolation","authors":"M. Suhail","doi":"10.5155/eurjchem.13.1.33-40.2158","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.33-40.2158","url":null,"abstract":"Cancer cannot be ignored since it is the most dangerous disease because it is a major cause of death globally with 15% mortality. Researchers have been attracted to the plant-based solution of this havoc. Among all plants, Syzygium aromaticum has shown tremendous results in many aspects such as anticancer, antioxidant, and others. All the studies that took place, were done on the plant extract only. No one goes further than this. Hence, an advanced computational chemistry-based method for the characterization and identification of the bioactive ingredients isolated from cloves was developed for the first time. First, different extracts of Syzygium aromaticum plant buds were obtained using different solvents (Water, methanol, chloroform, ethyl acetate, 50% ethanol, and hexane), then each extract was evaluated for its anticancer activity against A549 and H1299 lung cancer cell lines. The fractionation of the most active extract was done using flash chromatography. After that, anticancer evaluation of every fraction was done again. One of the obtained fractions showed the highest anticancer activity. For the identification of the most active fraction the experimental IR and NMR data of it was taken and compared with the computational IR and NMR data of 19 compounds found in cloves. Furthermore, DNA binding affinity and antioxidant activity of the fraction showing the highest anticancer activity were also studied. The presented method of the isolation of the most bioactive ingredient will be the most helpful for all the scientists working in the field of separation science and phytomedicine.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48323150","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

Study of the antioxidant potential, polyphenol content, and mineral composition of Cordyla pinnata, a plant for food and medicinal use of the Senegalese pharmacopoeia 研究了塞内加尔药典上的一种食品和药用植物——夏虫草的抗氧化潜力、多酚含量和矿物质组成

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.56-62.2182

Pape Issakha Dieye, Thierno Mouhamed Wane, Elhadj Ousmane Faye, Rokhaya Gueye, A. Diop, B. Ndiaye, Y. Diop, S. Sarr

{"title":"Study of the antioxidant potential, polyphenol content, and mineral composition of Cordyla pinnata, a plant for food and medicinal use of the Senegalese pharmacopoeia","authors":"Pape Issakha Dieye, Thierno Mouhamed Wane, Elhadj Ousmane Faye, Rokhaya Gueye, A. Diop, B. Ndiaye, Y. Diop, S. Sarr","doi":"10.5155/eurjchem.13.1.56-62.2182","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.56-62.2182","url":null,"abstract":"Oxidative stress, caused by reactive oxygen species, is known to cause oxidation of biomolecules, leading to cell damage and oxidation of important enzymes, resulting in an unstable pathophysiological state. The antioxidant capacity of leaves, stems, and roots of Cordyla pinnata was determined by measuring the inhibition of the absorbance of 2,2-diphenyl-1-picryl-hydrazyl (DPPH) and 2,2'-azino-bis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radicals by spectrophotometry. The polyphenol contents were determined with the same technique. The mineral contents were evaluated by atomic absorption spectrometry. The strongest inhibition of the DPPH radical after that of the control antioxidant (IC50 = 0.014 mg/mL) was obtained with the ethyl acetate fraction of the leaf hydroethanolic extract (IC50 = 0.201 mg/mL). For ABTS, the ethyl acetate fraction of the stem extract was more active (IC50 = 0.884×10-3 mg/mL) than the other extracts and ascorbic acid (IC50 = 0.915×10-3 mg/mL). The polyphenol content of the leaves, stems and roots extracts is between 66.33 and 142.67; 55.33 and 69.33; 67.67 and 116.00 EAT/g of dry extract, respectively. The contents of Fe, Na, Zn, K, Mg, and Ca are 0.0005, 0.0006, 0.0020, 0.0897, 0.0247, and 0.0273% for leaves, respectively. They are 0.0001, 0.0010, 0.0015, 0.0557, 0.0131, and 0.1357% for the stems, respectively. The mineral contents of the roots in the same order are 0.0002, 0.0013, 0.0013, 0.0140, 0.0096, and 0.0267%. Strong inhibition of free radicals and the chemical composition of various plant materials would justify the use of C. pinnata in the management of certain pathologies and nutritional deficiencies.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45724407","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, antimicrobial, and antitubercular evaluation of new Schiff bases with in silico ADMET and molecular docking studies 新型席夫碱的合成、抗菌和抗结核性能的计算机ADMET和分子对接研究

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.109-116.2216

Sakshith Raghavendra Prasad, N. Satyanarayan, A. S. K. Shetty, B. Thippeswamy

{"title":"Synthesis, antimicrobial, and antitubercular evaluation of new Schiff bases with in silico ADMET and molecular docking studies","authors":"Sakshith Raghavendra Prasad, N. Satyanarayan, A. S. K. Shetty, B. Thippeswamy","doi":"10.5155/eurjchem.13.1.109-116.2216","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.109-116.2216","url":null,"abstract":"Schiff bases are a proven moiety in antitubercular drug discovery and the antitubercular drug development. Drug discovery is a never-ending process due to evolving drug resistance by the bacteria, as a result, there is a need of developing new antitubercular drugs. In this continuous process of antitubercular drug discovery, new series of Schiff bases are synthesized using quinoline carbohydrazide upon coupling with different aldehydes in ethanolic media through multistep synthesis. These synthesized compounds were purified and characterized by different spectroscopic techniques. The molecules were in vitro screened for antifungal and antibacterial potential by Agar well diffusion assay, antitubercular activity by using microplate Alamar blue assay, and an attempt has been made to study the in-silico relationship between new Schiff base derivatives 4a-f and the crystal structure of M. tuberculosis (5V3Y) protein by molecular docking studies. Synthesized compounds 4a-f show good interaction with the crystal structure of M. tuberculosis protein (5V3Y) and fulfill ADMET characteristics in silico experiments. Among the compounds tested, compound 4d was found to be active against bacteria and fungi. Compound 4b was found to be sensitive against M. tuberculosis at 50 µg/mL concentration.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43040702","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

Pyrrolidinecarbodithioate as a planarity chuck in the search for cis-platin analogues of nickel: Spectral, single crystal X-ray structural, BVS, and CSM analysis of some planar nickel(II) mixed ligand complexes 吡咯烷碳二硫代酸作为寻找镍顺铂类似物的平面夹盘:一些平面镍(II)混合配体配合物的光谱、单晶x射线结构、BVS和CSM分析

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.117-125.2214

K. Ramalingam, Murugesan Saravanan, G. Bocelli, L. Righi, Y. Chumakov, A. Cantoni

{"title":"Pyrrolidinecarbodithioate as a planarity chuck in the search for cis-platin analogues of nickel: Spectral, single crystal X-ray structural, BVS, and CSM analysis of some planar nickel(II) mixed ligand complexes","authors":"K. Ramalingam, Murugesan Saravanan, G. Bocelli, L. Righi, Y. Chumakov, A. Cantoni","doi":"10.5155/eurjchem.13.1.117-125.2214","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.117-125.2214","url":null,"abstract":"[Ni(pyrdtc)(PPh3)(NCS)] (1), [Ni(pyrdtc)(4-MP)(NCS)] (2), [Ni(pyrdtc)(PPh3)(CN)]·H2O (3), [Ni(pyrdtc)(PPh3)2]ClO4 (4), and [Ni(pyrdtc)(P͡P)]BPh4·2H2O (5) [where pyrdtc: Pyrrolidine carbodithioate/S͡S, PPh3: Triphenylphosphine, 4-MP: Tri(4-methylphenyl)phosphine, dppe/P͡P: 1,2-Bis(diphenylphosphino)ethane] have been prepared from the parent bis-dithiocarbamate, [Ni(pyrdtc)]2 (6). The prepared compounds were characterized by electronic, IR, 1H, 13C, and 31P NMR spectra. In the IR spectra of the compounds, thioureide bands are observed at higher wavenumbers for the mixed ligand complexes 1-5 (1528-1540 cm-1) than the parent compound (1490 cm-1). Cyclic voltammetry showed an increasing order of reduction potentials: 5 << 1 ~ 2 < 3 < 4 << [Ni(pyrdtc)2] indicating an alleviation of electron density on nickel in the mixed complexes compared to the parent compound. Single crystal X-ray structure of the complexes displayed planar geometry around nickel which is in keeping with their diamagnetism. Bond Valence Sums calculated with the corrected Rij indicated the divalent nature of nickel with predominant covalent interactions. Continuous shape measure analysis of the mixed ligand chromophores stipulates a planar square environment around central nickel atom and deviation to tetrahedral or trigonal bipyramidal variants are absolutely negated. In this study, CSM analysis of cis-platin, a clinical anti-cancer agent, showed a comparable shape measure as those of the mixed ligand complexes 1-5. Hence, pyrrolidinecarbodithioate acts as a ‘chuck’ in compounds 1-5 to stabilize the planar square shape of the nickel chromophores and provides a suitable template to synthesize analogues of cis-platin.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42793183","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

Theoretical study of a single-walled carbon nanotube and a cellulose biofiber as 5-fluorouracil anti-cancer drug carriers 单壁碳纳米管和纤维素生物纤维作为5-氟尿嘧啶抗癌药物载体的理论研究

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.69-77.2188

Eshraq Ahmed Abdullah

{"title":"Theoretical study of a single-walled carbon nanotube and a cellulose biofiber as 5-fluorouracil anti-cancer drug carriers","authors":"Eshraq Ahmed Abdullah","doi":"10.5155/eurjchem.13.1.69-77.2188","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.69-77.2188","url":null,"abstract":"Chemotherapy is one of the most valuable and widely available option in cancer treatment. However, a method of delivering the drug to achieve a therapeutic effect still a considerable challenge. Therefore, this study seeks to identify the non-bonding interaction of 5-fluorouracil anticancer drug with a single walled carbon nanotube and a Cellulose bio-fiber using density functional theory and molecular mechanics simulations. To do that, adsorption locator and DMol3 modules were utilized to determine the electronic and optical properties of carriers before and after adsorption processes. The interaction energies indicate that the 5-fluorouracil molecule can physically adsorb and the optimized geometries are stable. The charge transfer occurs between N4-H10 bond of the 5-fluorouracil molecule and the cellulose carrier by a synergistic effect of hydrogen bond formation and van der Waals forces. This effect smoothly transforms into van der Waals interactions by O3, N4, and N5 atoms in the case of single-walled carbon nanotubes. There is a clear difference in the absorption peak and a significant narrowing of the molecular energy gap of a cellulose complex because of the shifting of the electron accepting center to a drug molecule. The conductor-like screening model shows the affinity of the complexes toward hydrogen bond acceptor, which enhances their solubility in biological systems. A remarkable influence in the case of the cellulose complex works as a starting point to use natural polymers as drug delivery carriers.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":"35 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41303328","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: 1

Synthesis, crystal structure, Hirshfeld surface analysis, and DFT studies on (2,2’-bipyridine)chlorobis(N,N-bis(thiophen-2-ylmethyl)dithiocarbamato-S,S’)zinc(II) complex （2,2'-联吡啶）氯双（N，N-双（噻吩-2-基甲基）二硫代氨基甲酸-S，S'）锌配合物的合成、晶体结构、Hirschfeld表面分析和DFT研究

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.91-98.2212

S. Eswari, S. Thirumaran

{"title":"Synthesis, crystal structure, Hirshfeld surface analysis, and DFT studies on (2,2’-bipyridine)chlorobis(N,N-bis(thiophen-2-ylmethyl)dithiocarbamato-S,S’)zinc(II) complex","authors":"S. Eswari, S. Thirumaran","doi":"10.5155/eurjchem.13.1.91-98.2212","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.91-98.2212","url":null,"abstract":"Bis(N,N-bis(thiophen-2-ylmethyl)dithiocarbamato-S,S’)zinc(II) complex (1) and (2,2’-bipyridine)chlorobis(N,N-bis(thiophen-2-ylmethyl)dithiocarbamato-S,S’)zinc(II) complex (2) were synthesized. Complex 2 (final product) was structurally characterized by single crystal X-ray diffraction studies. Complex 2 (C21H18ClN3S4Zn) crystallized in triclinic crystal system with space group P-1 (no. 2), a = 8.7603(4) Å, b = 10.7488(6) Å, c = 13.0262(7) Å, α = 103.965(2)°, β = 91.913(2)°, γ = 104.944(2)°, V = 1144.07(10) Å3, Z = 2, T = 302(2) K, μ(MoKα) = 1.569 mm-1, Dcalc = 1.572 g/cm3, 14892 reflections measured (4.838° ≤ 2Θ ≤ 56.52°), 5570 unique (Rint = 0.0188, Rsigma = 0.0230) which were used in all calculations. The final R1 was 0.0810 (I > 2σ(I)) and wR2 was 0.2788 (all data). Complex 2 displays distorted square pyramidal coordination geometry. Crystal structure analysis of complex 2 shows that the crystal packing is mainly stabilized by C-H···π (chelate) and C-H···Cl interactions. Hirshfeld surface analysis was carried out to explore deeply into the nature and type of non-covalent interactions. The molecular and electronic structures of complexes 1 and 2 were also studied by DFT quantum chemical calculations.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41354514","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

Kinetic studies and adsorptive removal of chromium Cr(VI) from contaminated water using green adsorbent prepared from agricultural waste, rice straw 以农业废弃物、稻秆为原料制备绿色吸附剂吸附去除水中铬(VI)的动力学研究

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.78-90.2189

Izaz Ul Islam, Mushtaq Ahmad, Maqbool Ahmad, Shah Rukh, I. Ullah

{"title":"Kinetic studies and adsorptive removal of chromium Cr(VI) from contaminated water using green adsorbent prepared from agricultural waste, rice straw","authors":"Izaz Ul Islam, Mushtaq Ahmad, Maqbool Ahmad, Shah Rukh, I. Ullah","doi":"10.5155/eurjchem.13.1.78-90.2189","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.78-90.2189","url":null,"abstract":"Water pollution caused by heavy metals is of great concern because of rapid industrialization, lack of wastewater treatment, and inefficient removal of these metals from wastewater. The present project was designed to develop a green adsorbent from rice straw and to investigate it for the removal of chromium from chromium-contaminated water. Rice straw biochar was prepared and then modified with FeCl3·6H2O and FeSO4·7H2O to enhance its Cr removal efficiency. Modified and unmodified biochar were characterized by Scanning Electron Microscope (SEM), Energy Dispersive X-ray Spectroscopy (EDS), and Fourier Transform Infrared Spectroscopy (FTIR). Batch sorption experimentations were performed to inquire about adsorption kinetics, isotherms, and Cr(VI) adsorption mechanism onto iron-modified rice straw biochar (FMRSB). The results specified that the apex adsorption capability of the adsorbent for chromium was 59 mg/g and the maximum removal efficacy was 90.9%. Three isotherm models, Sips, Freundlich, and Langmuir models were applied to the experimental data. Among them, the Sips isotherm model reveals the most excellent fitting with a maximum correlation coefficient (R2 = 0.996) that was adjusted to the experimental data. Regarding kinetic studies, the Pseudo second-order (PSO) exhibits the best fitting with a higher correlation coefficient (R2 = 0.996). The kinetic equilibrium data expressed that the adsorption of Cr(VI) on the FMRSB surface was chemisorption. The mechanism of adsorption of Cr(VI) on FMRSB was predominantly regulated by anionic adsorption through adsorption coupled reduction and electrostatic attraction. The present study demonstrated that the use of modified biochar prepared from agricultural wastes is an environmentally safe and cost-effective technique for the removal of toxic metals from polluted water.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44629535","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: 1

Mononuclear pyrazine-2-carbohydrazone metal complexes: Synthesis, structural assessment, thermal, biological, and electrical conductivity studies 单核吡嗪-2-碳腙金属配合物:合成、结构评价、热、生物和电导率研究

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.126-134.2186

A. Bansod, Ravindra Bhaskar, Chandarshekhar Ladole, N. Salunkhe, Kanchan Thakare, A. Aswar

{"title":"Mononuclear pyrazine-2-carbohydrazone metal complexes: Synthesis, structural assessment, thermal, biological, and electrical conductivity studies","authors":"A. Bansod, Ravindra Bhaskar, Chandarshekhar Ladole, N. Salunkhe, Kanchan Thakare, A. Aswar","doi":"10.5155/eurjchem.13.1.126-134.2186","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.126-134.2186","url":null,"abstract":"Mononuclear complexes of VO(IV), Cr(III), Fe(III), MoO2(VI), WO2(VI), and UO2(VI) with pyrazinecarbohydrazone ligand (N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)pyrazine-2-carbohydrazide) were synthesized and the prepared complexes were characterized by elemental analysis, magnetic susceptibility, powder X-ray analysis, various spectroscopic techniques (IR, 1H NMR, 13C NMR, and Mass spectra), SEM, and thermal analysis. VO(IV) complex was additionally characterized by ESR study. The ligand behaves as a dibasic tridentate, coordinating through the phenolate oxygen, azomethine nitrogen, and enolate oxygen atoms towards the central metal ion. The analytical data suggest 1:1 metal to ligand stoichiometry for all complexes. The physicochemical data suggested octahedral geometry to Cr(III), Fe(III), MoO2(VI), WO2(VI), and UO2(VI) complexes while square pyramidal to VO(IV) complex. The SEM analysis indicated the presence of well-defined crystals free from any shadow of the metal ion on their external surface with particle sizes of greater than 10 μm. Various kinetics and thermodynamic parameters are calculated using Coats-Redfern method and on the basis of half decomposition temperature the thermal stability order of complexes was found to be Cr(III) < WO2(VI) < Fe(III) < MoO2(VI) < VO(IV) < UO2(VI). The solid-state electrical conductivity of compounds was measured in their pellet form in the temperature range form 313-373 K. The conductivity data vary exponentially with the absolute temperature and obey Arrhenius equation indicating their semiconducting behavior. The antibacterial as well as antifungal activities of ligand and its metal complexes were evaluated in vitro against Gram positive bacteria (S. aureus and B. subtilis) and Gram-negative bacteria (E. coli and S. typhi.) and fungal strains (C. albicans and A. niger). The activity data revealed metal complexes are found to be more active than the ligand.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45751469","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: 3

Synthesis, crystal structure, DFT studies, and Hirshfeld surface analysis of 2,2'-(((methylene-bis(4,1-phenylene))bis(azanylylidene))bis(methanylylidene))diphenol 2,2'-((亚甲基-双(4,1-苯基))双(偶氮酰基))双(甲基酰基))双酚的合成、晶体结构、DFT研究和Hirshfeld表面分析

European journal of chemistry (Print) Pub Date : 2022-03-31 DOI: 10.5155/eurjchem.13.1.49-55.2175

G. Patra, Dinesh De

{"title":"Synthesis, crystal structure, DFT studies, and Hirshfeld surface analysis of 2,2'-(((methylene-bis(4,1-phenylene))bis(azanylylidene))bis(methanylylidene))diphenol","authors":"G. Patra, Dinesh De","doi":"10.5155/eurjchem.13.1.49-55.2175","DOIUrl":"https://doi.org/10.5155/eurjchem.13.1.49-55.2175","url":null,"abstract":"The synthesis, characterization, and theoretical studies of the title compound has been reported in this study. The molecular structure has been characterized by room-temperature single-crystal X-ray diffraction study which reveals that it has an angular shape with intramolecular and intermolecular hydrogen bonding. Crystal data for the title compound, C27H22N2O2 (M =406.46 g/mol): monoclinic, space group C2/c (no. 15), a = 36.371(10) Å, b = 4.6031(12) Å, c = 12.192(3) Å, β = 94.972(6)°, V = 2033.5(9) Å3, Z = 4, T = 100 K, μ(MoKα) = 0.084 mm-1, Dcalc = 1.328 g/cm3, 8812 reflections measured (2.248° ≤ 2Θ ≤ 49.734°), 1773 unique (Rint = 0.0323, Rsigma = 0.0239) which were used in all calculations. The final R1 was 0.0411 (I > 2σ(I)) and wR2 was 0.1165 (all data). In crystal structure, the molecule exits in the enol form and is located on a two-fold axis of symmetry; where the central methylene carbon atom of the diphenylmethane moiety is displaced from the aromatic ring planes. The Hirshfeld surface analysis of the title compound shows that H···H, C···H, and O···H interactions of 53.3, 13.2, and 5.4%; respectively, which exposed that the main intermolecular interactions were H···H intermolecular interactions. The HOMO-LUMO energy gap in the title compound is 2.9639 eV. Molecular electrostatic potential of the investigated compound has also been studied.","PeriodicalId":89364,"journal":{"name":"European journal of chemistry (Print)","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44930809","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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