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Bio-sorption of Methylene Blue by Defatted Seed of Adansonia digitata 脱脂adansononia digitata种子对亚甲基蓝的生物吸附
Pub Date : 2022-11-05 DOI: 10.34198/ejcs.9123.139156
A. Gaye, Ramatoulaye Diouf, A. Fall
The study was carried to evaluate the ability of defatted seed of Adansonia digitata (DFSE) to remove methylene blue dye from contaminated water. The optimum parameters such as contact time, particle size, absorbent dose, initial dye concentration, and pH were investigated by performing batch experiments models. The kinetics and the isotherms adsorption were evaluated by varying the initial concentration and using the optimum parameters. The optimum of contact time is 90 min and the removal capacity is 99.34 %. A mass of 700 mg is sufficient to reach the maximum removal of methylene blue (99.44 %). The maximum adsorption is obtained with an initial methylene blue concentration of 75 ppm (98.53 %). The optimum particle size is 100 mm. The kinetics of the adsorption process are in accordance with the pseudo-second order model. Experimental values of the adsorption capacity are close proximity to the optimum values predicted by the pseudo-second order model. The Langmuir, Freundlich, Dubinin-Radushkevich and Tempkin isotherms are not suitable to explain the experimental isotherm.
研究了脱脂水仙籽(DFSE)去除水中亚甲基蓝染料的能力。通过批量实验模型考察了接触时间、粒径、吸附剂剂量、初始染料浓度和pH值等最佳参数。通过改变初始浓度和选择最佳吸附参数,对吸附动力学和等温线进行了评价。最佳接触时间为90 min,去除率为99.34%。700毫克的质量足以达到亚甲基蓝的最大去除率(99.44%)。当亚甲蓝初始浓度为75 ppm(98.53%)时,吸附量最大。最佳粒径为100mm。吸附过程的动力学符合准二级模型。吸附量的实验值与拟二阶模型预测的最优值接近。Langmuir等温线、Freundlich等温线、Dubinin-Radushkevich等温线和Tempkin等温线不适合解释实验等温线。
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引用次数: 0
A New Approach to the Chemistry of the Serullas Test for Morphine 吗啡塞拉斯试验化学性质的新探讨
Pub Date : 2022-11-05 DOI: 10.34198/ejcs.9123.157162
F. Sánchez-Viesca, Reina Gómez
The tests for morphine are very important since this alkaloid is used in medicine for pain release but also it is a restricted drug due to abuse. The interaction of morphine with iodic acid has been used for its identification. In this communication the several redox reactions taking place during this test are explained in a new way. Activation of the organic-inorganic ester (mixed iodate) by protonation and water loosening creates a cationic intermediate with inverted polarity at the ortho-position. This innovation is important because there is no need to invoke electron back donation since this concept reverses the normal polarization of a functional group. Our novelty worked very well and explained the three successive redox steps taking place during the test, that is, until the oxidation to an ortho-quinone and iodine formation which is detected by reaction with starch gel giving Prussian blue colour.
吗啡的测试非常重要,因为这种生物碱用于缓解疼痛的药物,但由于滥用,它也是一种限制药物。吗啡与碘酸的相互作用已被用于鉴定。本文以一种新的方式解释了试验过程中发生的几种氧化还原反应。通过质子化和水松动激活有机无机酯(混合碘酸盐),在邻位产生极性相反的阳离子中间体。这一创新很重要,因为由于这一概念逆转了官能团的正常极化,因此不需要调用电子回给。我们的新发明效果很好,解释了在测试过程中发生的三个连续的氧化还原步骤,也就是说,直到氧化成邻醌和碘的形成,这是通过与淀粉凝胶反应检测到的,产生普鲁士蓝。
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引用次数: 2
Synthesis, Spectroscopic and X-Ray Structure Determination of a New Mononuclear Terbium (III) Complex from the Ligand N,N'-1,5-bis(pyridylmethylidene) Carbonohydrazone (H2L) 配体N,N'-1,5-二(吡啶基甲基)羰基腙(H2L)单核铽(III)配合物的合成、光谱及x射线结构测定
Pub Date : 2022-10-22 DOI: 10.34198/ejcs.9123.121137
T. Seck, M. Gueye, I. Thiam, O. Diouf, M. Gaye, P. Retailleau
In the title compound, [Tb(H2L)2(H2O)3].3Cl.4(H2O).(C2H5OH), the Tb3+ is nine-coordinated in a distorted monocapped square antiprismgeometry by four nitrogen atoms, two oxygen atoms from the ligand molecules of the tridentate N,N'-1,5-bis(pyridylmethylidene) carbonohydrazone) (H2L) and three oxygen atoms of coordinating water molecules. The structure of the complex was elucidated by X-ray diffraction analysis. Suitable crystals were grown by slow evaporation of ethanol solution. The compound crystallizes in the triclinic crystal system with a space group of Pī. The asymmetric unit of the compound contains two neutral ligand molecules, oneterbium ion, three coordinated water molecules, five and half uncoordinated water molecules and one uncoordinated ethanol molecule. In the crystal, the complex cations are linked by hydrogen bonds into layers. These layers, chloride anions and non-coordinating water molecules are connected by O—H···O, O—H···N, O—H···Cl, N—H···O, N—H···Cl and C—H···Cl hydrogen bonds into a three-dimensional structure.
在标题化合物[Tb(H2L)2(H2O)3]. 3cl .4(H2O).(C2H5OH)中,Tb3+由四个氮原子、两个氧原子(来自三叉齿N,N'-1,5-二(吡啶基甲基)羰基腙)(H2L)的配体分子和三个氧原子(来自配位水分子)以扭曲的单包方形反棱镜结构九配位。x射线衍射分析证实了配合物的结构。通过乙醇溶液的缓慢蒸发生长出合适的晶体。该化合物在三斜晶系中结晶,具有p_空间群。该化合物的不对称单元包含两个中性配体分子、一个铽离子、三个配位水分子、五个半不配位水分子和一个不配位乙醇分子。在晶体中,复杂的阳离子通过氢键连接成层。这些层、氯离子和非配位水分子通过O - h··O、O - h··N、O - h··Cl、N - h··O、N - h··Cl和C-H··Cl氢键连接成三维结构。
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引用次数: 0
Tautomers of Ethosuximide and their Interaction with Calcium Cation - A DFT Treatment 乙磺酰亚胺的互变异构体及其与钙离子的相互作用- DFT治疗
Pub Date : 2022-10-14 DOI: 10.34198/ejcs.9123.103119
L. Türker
Ethosuximide is an imide which is often used in the treatment of typical epilepsy. Ethosuximide affects neuronal excitability by blocking T-type calcium channels. It may exhibit 1,3-type tautomerism (amide-iminol type tautomerism). All those possible tautomeric forms are considered. Additionally, interactions of those tautomers with calcium cation have been investigated. All the calculations have been performed within the realm of density functional theory with the constraints of B3LYP/6-311++G(d,p) level. The tautomers and their composites with calcium cation are found to be electronically stable and thermodynamically favorable structures. Ethosuximide tautomers have relatively much lower Boltzman distributions compared to ethosuximide. However, they form electronically stable and thermodynamically favorable composites with calcium cation. Also some quantum chemical and spectral properties of those systems have been obtained and discussed.
乙磺酰亚胺是一种常用于治疗典型癫痫的亚胺。乙索昔胺通过阻断t型钙通道影响神经元兴奋性。它可能表现为1,3型互变异构(酰胺-亚胺型互变异构)。所有这些可能的互变异构形式被考虑。此外,还研究了这些互变异构体与钙离子的相互作用。在B3LYP/6-311++G(d,p)水平约束下,所有的计算都在密度泛函理论范围内进行。这些互变异构体及其与钙离子的复合材料具有电子稳定和热力学有利的结构。乙氧亚胺互变异构体的玻尔兹曼分布比乙氧亚胺低得多。然而,它们与钙离子形成电子稳定和热力学有利的复合材料。并对这些体系的一些量子化学性质和光谱性质进行了讨论。
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引用次数: 0
Trace Metals Behaviors in the Superficial Sediments from a Tropical Lagoon 热带泻湖浅层沉积物中的微量金属行为
Pub Date : 2022-10-14 DOI: 10.34198/ejcs.9123.77102
Mahi Agolé Mahi Arthur, Y. Konan, Claon Jean Stéphane, Trokourey Albert
The aim of this study is to assessment the effects of the seasonal water inputs on the seasonal dynamic of trace metals in the superficial sediments from the lagoon area II of Ébrié system. This study was implemented during one year (from June 2020 to May 2021) and all the physical and chemical parameters of these sediments, used in this study, were all obtained according to AFNOR standards. In hot season, the trace metal contents of these sediments, dominated by coarse sands in all seasons, were on the whole favored by the marine inputs; which would induce their very slightly basicity and reduce characters, low salinity and conductivity. However, the majority of their trace metals content decreases in rainy season with the meteorite inputs; would induce their slightly acidic and oxidizing characters and, the increase in their salinity and conductivity. These were again for the slightly basic and reduce characters of the open waters at the interface water-sediment, as their relative important salinity, conductivity and organic matter content in this season. The same effects were observed in flood season but a less marked by the important presence of Comoé river in this ecosystem.
本研究的目的是评估季节性水输入对Ébrié系统泻湖II区浅层沉积物中微量金属季节性动态的影响。本研究为期一年(2020年6月至2021年5月),研究中使用的这些沉积物的所有物理和化学参数均按照AFNOR标准获得。在炎热季节,这些沉积物的微量金属含量总体上受海洋输入的影响,四季均以粗砂为主;这将导致它们的碱性很弱,降低了它们的特性,低盐度和导电性。然而,随着陨石的输入,它们的大部分微量金属含量在雨季下降;会诱发其微酸性和氧化性,并增加其盐度和电导率。这也是水-沉积物界面开放水域的微碱性和还原特征,因为它们在这个季节相对重要的盐度、电导率和有机质含量。在汛期也观察到同样的影响,但由于科莫河在该生态系统中的重要存在而不那么明显。
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引用次数: 0
Review: Using Metal Oxide Nanoparticles as Catalyst in Benzimidazoles Synthesis 纳米金属氧化物催化剂在苯并咪唑合成中的应用综述
Pub Date : 2022-10-13 DOI: 10.34198/ejcs.9123.6376
A. Abdullah, S. A. Dadoosh, M. Thani, A. S. Fahad
Heterocyclic compounds, such as benzimidazole derivatives, are a type of heterocyclic chemicals. Benzimidazole consists of a 6-atom benzene ring fused to the five-atom imidazole ring, which is an important structural property of this compound. A powerful inhibitor of various enzymes was used to investigate several pharmacological residences. Heterocyclic compounds, including benzimidazoles, are interested in being very effective compounds and are used in the preparation of many medicines, including as antiviral, anticancer, antiparasitic, antimicrobial, antihistamine, analgesic and as effective treatments for diabetes. Because of their stability, bioavailability, and have large organic activity, benzimidazole derivatives have multiple activities. Using various azole moieties, modifications to a few organic polymers was achieved. This article will discuss some of the current methodologies of synthesizing benzimidazoles and their pharmacological properties, as well as a variety of derivatives.
杂环化合物是一类杂环化合物,如苯并咪唑衍生物。苯并咪唑由6原子苯环与5原子咪唑环融合而成,这是该化合物的重要结构性质。一种有效的各种酶抑制剂被用来研究几种药理住所。杂环化合物,包括苯并咪唑,是非常有效的化合物,被用于制备许多药物,包括抗病毒、抗癌、抗寄生虫、抗菌、抗组胺、镇痛和有效治疗糖尿病。由于其稳定性、生物利用度和较高的有机活性,苯并咪唑衍生物具有多种活性。利用不同的唑基团,实现了对几种有机聚合物的改性。本文将讨论目前合成苯并咪唑的一些方法及其药理学性质,以及各种衍生物。
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引用次数: 0
Some Tautomers of Dacarbazine - A DFT Study 达卡巴嗪的一些互变异构体的DFT研究
Pub Date : 2022-09-28 DOI: 10.34198/ejcs.9123.4762
L. Türker
The present study considers some of dacarbazine tautomers having resulted from 1,3- and 1,5-proton migration. Density functional approach has been adopted at the level of B3LYP/6-311++G(d,p) in order to obtain various geometrical, physicochemical, spectral and quantum chemical properties of the tautomers of concern. Also local aromaticity of the imidazole ring in some of the tautomers having 6π-electrons has been obtained by calculating the nucleolus independent chemical shift values.
本研究认为一些达卡巴嗪互变异构体是由1,3-和1,5-质子迁移引起的。在B3LYP/6-311++G(d,p)水平上采用密度泛函方法,得到所关注的互变异构体的各种几何、物理化学、光谱和量子化学性质。通过计算与核核无关的化学位移值,还得到了某些具有6π电子的互变异构体中咪唑环的局部芳构性。
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引用次数: 0
Experimental and Theoretical Assessments on Anticorrosion Performance of 2-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl) Acrylonitrile for Copper in 1M HNO3 2-(1h -苯并咪唑-2-基)-3-(4-羟基苯基)丙烯腈对铜在1M HNO3中防腐性能的实验与理论评价
Pub Date : 2022-09-25 DOI: 10.34198/ejcs.9123.1745
M. A. Tigori, Aboudramane Koné, Koffi Amenan Mireille, D. Sissouma, P. Niamien
The present study was designed to determine the inhibition effect of 2-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl) acrylonitrile in 1M HNO3 using a combined experimental and theoretical approach. Mass loss techniques revealed that 2-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl) acrylonitrile inhibition efficiency is dependent on its concentration and temperature. It has been shown that the studied molecule inhibits copper corrosion by an adsorption behavior by donating and accepting electrons. Kinetic parameters have been determined and discussed. Quantum chemical parameters calculated by means of density functional theory (DFT) have shown that studied molecule reactivity is strongly related to the electronic properties, which could help to understand the molecule-metal interactions. The reactive sites have been determined by means of Fukui Functions and dual descriptor. Quantitative structure-property relationship (QSPR) model introduced in this study was used to find a set of quantum chemical parameters capable of correlating the experimental and theoretical data in order to design more suitable organic corrosion inhibitors. The theoretically obtained results were found to be consistent with the experimental data reported.
本研究采用实验与理论相结合的方法,研究了2-(1h -苯并咪唑-2-基)-3-(4-羟基苯基)丙烯腈在1M HNO3中的抑制作用。失重技术表明,2-(1h -苯并咪唑-2-基)-3-(4-羟基苯基)丙烯腈的缓蚀效果取决于其浓度和温度。研究表明,所研究的分子通过给电子和接受电子的吸附行为抑制铜的腐蚀。对动力学参数进行了确定和讨论。利用密度泛函理论(DFT)计算的量子化学参数表明,所研究的分子反应性与电子性质密切相关,这有助于理解分子-金属相互作用。利用福井函数和对偶描述子确定了反应位点。采用本研究引入的定量构效关系(QSPR)模型,寻找一组能够将实验数据与理论数据相关联的量子化学参数,从而设计出更合适的有机缓蚀剂。理论计算结果与实验数据吻合较好。
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引用次数: 0
Effect of Aluminum on 1,3,5,5-tetranitrohexahydropyrimidine (DNNC) - A DFT Treatment 铝对1,3,5,5-四硝基六氢嘧啶(DNNC) - A DFT处理的影响
Pub Date : 2022-09-15 DOI: 10.34198/ejcs.9123.116
L. Türker
DNNC is an explosive as well as an oxidant for propellants and pyrotechnics. It possesses C-NO2 and N-NO2 bonds. In the present study, DNNC and aluminum interaction has been investigated within the limitations of density functional theory at the level of unrestricted B3LYP/6-31++G(d,p). The composites having formula of DNNC+Al and DNNC+2Al are considered. Since aluminum has an unpaired electron in the ground state, various multiplicities arise for the composites of present interest. Some geometrical, physico chemical, quantum chemical and some spectral data have been obtained and discussed. The calculations within the constraints of the theory and the basis set employed have indicated that DNNC+Al (doublet) keeps its structural integrity but DNNC+2Al composite either in singlet or triplet case expels one of the geminally substituted NO2 groups. However, the aluminum atom in each case acquires different kind of charge. The N-NO2 bonds remain intact in the presence of aluminum.
DNNC是一种炸药,也是推进剂和烟火的氧化剂。它具有C-NO2和N-NO2键。在本研究中,在密度泛函理论的限制下,在不受限制的B3LYP/6-31++G(d,p)水平上研究了DNNC和铝的相互作用。考虑了具有DNNC+Al和DNNC+2Al分子式的复合材料。由于铝在基态中有一个未配对的电子,因此目前感兴趣的复合材料产生了各种各样的多重性。得到并讨论了一些几何、物理化学、量子化学和一些光谱数据。在理论和基集约束下的计算表明,DNNC+Al(双重态)保持了其结构的完整性,而DNNC+2Al复合材料在单重态或三重态情况下都排出了一个双取代的NO2基团。然而,在每种情况下,铝原子获得不同种类的电荷。N-NO2键在铝的存在下保持完整。
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引用次数: 0
Effect of Drying the Chemical Composition of the Essential Oil of Ocimum gratissimum L (Lamiaceae) Harvested in the Tonkpi Region (Ivory Coast) 象牙海岸通比(Tonkpi)地区收获的叶菖蒲精油化学成分的干燥效应
Pub Date : 2022-09-13 DOI: 10.34198/ejcs.8222.275289
Konan N’dri Séraphin, Yéo Sounta Oumar, Dan Eude Kpannieu, Prao Kouassi Modeste, Kouamé Bosson Antoine, Mamyr Békova-Békro Janat Akhanovna, B. Yves-Alain
In this study, we were interested in the valuation of Ocimum gratissimum, an aromatic and medicinal plant of the Ivorian flora. The essential oils of the leafy branches of Ocimum gratissimum were extracted by hydrodistillation with a Clévenger-type device. The yield of the oils obtained increases from (0.05±0.01%) to (0.42±0.08%) depending on the drying time. The density of essential oils is almost constant at 0.80. The chemical composition of essential oils was identified after analysis of chromatograms and mass spectra. The number of phytocompounds also increases with the number of drying days from 32 to 37. These compounds are marked by the presence of hydrocarbon monoterpenes from (29.11% to 49.1%), and oxygenated from (40.33% to 50.02%) and the presence of hydrocarbon sesquiterpenes from (5.52% to 8.55%), and oxygenated from (0.80% to 2.16%). The number of major compounds is 5 on day 0 and decreases to 4 on the other days, and have the following proportions: thymol from (33.60% to 44.73%), β‑caryophyllene from (2.54% to 3.29%), para-cymene (12.32% to 25.60%), γ-terpinene (10.09% to 11.41%), Bis(2-ethylhexyl)phthalate (12.12% to 0.42%). bis (2-ethylhexyl) phthalate which is in the minority during the other drying days.
在这项研究中,我们对科特迪瓦植物区系的芳香和药用植物Ocimum gratissimum的价值感兴趣。采用clemastenger -type装置,采用加氢蒸馏法提取芫荽叶精油。根据干燥时间的不同,所得油的得率从(0.05±0.01%)增加到(0.42±0.08%)。精油的密度几乎恒定在0.80。通过色谱和质谱分析确定了精油的化学成分。随着干燥天数从32天增加到37天,植物化合物的数量也有所增加。这些化合物具有单萜(29.11% ~ 49.1%)、氧合(40.33% ~ 50.02%)和倍半萜(5.52% ~ 8.55%)、氧合(0.80% ~ 2.16%)的特征。第0天主要化合物数为5个,其余天数减少为4个,其比例分别为百里香酚(33.60% ~ 44.73%)、β -石竹烯(2.54% ~ 3.29%)、副伞花烃(12.32% ~ 25.60%)、γ-萜烯(10.09% ~ 11.41%)、邻苯二甲酸二酯(2-乙基己基)(12.12% ~ 0.42%)。邻苯二甲酸双(2-乙基己基)在其他干燥的日子里是少数。
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引用次数: 0
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Earthline Journal of Chemical Sciences
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