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Comprehensive Analysis of Nutrient Composition: Evaluating Vitamins, Essential Minerals, and Trace Metals in Neem (Azadirachta indica) Stem Bark Extract 营养成分综合分析:评估印度楝(Azadirachta indica)茎皮提取物中的维生素、必需矿物质和微量元素
Pub Date : 2024-05-11 DOI: 10.34198/ejcs.11224.283296
Ademola E. Adeoye, Akintunde M. Adeoye, Mustapha Mufliat
The current study sought to investigate the nutrients in an aqueous extract of Neem (Azadirachta indica) stem bark. The bioactive chemical contents of Neem stem bark were isolated, separated, and studied to determine the presence of vitamins, vital minerals, and trace metals. A fresh Neem sample was collected and the sample was ground into powdered form and prepared via extraction using various solvents (n-hexane, ethyl acetate, and ethanol), and the chemical constituents were separated using the GC/MS technique. The Neem stem sample was later digested with nitric acid and hydrogen peroxide in the ratio 4:1 (acid ratio). The trace metals and important minerals in digested Neem samples were determined using an atomic absorption spectrophotometer (AAS), while Na+ and K+ were determined using a flame photometer. The results revealed that calcium is the most prevalent mineral in Neem stem bark, followed by potassium and sodium, but copper, magnesium, iron, zinc, and other minerals are present in trace amounts, while cadmium and lead are virtually missing. Furthermore, according to the results of the vitamin studies, the most abundant vitamins in Neem stem bark are vitamin B3 and vitamin C, but vitamins A, B1, B6, and B12 are present in trace amounts.
本研究旨在调查印楝(Azadirachta indica)茎皮水提取物中的营养成分。研究人员对楝树茎皮中的生物活性化学成分进行了分离和研究,以确定其中是否含有维生素、重要矿物质和微量金属。采集了新鲜的楝树样本,将样本研磨成粉末状,通过使用各种溶剂(正己烷、乙酸乙酯和乙醇)进行萃取制备,并使用气相色谱/质谱技术分离化学成分。楝树茎样本随后用硝酸和过氧化氢按 4:1 的比例(酸比)进行消化。用原子吸收分光光度计(AAS)测定消化后的苦楝树样本中的微量金属和重要矿物质,用火焰光度计测定 Na+ 和 K+。结果显示,楝树茎皮中最常见的矿物质是钙,其次是钾和钠,但铜、镁、铁、锌和其他矿物质含量微量,而镉和铅则几乎没有。此外,根据维生素研究的结果,楝树茎皮中含量最多的维生素是维生素 B3 和维生素 C,但维生素 A、B1、B6 和 B12 的含量微乎其微。
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引用次数: 0
Degradation of textile polyazodyes by Polyporus ciliatus laccase produced in peanut shell solid medium: purification and characterization 花生壳固体培养基中产生的纤毛多孔菌漆酶降解纺织品多氮酯:纯化和表征
Pub Date : 2024-04-14 DOI: 10.34198/ejcs.11224.249265
F. Kallel, Nadia Etiss, S. Châabouni, Mohamed Neifar
This study describes decolorization of reactive sulfonated azoic dye Direct Blue 71, one of the recalcitrant and highly used industrial dyes, by Polyporus ciliatus derived laccase. Agro-industrial wastes are increasingly used as substrates for laccase production from white rot fungi through solid-state fermentation (SSF). Peanut shell (PS) is an attractive substrate for laccase production, and SSF is an adequate strategy for that purpose. It has been employed as a novel support-substrate for laccase production by Polyporus ciliatus under solid-state fermentation. The highest laccase yield of 1260 U/ml was attained using PS after 13 days of incubation at 30°C. The purified laccase (55 kDa) showed maximum activity at pH 3 and 60°C. The extracellular laccase enzyme was purified 67.6-fold to a specific activity of 1466 U/mg by a Mono-Q anion-exchange column. The purified enzyme Km value was found to be 24 µM, while the Vmax value was observed to be 0.96 µM s-1 with ABTS as a substrate. It had high thermotolerance and pH stability and was resistant to several metal ions including copper, cadmium, and iron. P. ciliatus pure laccase showed high potential for the decolorization and detoxification of the reactive sulfonated azoic dye Direct Blue 71, which suggested that this enzyme could be used for textile effluent treatment.
本研究描述了多孔菌纤毛虫衍生的漆酶对活性磺化偶氮染料直接蓝 71 的脱色过程,直接蓝 71 是一种难降解的常用工业染料。通过固态发酵(SSF),农用工业废物越来越多地被用作白腐真菌生产漆酶的底物。花生壳(PS)是一种极具吸引力的生产漆酶的底物,固态发酵是实现这一目的的适当策略。在固态发酵条件下,花生壳被用作纤毛多孔菌生产漆酶的新型支持底物。在 30°C 下培养 13 天后,使用 PS 获得了 1260 U/ml 的最高漆酶产量。纯化的漆酶(55 kDa)在 pH 值为 3 和 60°C 时显示出最大活性。经 Mono-Q 阴离子交换柱纯化,细胞外的漆酶活性提高了 67.6 倍,达到 1466 U/mg 。纯化后的酶 Km 值为 24 µM,以 ABTS 为底物时的 Vmax 值为 0.96 µM s-1。它具有很高的耐热性和 pH 稳定性,并能抵抗多种金属离子,包括铜、镉和铁。纤毛虫纯漆酶在活性磺化偶氮染料直接蓝 71 的脱色和解毒方面表现出很高的潜力,这表明该酶可用于纺织污水处理。
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引用次数: 0
Some strong dimers of TNAZ - DFT treatment TNAZ 的一些强二聚体 - DFT 处理
Pub Date : 2024-03-25 DOI: 10.34198/ejcs.11224.231248
L. Türker
TNAZ is an explosive material. Presently, some strong dimers of TNAZ have been investigated within the constraints of density functional theory at the level of B3LYP/6-31G(d,p). Core structure of the dimers of consideration is theoretically derived from pseudocyclacene structure by means of certain centric perturbations, and then nitro groups are attached at the desired positions or from two TNAZ molecules via certain intermolecular perturbations. All the present dimers are electronically stable, thermodynamically exothermic and have favorable Gibbs’ free energy of formation values at the standard states. Various structural and quantum chemical properties, including UV-VIS spectra have been obtained and discussed.
TNAZ 是一种爆炸性材料。目前,在 B3LYP/6-31G(d,p)密度泛函理论的限制下,对 TNAZ 的一些强二聚体进行了研究。所研究的二聚体的核心结构是通过某些中心扰动从假环烯结构中推导出来的,然后通过某些分子间扰动在所需位置或从两个 TNAZ 分子上连接硝基。目前所有的二聚物都具有电子稳定性、热力学放热性,并且在标准状态下具有有利的吉布斯形成自由能值。已获得并讨论了各种结构和量子化学特性,包括紫外-可见光谱。
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引用次数: 0
Trinitroanisole isomers - A DFT treatment 三硝基苯甲醚异构体--一种 DFT 处理方法
Pub Date : 2024-01-18 DOI: 10.34198/ejcs.11224.173187
L. Türker
Trinitroanisole isomers have been investigated within the constraints of density functional theory at the level of B3LYP/6-311++G(d,p). All the isomers are electronically stable, thermodynamically exothermic and have favorable Gibbs’ free energy of formation values at the standard states. Various quantum chemical properties, including UV-VIS spectra have been obtained and discussed. Some of the isomers considered are associated with non-Kekule alternant isoconjugate systems, therefore they might have some potential explosive character. 2,4,6-Trinitrophenylanisole is one of them and indeed it was extensively and exclusively used by Japanese as an explosive in the II world war.
在 B3LYP/6-311++G(d,p) 密度泛函理论的限制下,对三硝基苯甲醚异构体进行了研究。所有异构体在标准状态下都具有电子稳定性、热力学放热性和有利的吉布斯形成自由能值。我们获得并讨论了各种量子化学性质,包括紫外-可见光谱。所考虑的一些异构体与非凯库勒互变异构体系有关,因此它们可能具有一些潜在的爆炸特性。2,4,6-三硝基苯甲醚就是其中之一,在第二次世界大战中,它被日本人广泛地专门用作炸药。
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引用次数: 0
Preservatives in Canned Meat and Their Potential Human Health Concerns: A Review 罐头肉中的防腐剂及其潜在的人类健康问题:综述
Pub Date : 2023-12-21 DOI: 10.34198/ejcs.11124.163172
Raed Mohammed Khalaf Al-Zaidi, Mayson Thafir Hadi, Eman J. Al-Attar, A. M. Khaleel
Preservatives are the most popular food enhancers for preserving food freshness and extending its shelf life. Preservatives are frequently added to processed foods, so they are crucial to ensuring that the food remains fresh for a longer period of time. Several types of food preservatives are available currently some are manufactured while others occur naturally. Meat is one of the most important types of food that is disposed to chemical or enzymatic damage, especially after its manufacture as a result of the breakdown of fats, proteins and carbohydrates, which in turn causes the emergence of undesirable and unhealthy changes in smell, flavor and texture, making it unsuitable for human consumption. Among the substances allowed to be used as preservatives for canned meat are sodium acetates, nitrites, nitrates, sorbates, and sulphites. The current review aims to summarize the most important preservatives used in canned meat and indicate their potential negative impact human health.
防腐剂是最常用的食品增鲜剂,用于保持食品新鲜和延长保质期。防腐剂经常被添加到加工食品中,因此对确保食品长时间保持新鲜至关重要。目前有几种食品防腐剂,有些是人工制造的,有些则是天然存在的。肉类是最重要的食品之一,会受到化学或酶的破坏,特别是在生产之后,由于脂肪、蛋白质和碳水化合物的分解,肉类的气味、味道和质地会发生不良和不健康的变化,从而不适合人类食用。允许用作肉类罐头防腐剂的物质包括醋酸钠、亚硝酸盐、硝酸盐、山梨酸盐和亚硫酸盐。本综述旨在总结肉类罐头中使用的最重要的防腐剂,并指出其对人体健康的潜在负面影响。
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引用次数: 0
On the Interaction of Noscapine (Narcotine) with Ammonium Tellurate in Sulphuric Acid 关于那可丁(烟碱)与碲酸铵在硫酸中的相互作用
Pub Date : 2023-12-18 DOI: 10.34198/ejcs.11124.141146
F. Sánchez-Viesca, Reina Gómez
The purpose of this study is to clear up what is happening in the test tube during the interaction of ammonium tellurate with noscapine in sulphuric acid (Brociner test). The approach is a Theoretical Organic Chemistry Study based on the chemical deportment of reagent and substrate, the reaction medium, and experimental conditions. This point out that a redox process is going up, with the following results: meta-telluric acid is formed in situ whose protonation yields the reactive species. Reaction with the methylenedioxy group present in noscapine affords an oxonium salt. Reaction proceeds when a water molecule forms a hemiacetal and an organometallic ester, a tellurate. Acidolysis of the latter gives rise to a concerted mechanism involving five electron-shifts. This way the following compounds are formed: tellurious acid, an ortho-benzoquinone, and formaldehyde. Tellurium dioxide results by acid catalyzed dehydration of tellurious acid.
本研究的目的是弄清在硫酸中碲酸铵与莨菪碱相互作用(布罗西纳试验)时试管中发生的情况。研究方法是基于试剂和底物的化学性质、反应介质和实验条件的理论有机化学研究。这表明氧化还原过程正在进行,结果如下:在原位形成了甲基碲酸,其质子化产生了反应物。与含有亚甲基二氧基的莨菪碱反应生成一种羰基盐。当水分子形成半缩醛和有机金属酯(碲酸盐)时,反应继续进行。后者的酸解产生了涉及五个电子转移的协同机制。这样就形成了以下化合物:碲酸、邻苯醌和甲醛。碲酸在酸催化下脱水生成二氧化碲。
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引用次数: 0
Perturbations on Oxybiotin Leading to Biotin. A DFT Treatment 对导致生物素的氧基生物素的扰动。DFT 处理
Pub Date : 2023-12-18 DOI: 10.34198/ejcs.11124.147161
L. Türker
In the present computational study, conversion of oxybiotin to biotin by means of oxygen to sulfur replacement has been investigated within the restrictions of density functional theory at the level of B3LYP/6-31++G(d,p). Both of the molecules have not only exothermic heat of formations but also favorable Gibbs free energy of formation values at the standard state. They are electronically stable. Various quantum chemical data accompanying the perturbation considered have been collected and discussed including UV-VIS spectra. The oxygen to sulfur replacement highly affects not only the distribution of molecular orbital energy levels but also the energies of the molecular orbitals in such a way that going from oxybiotin to biotin the HOMO energy level raises up but the LUMO decreases. The both occur at unequal extents thus biotin exhibits some bathochromic effect compared to oxybiotin.
本计算研究在 B3LYP/6-31++G(d,p)密度泛函理论的限制下,通过氧硫置换的方法研究了氧生物素向生物素的转化。这两种分子不仅具有放热的形成热,而且在标准状态下具有有利的吉布斯形成自由能值。它们在电子上是稳定的。我们收集并讨论了与所考虑的扰动相关的各种量子化学数据,包括紫外-可见光谱。从氧生物素到生物素,HOMO 能级升高,而 LUMO 能级降低。两者发生的程度不等,因此生物素与氧生物素相比具有一定的浴色效应。
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引用次数: 0
Tautomers of 2,4-dihydro-3H-1,2,4-triazol-3-one and their Composites with NTO - A DFT Treatment 2,4-二氢-3H-1,2,4-三唑-3-酮的同系物及其与 NTO 的复合材料 - DFT 处理
Pub Date : 2023-12-10 DOI: 10.34198/ejcs.11124.121140
L. Türker
In the present density functional study, some tautomers of 2,4-dihydro-3H-1,2,4-triazol-3-one (1,2-dihydro-1,2,4-triazol-3-one) and their composites formed with NTO have been considered within the constraints of the density functional theory and the basis set employed (B3LYP/6-311++G(d,p)). The triazolone considered is the precursor of NTO in various methods. It may exhibit 1,3-proton tautomerism. Various energies, QASR, quantum chemical and spectral properties have been harvested and discussed. All the considered species have exothermic heat of formation and favorable Gibbs free energy of formation values at the standard states and they are stable electronically. Although most of the composites considered exhibit a directed interaction between their partners, one of them possesses perpendicular (T-type) orientation. Certain hydrogen bondings between the tautomers and NTO occur at different extents, depending on the particular tautomer involved in the composite. Both of the components have hydrogen bond donor and acceptor properties except composite NTO+T2, in which the tautomer is the hydrogen bond donor and NTO is the acceptor. The tautomers absorb in the UV region of the spectrum like NTO, whereas in all the composites appreciable changes in the appearance of the spectra happen and certain degree of bathochromic effect occurs as compared to the respective spectra of the partners.
在本密度泛函研究中,在密度泛函理论和所使用的基础集(B3LYP/6-311++G(d,p))的限制下,考虑了 2,4-二氢-3H-1,2,4-三唑-3-酮(1,2-二氢-1,2,4-三唑-3-酮)的一些同系物及其与 NTO 形成的复合体。所考虑的三唑酮是各种方法中 NTO 的前体。它可能表现出 1,3-质子同分异构现象。我们收获并讨论了各种能量、QASR、量子化学和光谱特性。所考虑的所有物种在标准状态下都具有放热的形成热和有利的吉布斯形成自由能值,而且它们在电子上是稳定的。虽然所考虑的大多数复合材料在其伙伴之间表现出定向相互作用,但其中一种复合材料具有垂直(T 型)取向。同系物与 NTO 之间某些氢键的结合程度不同,这取决于复合材料中涉及的特定同系物。除 NTO+T2 复合物(其中同系物为氢键供体,NTO 为受体)外,其他两种成分都具有氢键供体和受体特性。同分异构体与 NTO 一样在光谱的紫外区吸收光谱,而在所有的复合材料中,光谱的外观都发生了明显的变化,与各自伙伴的光谱相比,出现了一定程度的浴色效应。
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引用次数: 0
Biogas Production from Plantain and Yam Peels: Modelling using Response Surface Methodology 利用车前草和山药皮生产沼气:利用响应面方法建模
Pub Date : 2023-12-08 DOI: 10.34198/ejcs.11124.105119
Koffi Kan Raymond Kouame, Abollé Abollé, A. Kouakou, K. Gbangbo, A. Ehouman, Benjamin Yao
The world’s growing demand for energy and our concern to preserve the environment have prompted research into alternative sources of energy. Renewable energy from biomass is one such opportunity. The aim of this study is to model the production of biogas from the anaerobic digestion of plantain and yam peelings and cattle dung. A characterisation of these residues showed their good suitability for methanisation with good moisture contents (˃70%), high volatile solids contents (˃75%) and C/N ratios of between 20 and 30. In addition, methanisation trials under mesophilic conditions following a mixing plan generated quantities of biogas ranging from 128 to 565 mL with CH4 contents of between 54.03 and 72.98%. The digester made up of 1/6 plantain peels + 2/3 yam peels + 1/6 cattle dung gave the best biogas yield with 565 mL for 67.52% CH4. The model established from these results is highly significant with an F value (1268.01) having a probability significantly lower than 0.05. In addition to the coefficients R2 (0.9994) and R2 (0.9986) which adjust are very close to unity, there is a good correlation between the experimental results and those predicted. This prediction model is therefore reliable for explaining biogas production. However, further study of the kinetics of anaerobic digestion and biogas treatment remains important.
世界对能源日益增长的需求和我们对保护环境的关注促使了对替代能源的研究。来自生物质的可再生能源就是这样一个机会。本研究的目的是模拟大车前草、山药皮和牛粪厌氧消化产生沼气的过程。表征表明,这些残留物具有良好的甲烷化适宜性,水分含量高(70%),挥发性固体含量高(75%),碳氮比在20 ~ 30之间。此外,根据混合计划,在中温条件下的甲烷化试验产生的沼气量在128至565 mL之间,CH4含量在54.03至72.98%之间。1/6车前草皮+ 2/3山药皮+ 1/6牛粪组成的沼气池沼气产量最佳,CH4浓度为67.52%,产气量为565 mL。根据这些结果建立的模型具有高度显著性,F值(1268.01)的概率显著小于0.05。除了调整后的系数R2(0.9994)和R2(0.9986)非常接近于1外,实验结果与预测结果有很好的相关性。因此,该预测模型对于解释沼气生产是可靠的。然而,进一步研究厌氧消化和沼气处理的动力学仍然很重要。
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引用次数: 0
Ladder-like Organostannoxane: Synthesis and Crystal Structure of the Second Polymorph {[(C6H5)2Sn]2[(C6H5)2ClSn]2(μ3-O)2(μ2-OH)2}∙[DMF]2 梯状有机锡氧烷:第二种多晶体{[(C6H5)2Sn]2[(C6H5)2ClSn]2(μ3-O)2(μ2-OH)2}∙[DMF]2的合成与晶体结构
Pub Date : 2023-11-21 DOI: 10.34198/ejcs.11124.083103
M. Sarr, M. Diop, Mouhamadou Sembéne Boye, Aminata Diasse-Sarr, L. Diop,, Allen G. Oliver
A ladder-like organostannoxane identified as a polymorph of bis-[chloro-(m2-hydroxo)-(m3-oxo)-tetraphenyl-di-tin] dimethylformamide solvate, {[(C6H5)2Sn]2[(C6H5)2ClSn]2(μ3-O)2(μ2-OH)2}[DMF]2 (1), has been synthesized and structurally characterized by means of single-crystal X-ray diffraction analysis. Compound 1 crystallizes in the monoclinic space group P21/c with a = 23.4137(12) Å, b = 11.2525(6) Å, c = 20.2719(11) Å, β = 100.461(2)°, V = 5252.1(5) Å3, Z = 4 and Z’ = 1. The XRD discloses that the polymorph reported in this work is the full molecule which does not crystallize about any inversion center. Complex 1 exhibits a tetranuclear organotin(IV) ladder-like structure containing two external chlorides. The tetranuclear structure is comprised of a three-rung-staircase Sn4O4 cluster which consists of a ladder of four Sn2O2 units. The central Sn2O2 core forms dihedral angles of 4.00(7)° and 1.62(8)° with its two fused four-membered rings, describing a slightly bent ladder. This folding is further noticed with the dihedral angle between the two external Sn2O2 cores of 4.65(8)°. In the structure, two types of distorted trigonal bipyramid geometry at tin centers like-arrangement are disclosed. The most Sn–O bridges bond lengths describe a static trans effect affording dissymmetrical bonds. The dimethylformamide solvate molecules form a dihedral angle of 74.5(2)° and are interlinked to the tetranuclear organotin(IV) ladder via O–H···O hydrogen bond patterns. Additional inner C–H···Cl and C–H···O hydrogen bonds as well the C–H···O interactions are present. Moreover, the intermolecular C–H···O hydrogen bonds do not contribute to direct the crystal structure framework; they do not play an important function in forming a supramolecular architecture.
通过单晶 X 射线衍射分析,合成了一种阶梯状有机锡氧烷,它是双-[氯-(m2-羟基)-(m3-氧代)-四苯基-二锡]二甲基甲酰胺溶胶 {[(C6H5)2Sn]2[(C6H5)2ClSn]2(μ3-O)2(μ2-OH)2}[DMF]2 (1) 的多晶体。化合物 1 结晶于单斜空间群 P21/c,a = 23.4137(12) Å,b = 11.2525(6) Å,c = 20.2719(11) Å,β = 100.461(2) °,V = 5252.1(5) Å3,Z = 4 和 Z' = 1。XRD 显示,这项工作中报告的多晶体是完整的分子,没有围绕任何反转中心结晶。络合物 1 呈四核有机锡(IV)阶梯状结构,包含两个外部氯化物。该四核结构由一个由四个 Sn2O2 单元组成的阶梯状三行梯级 Sn4O4 簇组成。中央 Sn2O2 核心与两个融合的四元环分别形成 4.00(7)° 和 1.62(8)° 的二面角,描述了一个略微弯曲的阶梯。当两个外部 Sn2O2 内核之间的二面角为 4.65(8)°时,这种折叠现象就更加明显了。在该结构中,锡中心有两种类似排列的扭曲三叉双锥几何结构。大部分 Sn-O 桥键长度描述了一种静态反式效应,产生了不对称键。二甲基甲酰胺溶胶分子形成了 74.5(2)° 的二面角,并通过 O-H-O 氢键模式与四核有机锡(IV)阶梯相互连接。此外,还存在其他内部 C-H-Cl 和 C-H-O 氢键以及 C-H-O 相互作用。此外,分子间的 C-H-O 氢键无助于引导晶体结构框架;它们在形成超分子结构方面没有发挥重要作用。
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引用次数: 0
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Earthline Journal of Chemical Sciences
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