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Electrochemical remediation of industrial pharmaceutical wastewater containing hormones in a pilot scale treatment system 含激素工业制药废水的电化学修复中试研究
Pub Date : 2019-01-28 DOI: 10.26850/1678-4618EQJ.V44.1.2019.P40-52
R. L. Morais, L. F. Garcia, E. K. Moreno, Douglas Vieira Thomaz, L. Rodrigues, L. Brito, G. S. Lobón, G. Oliveira, M. F. Rodrigues, B. Vaz, E. Gil
The elimination of residual drugs from pharmaceutical and domestic sources is a growing concern, as they are able to reach water and soil resources and can present environmental and health risks even in very low concentrations. Traditional water and wastewater treatment systems have not been efficient in the removal of these compounds, evidencing the importance of the development of new remediation methods. In view of the applicability and versatility of electrocoagulation techniques in the removal of pollutants, the aim of this work is to evaluate the parameters:  biochemical oxygen demand (BOD), chemical oxygen demand (COD), color, turbidity, algestone acetophenide (AAc) and estradiol enanthate (EEn) using a pilot treatment system, as well as phytotoxicity and Brine shrimp toxicity. The study showed good removal efficiency, comprising remarkable remediation performance assayed through BOD (61.5%), COD (58.6%), color (83.1%), turbidity (96.7%), AAc (77.0%) and EEn (56.7%) after 30 minutes. For toxicity, raw effluent was considered more phytotoxic for lettuce and cucumber seeds when compared to treated effluent.  The results suggest that the pilot prototype was promising, providing an increase in both the germination potential and the root growth of the seeds (Lactuca sativa and Cucumis sativus) and a significant decrease in the acute toxicity to Artemia salina.
消除来自制药和家庭来源的残留药物是一个日益令人关切的问题,因为它们能够到达水和土壤资源,即使浓度极低也可能造成环境和健康风险。传统的水和废水处理系统在去除这些化合物方面效率不高,这证明了开发新的修复方法的重要性。鉴于电絮凝技术在去除污染物方面的适用性和通用性,本研究采用中试处理系统,对电絮凝技术的生化需氧量(BOD)、化学需氧量(COD)、颜色、浊度、代石苯乙酯(AAc)和雌二醇烯酸酯(EEn)等参数以及植物毒性和卤虾毒性进行了评价。实验结果表明,废水的去除率较高,处理30 min后,通过BOD(61.5%)、COD(58.6%)、色度(83.1%)、浊度(96.7%)、AAc(77.0%)和EEn(56.7%)进行修复。在毒性方面,与处理过的废水相比,原始废水被认为对生菜和黄瓜种子具有更大的植物毒性。结果表明,该中试样品具有良好的应用前景,其种子(Lactuca sativa和Cucumis sativus)的发芽率和根系生长均有所提高,对蒿的急性毒性显著降低。
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引用次数: 12
Physicochemical and biological activity studies on complexes of some transition elements with mixed ligands of glycine and urea 一些过渡元素与甘氨酸和尿素混合配体配合物的物理化学和生物活性研究
Pub Date : 2018-12-05 DOI: 10.26850/1678-4618EQJ.V43.4.2018.P25-36
M. A. Al.Maqtari, M. K. Al-qadasy, Y. Jamil, F. Al-Azab, A. A. Al-Gaadbi
The reaction of urea (ur) and glycine (gly) with the metal ions Co(ΙΙ), Ni(ΙΙ) and Cu(ΙΙ) in ethanolic solution of 1M:1L1:1L2 molar ratio (where M= Co(II), Ni(II) and Cu(II), and L1 = urea L2 = glycine) led to the preparation of complexes of the general formula [M(ur)(gly)(H2O)2]Cl. Elemental microanalysis (CHN), molar conductivity measurements, IR,1HNMR, Mass and UV-VIS spectroscopic, and magnetic susceptibility measurements were used for the characterization of the compounds. Thermal analyses were used for the complexes degradation characterization. The complexes have an octahedral geometry and are of electrolytic nature in DMSO solvent with the absence of inner-sphere coordination of the chloride anion. An inhibition zone was observed for Ni-urea-glycine complex against Escherichia coli when the biological activity was considered.
尿素(ur)和甘氨酸(gly)与金属离子Co(ΙΙ)、Ni(ΙΙ)和Cu(ΙΙ)在1M:1L1:1L2摩尔比(M= Co(II)、Ni(II)和Cu(II), L1 =尿素L2 =甘氨酸)的乙醇溶液中反应,制得通式[M(ur)(gly)(H2O)2]Cl的配合物。采用元素微量分析(CHN)、摩尔电导率测量、IR、1HNMR、质量和紫外可见光谱以及磁化率测量对化合物进行了表征。采用热分析方法对配合物进行降解表征。该配合物具有八面体结构,在DMSO溶剂中具有电解性质,且没有氯阴离子的球内配位。在考虑生物活性时,观察到镍脲甘氨酸复合物对大肠杆菌有抑制带。
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引用次数: 1
Simple, fast and inexpensive method for determination of ranitidine hydrochloride based on conductometric measurements 电导法测定盐酸雷尼替丁的简便、快速、廉价方法
Pub Date : 2018-12-05 DOI: 10.26850/1678-4618eqj.v43.4.2018.p37-43
E. H. Bindewald, João Carlos Rosa-Sobrinho, M. Bergamini, L. Marcolino-Junior
This work aims the development and optimization of an alternative method for ranitidine hydrochloride (RAN-HCl) determination. The proposed method was based on conductometric titration of RAN by precipitation of AgCl solid using a solution of AgNO3 as titrant. It was investigated the possibility of performing the titrations on hydroalcoholic and deionized water medium. A limit of detection of 1.0 mmol L-1 and 0.5 mmol L-1 were achieved for RAN titration in deionized water and in a 75:25 hydroalcoholic mixture, respectively. Such behavior is attributed to the dielectric constant of hydroalcoholic medium, which is lower than aqueous solution, making AgCl more insoluble and improving the resolution of the conductivity curve around the end point. Therefore, it is concluded that the conductometric titration method to determine RAN using AgNO3 as titrant proved to be feasible at low drug concentrations. The statistical calculations for obtained results suggested good precision for the conductometric method. According to t-test, there were no significant differences between found values at a 95% confidence level. Moreover, obtained results showed an excellent performance of the proposed method on quality control of RAN-HCl in generic formulations without any sample pretreatment.
本工作旨在建立和优化盐酸雷尼替丁(RAN-HCl)的替代测定方法。本文提出了一种以AgNO3溶液为滴定剂,通过沉淀AgCl固体来电导滴定RAN的方法。探讨了在氢醇和去离子水介质上进行滴定的可能性。在去离子水和75:25的水酒精混合物中,RAN滴定的检出限分别为1.0 mmol L-1和0.5 mmol L-1。这是由于氢醇介质的介电常数比水溶液低,使得AgCl更不溶,提高了终点附近电导率曲线的分辨率。因此,在低药物浓度下,以AgNO3为滴定剂的电导滴定法测定RAN是可行的。所得结果的统计计算表明,电导法具有良好的精度。根据t检验,在95%的置信水平上,发现值之间没有显著差异。此外,所得结果表明,该方法在不进行样品预处理的情况下,可用于通用制剂中RAN-HCl的质量控制。
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引用次数: 0
Synthesis, Characterization and Comparative Thermal degradation study of Co(II), Ni(ΙΙ) and Cu(II) complexes with Asparagine and Urea as mixed ligands 以天冬酰胺和尿素为混合配体的Co(II)、Ni(ΙΙ)和Cu(II)配合物的合成、表征及热降解比较研究
Pub Date : 2018-12-05 DOI: 10.26850/1678-4618EQJ.V43.4.2018.P11-24
Y. Jamil, M. A. Al.Maqtari, F. Al-Azab, M. K. Al-qadasy, A. A. Al-Gaadbi
New Co(II), Ni(II) and Cu(II) complexes with urea and asparagine as ligands have been synthesized in (M:L1:L2) molar ratio (where M= Co(II), Ni(II) and Cu(II), L1 =urea, and  L2 =asparagine) then identified by micro analytical data, molar conductance measurements,  IR, 1HNMR, Mass, UV-VIS spectroscopies and magnetic susceptibility measurements. Thermal degradation studies were carried out by thermal analysis. These complexes have the general formula [M(L1)(L2)(H2O)n]Cl. The molar conductance values in DMSO solvent show the electrolytic nature of these complexes, indicating the outer-sphere coordination of the chloride anions with metal ions. The three complexes have an octahedral structure although urea has shown two modes of coordination. Thermal analysis study shows rapid decomposition reaction for Ni complex and the highest thermal stability for Cu complex. The kinetic parameters were determined from the thermal decomposition data using the Coats-Redfern method. Thermodynamic parameters were calculated using standard relations.
以尿素和天冬酰胺为配体,以(M:L1:L2)摩尔比(M = Co(II), Ni(II)和Cu(II), L1 =尿素,L2 =天冬酰胺)合成了新的Co(II), Ni(II)和Cu(II)配合物,并通过微量分析数据,摩尔电导测量,IR, 1HNMR,质量,紫外-可见光谱和磁化率测量进行了鉴定。热降解研究是通过热分析进行的。这些配合物的通式为[M(L1)(L2)(H2O)n]Cl。DMSO溶剂中的摩尔电导值显示了这些配合物的电解性质,表明氯离子与金属离子的外球配位。这三种配合物均为八面体结构,但尿素表现出两种配位模式。热分析表明,Ni配合物分解反应快,Cu配合物热稳定性好。利用Coats-Redfern法从热分解数据中确定了动力学参数。采用标准关系式计算热力学参数。
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引用次数: 6
Dark breather using symmetric Morse, solvent and external potentials for DNA breathing 黑暗呼吸使用对称莫尔斯,溶剂和DNA呼吸的外部电位
Pub Date : 2018-12-05 DOI: 10.26850/1678-4618EQJ.V43.4.2018.P44-49
H. C. Gutiérrez, M. C. Gutiérrez, G. I. F. Rivera, L. J. C. F. Rivera, D. F. R. Vallejo
We analyze the dynamics and the quantum thermodynamics of DNA in Symmetric-Peyrard-Bishop-Dauxois model (S-PBD) with solvent and external potentials and describe the transient conformational fluctuations using dark breather and the ground state wave function of the associate Schrodinger differential equation.  We used the S-PBD, the Floquet theory, quantum thermodynamic and finite difference methods. We show that for lower coupling dark breather is present.  We estimate the fluctuations or breathing of DNA. For the S-PBD model we have the stability of dark breather for k<0.004 and mobile breathers with coupling k=0.004. The fluctuations of the dark breather in the S-PBD model is approximately zero with the quantum thermodynamics. The viscous and external potential effect is direct proportional to hydrogen bond stretching.
本文在具有溶剂和外电位的对称- peyrard - bishop - dauxois模型(S-PBD)中分析了DNA的动力学和量子热力学,并利用暗呼吸和关联薛定谔微分方程的基态波函数描述了DNA的瞬态构象涨落。我们使用了S-PBD, Floquet理论,量子热力学和有限差分方法。我们表明,对于低耦合暗呼吸是存在的。我们估计DNA的波动或呼吸。对于S-PBD模型,我们得到了k<0.004时暗呼吸器的稳定性和耦合k=0.004时移动呼吸器的稳定性。在量子热力学条件下,S-PBD模型中暗呼吸子的涨落近似为零。黏性和外电位效应与氢键拉伸成正比。
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引用次数: 3
Antioxidant capacity of Melissa Officinalis L. on Biological Systems 生物系统抗氧化能力研究
Pub Date : 2018-10-10 DOI: 10.26850/1678-4618EQJ.V43.3.2018.P19-29
J. M. Franco, S. P. Pugine, A. M. Scatolini, M. Melo
The aim of the present study was to evaluate in vitro antioxidant capacity of Melissa extract (ME) (Melissa officinalis L.) and its protective effect on peroxyl radical-induced oxidative damage in erythrocytes. ME used in present study was obtained by rota-evaporation of the crude extract (ethanol:water/dried leaves). Total phenolic and flavonoids contend determination, 176.8 ± 13.2 mg GAE/g dw and  26.2 ± 3.2 mg QE/g dw, respectively).  Total equivalent antioxidant activities, TEAC in mg TE/g dw, were 61.4 ± 5.5 and 512.4 ± 77.2 for respective FRAP assay and DPPH• radical-scavenging. The ME acts as an antioxidant on NO and O2•-, when ME exerted a higher antioxidant action on NO scavenging to compared to the ascorbic acid (1.9 times), however, the antioxidant capacity of ME on O2•- was lower than ascorbic acid (5.6 times). The values of hemolysis inhibition from ME (IC50, 2.0 ± 0.5 mg/mL) were higher than ascorbic acid (IC50, 7.1 ± 1.8 mg/mL). Extract of Melissa was able to eliminate biological free radicals, suggesting a potential to prevent oxidative damage in vivo. In fact, the ME exerted protective action on cell membrane lysis in situ.
本研究旨在评价梅莉莎提取物(Melissa officinalis L.)的体外抗氧化能力及其对过氧自由基诱导的红细胞氧化损伤的保护作用。本研究中使用的代谢能是通过对粗提取物(乙醇:水/干叶)进行旋转蒸发得到的。总酚和总黄酮含量分别为176.8±13.2 mg GAE/g dw和26.2±3.2 mg QE/g dw)。FRAP测定和DPPH•自由基清除的总等效抗氧化活性TEAC (mg TE/g dw)分别为61.4±5.5和512.4±77.2。代谢能对NO和O2•-具有抗氧化作用,其对NO的清除能力是抗坏血酸的1.9倍,但对O2•-的清除能力低于抗坏血酸的5.6倍。ME对溶血的抑制作用(IC50, 2.0±0.5 mg/mL)高于抗坏血酸(IC50, 7.1±1.8 mg/mL)。梅莉莎提取物能够消除生物自由基,提示其具有防止体内氧化损伤的潜力。事实上,ME对细胞膜的原位裂解发挥了保护作用。
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引用次数: 2
The correlation between electronic structure and antitumor activity of a seletive focal adhesion kinase inhibitors 一种选择性黏附激酶抑制剂的电子结构与抗肿瘤活性的关系
Pub Date : 2018-10-10 DOI: 10.26850/1678-4618eqj.v43.3.2018.p10-18
Daniel Augusto Barra de Oliveira
Focal Adhesion Kinase (FAK) is a non-tyrosine kinase responsible to phosphorylate other enzymes associated with signal transduction. This biochemical process plays an important role to control cancer. FAK is found overexpressed in the organism during metastasis. Since FAK may be involved in the invasion and metastasis of cancer, novel molecules based on drug design have been synthesized over the past few years. The inhibitors are designed to mimic the natural substrate which is the ATP molecule. This work studied the hydrogen bonds performed between inhibitors and FAK and other electronic properties involved in this interaction. The molecular structure of FAK docked with the inhibitors was simulated using classical molecular dynamics. FAK/ inhibitor complex obtained by dynamic was optimized using quantum mechanical ab-initio calculation. Our results show that all inhibitors interact with Cys502 located in the FAK-binding site. Ab-initio calculations show that HOMO orbital is situated under Met499 and Glu500 amino acids indicating chemical reactivity in this region. The results of molecular dynamics combined with quantum chemical calculations show that the sulfonamide has a strong hydrogen bond with close distances, while the thiazole has a weak hydrogen bond with long distances. Sulfonamide has known good activity against FAK while the thiazole molecule has an unknown activity. These results allow predicting that the molecule of thiazole is a not good inhibitor to FAK inhibition.
焦点黏附激酶(FAK)是一种非酪氨酸激酶,负责磷酸化与信号转导相关的其他酶。这一生化过程对控制癌症起着重要作用。在转移过程中发现FAK在机体中过度表达。由于FAK可能参与癌症的侵袭和转移,在过去的几年里,基于药物设计的新分子已经被合成。抑制剂被设计成模拟天然底物,即ATP分子。本工作研究了抑制剂和FAK之间的氢键以及这种相互作用所涉及的其他电子性质。用经典分子动力学方法模拟了与抑制剂对接的FAK的分子结构。采用量子力学从头算法对动力学得到的FAK/抑制剂配合物进行优化。我们的研究结果表明,所有抑制剂都与位于fak结合位点的Cys502相互作用。Ab-initio计算表明HOMO轨道位于Met499和Glu500氨基酸下,表明该区域具有化学反应性。分子动力学结合量子化学计算结果表明,磺胺类化合物具有强氢键且距离较近,而噻唑类化合物具有弱氢键且距离较远。已知磺胺对FAK有良好的活性,而噻唑分子对FAK的活性未知。这些结果可以预测噻唑分子对FAK的抑制作用不是很好。
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引用次数: 0
Biosorption of 5G blue reactive dye using waste rice husk 废稻壳对5G蓝色活性染料的生物吸附
Pub Date : 2018-10-10 DOI: 10.26850/1678-4618EQJ.V43.3.2018.P45-58
I. L. C. Junior, L. Finger, Poliana Quitaiski, Samuel Mathias Neitzke, Josue Victor Besen, Maike Krug Correa, J. Mees
In this study, the biosorption was used on the removal of 5G blue dye using rice husk residue. Was evaluated the influence of temperature and pH on the biomass pretreated with H3PO4 and NH4Cl. The tests were realized in batch with previous determination of point of zero charge (PZC). Analytical measurements were performed by UV-Vis spectroscopy.  It was observed a major influence of pH and temperature on the biosorption capacity of the dye, being the highest removal obtained for the condition of pH 2 and temperature of 50 °C. The time for the biomass-dye system to reach equilibrium was around 45 min. The kinetic model of pseudo-first order adequately represented experimental data and had a good correlation coefficient. In the equilibrium study, it was verified that the Langmuir isotherm was the best fit for the experimental data, with a maximum biosorption capacity of 3,84 mg g-1. The use of rice husk as a biosorbent for the removal of reactive blue 5G dye can be considered promising for the abundance of this residue and the observed sorption capacity
本研究以稻壳渣为原料,采用生物吸附法去除5G蓝色染料。考察了温度和pH对H3PO4和NH4Cl预处理的生物量的影响。试验是在预先确定零电荷点(PZC)的情况下分批进行的。采用紫外可见光谱法进行分析测定。观察到pH和温度对染料的生物吸附能力有主要影响,在pH为2和温度为50°C的条件下,染料的去除率最高。生物质-染料体系达到平衡的时间约为45 min。拟一阶动力学模型充分表征了实验数据,具有良好的相关系数。在平衡研究中,验证了Langmuir等温线最符合实验数据,最大生物吸附量为3,84 mg g-1。利用稻壳作为生物吸附剂去除活性蓝色5G染料,由于这种残留物的丰度和观察到的吸附能力,可以被认为是有前途的
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引用次数: 6
Validation of analytical methodology for determination of Personal Care Products in environmental matrix by GC-MSMS 气相色谱-质谱联用法测定环境基质中个人护理用品分析方法的验证
Pub Date : 2018-10-10 DOI: 10.26850/1678-4618EQJ.V43.3.2018.P30-36
T. C. Filippe, Franciane de Almeida Brehm Goulart, Alinne Mizukawa, J. Azevedo
The presence of personal care products in the environment is recent and relatively few researches work with the quantification of this class of emerging contaminants in Brazil. However, a wide variety of these products is continuously released into the aquatic environment. The growing interest in these substances occurs mainly because they exhibit biological activity in very low concentrations, which gives great environmental relevance. The difficulty of detecting and quantifying such contaminants in the environment encourages the development and validation of appropriate analytical methods for this purpose. Therefore, the present study aims to validate a methodology and verify its efficiency in the determination of six personal care products, among them parabens and triclosan. The samples were submitted to the solid phase extraction process and were later analyzed by gas chromatography coupled with mass spectrometry for the determination of personal care products. The validation of the methodology used was based on the standards established by the National Health Surveillance Agency. The extraction and quantification method were efficient for the determination of these analytes in water samples.
个人护理产品在环境中的存在是最近的,相对较少的研究工作与巴西这类新出现的污染物的量化。然而,各种各样的这些产品不断地释放到水生环境中。对这些物质日益增长的兴趣主要是因为它们在极低浓度下表现出生物活性,这具有很大的环境相关性。检测和量化环境中这类污染物的困难鼓励为此目的开发和验证适当的分析方法。因此,本研究旨在验证一种方法并验证其在六种个人护理产品中测定的效率,其中包括对羟基苯甲酸酯和三氯生。样品经固相萃取处理,然后用气相色谱联用质谱法分析,用于个人护理用品的测定。所用方法的验证是根据国家卫生监督局制定的标准进行的。该提取定量方法对水样中这些分析物的测定是有效的。
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引用次数: 4
Determination of the concentration of Ce, La, Sm and Eu in a phosphogypsum stack, in Imbituba city, Santa Catarina, Brazil 巴西圣卡塔琳娜州Imbituba市磷石膏堆中Ce、La、Sm和Eu浓度的测定
Pub Date : 2018-10-10 DOI: 10.26850/1678-4618EQJ.V43.3.2018.P37-44
R. C. Borges, L. M. Marques, C. Mahler, A. V. B. Bernedo
Phosphate fertilizer industry produces phosphoric acid from phosphate rocks, and as a byproduct, it produces phosphogypsum, also known as agricultural gypsum. This material was stock an open-air stacks near the producing units. In order to determine levels of rare-earth elements in phosphogypsum stacks, located in Imbituba, Brazil. Samples of 1000 grams of phosphogypsum were collected in nine different points in stack 1. The concentration of rare-earth elements was determined through neutron activation analysis and results indicate significant values of rare earth elements in the phosphogypsum from Imbituba, when compared to the values of the Earth’s crust.
磷肥工业从磷矿中生产磷酸,其副产品是磷石膏,又称农业石膏。这些材料储存在生产单位附近的露天烟囱中。为了确定位于巴西Imbituba的磷石膏堆中稀土元素的含量。在堆1的9个不同的点收集了1000克磷石膏样品。通过中子活化分析确定了Imbituba磷石膏中稀土元素的浓度,结果表明Imbituba磷石膏中的稀土元素与地壳中的稀土元素相比具有显著的数值。
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引用次数: 5
期刊
Eclética Química Journal
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