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Efficient coal concentration using a short-chain amine-type compound as collector reagent: Flotation and optimization studies 短链胺型化合物捕收剂高效选煤:浮选及优化研究
IF 0.5 4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i1.63358
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引用次数: 0
Experimental investigation of new compound adsorption on carbon steel in 1M HCl 新型化合物在碳钢上吸附1M HCl的实验研究
IF 0.5 4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i1.63539
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引用次数: 0
Corrosion inhibition of carbon steel by acridine orange in HCl solution: Electrochemical and weight loss studies 吖啶橙在盐酸溶液中对碳钢的缓蚀作用:电化学和减重研究
IF 0.5 4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i1.62034
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引用次数: 1
Synthesis, DFT and antioxidant studies of 2-(alkylamino)-4-(naphth-2-yl) thiazole 2-(烷基胺)-4-(萘-2-基)噻唑的合成、DFT及抗氧化研究
IF 0.5 4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i2.67293
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引用次数: 0
Sesame lignans as promising anti-inflammatory agent: Exploring novel therapeutic avenues with in silico and computational approach 芝麻木脂素作为有前途的抗炎剂:用计算机和计算方法探索新的治疗途径
IF 0.5 4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i4.70867
A. Chakraborty, N. Chatterjee, S. Dey, P. Dhar
Innumerable health-beneficial properties of sesame lignans like sesamol, sesamolin, sesamin and sesaminol make them lucrative agents in the pharmaceutical industry. To specify the mode of action of these phytochemicals, detailed computational physicochemical properties evaluation, and toxicity assessment (using free web servers and databases), as well as binding interactions with physiological inflammatory effectors (such as COX-2, TNF-α , IL-1 β , IL-6) by means of rigid ligand-receptor docking (using software), have been thoroughly investigated. Interestingly, sesame lignans are conformed to have drug-likeness, indicating their efficacy and suitability like established therapeutics. These bioactive lignans possess drug-like attributes and effectively act as ligands in the present in-silico study. The basic pharmacokinetic profile of these compounds has suggested non-polar solvents or delivery systems for them to enhance their bioavailability in physiological systems. However, all the sesame lignans are toxic to the liver cells with a50 % lethal dose in the range of 500-1500 mg/kg. Toxicity study indicated minimum toxicity of lignans to normal cellular milieu, but noticeable cytotoxic effects against several cancerous cell lines suggesting their anti-carcinogenic properties. Finally, the findings of the molecular docking study have depicted a high affinity of these ligands for target proteins, even better than traditional anti-inflammatory drugs-Indomethacin and Ibuprofen. The molecular interactions have represented sesaminol as the most effective and Sesamol as the least potent ligand for target receptor whereas COX-2 seems to be the most vulnerable target. The docking scores varied widely (-4.7 to -11.0 kcal/mol). The present in-silico approach is expected to provide valuable resources for optimizing bioactive molecules as future-generation therapeutics before pre-clinical and clinical studies.
芝麻木脂素的无数有益健康的特性,如芝麻酚、芝麻素、芝麻素和芝麻素,使它们成为制药行业利润丰厚的代理商。为了明确这些植物化学物质的作用模式,详细的计算理化性质评估和毒性评估(使用免费的web服务器和数据库),以及通过刚性配体-受体对接(使用软件)与生理炎症效应物(如COX-2, TNF-α, IL-1 β, IL-6)的结合相互作用进行了深入研究。有趣的是,芝麻木脂素与药物相似,表明它们的疗效和适用性与现有的治疗方法相似。这些具有生物活性的木脂素具有类似药物的属性,在目前的计算机研究中有效地充当配体。这些化合物的基本药代动力学特征表明,非极性溶剂或递送系统可以提高它们在生理系统中的生物利用度。然而,所有的芝麻木脂素对肝细胞都有毒性,在500- 1500mg /kg的范围内有50%的致死剂量。毒性研究表明木脂素对正常细胞环境的毒性最小,但对几种癌细胞有明显的细胞毒性作用,表明其具有抗癌作用。最后,分子对接研究的结果表明,这些配体对靶蛋白具有很高的亲和力,甚至比传统的消炎药——吲哚美辛和布洛芬更好。分子相互作用表明芝麻醇是最有效的靶受体配体,而芝麻醇是最弱的靶受体配体,而COX-2似乎是最脆弱的靶标。对接分数变化很大(-4.7到-11.0千卡/摩尔)。目前的计算机方法有望为优化生物活性分子提供宝贵的资源,作为临床前和临床研究之前的下一代治疗方法。
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引用次数: 1
Effect of atmospheric condition on the thermal decomposition kinetics and thermodynamics of lead acetate trihydrate 大气条件对三水合乙酸铅热分解动力学和热力学的影响
IF 0.5 4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i4.70915
G. K. Çılgı
In this study thermal decomposition routes and kinetics of lead acetate triydrate are compared in inert (nitrogen) and reactive (oxygen) atmospheres by using thermogravimetric method. The decomposition proceeds with five consecutive stages in the both the atmospheres. The first four stages occur similarly in nitrogen and oxygen atmospheres and the same intermediates are formed. However, the last stage, differs according to the furnace atmosphere. The mixture of PbO and small amount metallic Pb is the final product in nitrogen atmosphere whereas the mixture of PbO and Pb 3 O 4 is the final product in oxygen atmosphere. X-ray powder diffraction method is used in identify of these products. Kinetic calculations of all stages are realized by using Kissinger–Akahira–Sunose (KAS) and Flynn–Wall–Ozawa (FWO) model free methods. These methods are combined with modeling equations to find the effective model and to calculate thermodynamic parameters. It is found that all reactions show good harmony with the nucleation models although their indexes are different.
本文用热重法比较了三水合乙酸铅在惰性(氮)气氛和活性(氧)气氛下的热分解路线和动力学。分解过程在两种大气中分五个连续阶段进行。前四个阶段在氮气和氧气环境中发生相似,形成相同的中间产物。然而,最后阶段,根据炉内气氛不同而不同。在氮气气氛下,最终产物为PbO和少量金属Pb的混合物,而在氧气气氛下,最终产物为PbO和pb3o4的混合物。采用x射线粉末衍射法对这些产品进行鉴定。采用Kissinger-Akahira-Sunose (KAS)和Flynn-Wall-Ozawa (FWO)无模型方法实现了各阶段的动力学计算。将这些方法与建模方程相结合,寻找有效模型并计算热力学参数。结果表明,虽然各反应指标不同,但均与成核模型表现出较好的一致性。
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引用次数: 1
In silico analysis of cubebinol for evaluating its efficiency against menacing respiratory ailments 对立方酚的硅分析,以评估其对威胁性呼吸系统疾病的有效性
IF 0.5 4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i4.71631
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引用次数: 0
Electrical impedance analysis of ZnO thin films for ammonia gas sensors 氨气传感器用ZnO薄膜的电阻抗分析
IF 0.5 4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i4.71226
R.Mariappan, S. Dinagaran, P. Srinivasan, S. Vijayakumar
The electrical impedance analysis of the ZnO films has been performed using complex impedance spectroscopy in the frequency range from 100 Hz to 1 MHz with temperature change from 70 to 175 ℃ . Combined impedance and modulus plots have been used to analyse the sample behaviour as a function of frequency at different temperatures. Temperature dependence of ac conductivity indicates that the electrical conduction in the material is a thermally activated process. The frequency dependence of the ac conduction activation energy is found to obey a mathematical formula. It is concluded that the conductivity mechanism in the ZnO sensor is controlled by surface reaction. The operating temperature of the ZnO gas sensor is 175 ℃ . The impedance spectrum also exhibited a decreased semicircle radius as the ammonia concentration is increased from 50 to 500 ppm. In addition, the impedance spectrum also exhibited a decreased semicircle radius with the exposure time increase from 0 to 20 min thereafter slightly increased. Impedance spectroscopy analysis has shown that the resistance variation due to grain boundaries significantly contributed to the gas sensor characteristics.
采用复阻抗谱法对ZnO薄膜进行了电阻抗分析,频率范围为100 Hz ~ 1 MHz,温度范围为70 ~ 175℃。结合阻抗和模量图已被用来分析样品的行为作为频率在不同温度下的函数。交流电导率的温度依赖性表明材料中的导电是一个热激活过程。发现交流传导活化能的频率依赖性服从一个数学公式。结果表明,ZnO传感器的导电机理是由表面反应控制的。ZnO气体传感器的工作温度为175℃。当氨浓度从50 ppm增加到500 ppm时,阻抗谱的半圆半径也减小。此外,阻抗谱的半圆半径也随暴露时间的增加而减小,暴露时间从0增加到20 min,之后略有增加。阻抗谱分析表明,晶界引起的电阻变化对气体传感器的特性有重要影响。
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引用次数: 0
Enhanced sequestration of commercial Auramine O dye in a Fenton oxidative decolourization process Fenton氧化脱色法对工业金胺O染料的强化吸附
4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i5.5207
The present work investigates the Fenton degradation of commercial Auramine O dye from a model solution through advanced oxidation process (AOP). The effects of initial pH, ferrous ion and H2O2 concentration have been evaluated with respect to the extent of decolourization of the feed solution. A maximum decolourization to the tune of 91.8% is accomplished at a pH of 3.0. The effect of various doses of Fe2+ and H2O2 on the percentage reduction in chemical oxygen demand (COD) is investigated at a constant pH. 84.9% reduction of COD is obtained using a combination of 48 mL/L H2O2 and 6 g/L Fe2+. The gas chromatography-mass spectrometry analysis reveals the presence of toxic non-biodegradable Auramine O dye in the model solution before the Fenton AOP, which is degraded into several compounds including CO2 after 30 min of Fenton AOP. The spectral output from FTIR analysis corroborates the molecular rearrangement during Fenton process with consequent degradation.
本文研究了用高级氧化法(AOP)从模型溶液中Fenton降解工业金胺O染料。考察了初始pH、亚铁离子和H2O2浓度对料液脱色程度的影响。在pH值为3.0时,脱色率最高可达91.8%。在一定ph条件下,研究了不同浓度的Fe2+和H2O2对化学需氧量(COD)降低率的影响。48 mL/L H2O2和6 g/L Fe2+的组合可使COD降低84.9%。气相色谱-质谱分析表明,在Fenton AOP前,模型溶液中存在有毒的不可生物降解的金胺O染料,在Fenton AOP 30 min后,金胺O染料被降解为包括CO2在内的几种化合物。FTIR分析的光谱输出证实了芬顿过程中的分子重排和随后的降解。
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引用次数: 0
Adsorptive removal of malachite green using ferromagnetic sterculia gum – graft- poly(n-isopropylacrylamide-co-acrylamide)/magnetite nanocomposite 铁磁固胶-接枝-聚(n-异丙烯酰胺-共丙烯酰胺)/磁铁矿纳米复合材料吸附去除孔雀石绿
4区 工程技术 Q4 CHEMISTRY, APPLIED Pub Date : 2023-01-01 DOI: 10.56042/ijct.v30i5.5193
In present scenario, anthropogenic activities have degraded the quality of water bodies to an unbearable level. Discharge of untreated industrial and other effluents have made the water unconsumable. Present work is an attempt to fabricate new stimuli responsive adsorbent based on natural exudate gum sterculia, an indigenous natural gum for uptake of a cationic dye malachite green. Magnetic field responsive terculia gum–graft-poly(n-isopropylacrylamide-co-acrylamide) nanocomposite have been prepared and assessed it as adsorbents for enrichment of malachite green from aqueous solution. The nanocomposite is characterized by FTIR, TG-DTA, VSM and swelling studies. The VSM results have shown is superparamagnetic behaviour of nanocomposite with saturation magnetization of 1.5065 emu/g. The adsorption follows Temkin isotherm and results indicate maximum adsorption capacity of 19.977 (98.78%) malachite green. The desorption studies demonstrates excellent recovery ability of nanocomposite. The adsorption study confirms the prospective applications of polysaccharide based magnetic hydrogel for the fruitful and greener disposal of cationic dyes.
在目前的情况下,人为活动已使水体的质量退化到难以忍受的程度。未经处理的工业废水和其他废水的排放使水无法使用。目前的工作是尝试在天然渗出树胶的基础上制造新的刺激反应吸附剂,天然树胶是一种吸收阳离子染料孔雀石绿的天然树胶。制备了磁场响应的毛毡胶-接枝聚(n-异丙基丙烯酰胺-共丙烯酰胺)纳米复合材料,并对其作为吸附孔雀石绿的吸附剂进行了评价。通过FTIR、TG-DTA、VSM和膨胀研究对纳米复合材料进行了表征。VSM结果表明,纳米复合材料具有超顺磁性,饱和磁化强度为1.5065 emu/g。吸附符合Temkin等温线,最大吸附量为19.977(98.78%)孔雀石绿。解吸实验表明,纳米复合材料具有良好的回收能力。吸附研究证实了多糖基磁性水凝胶在阳离子染料高效环保处理中的应用前景。
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Indian Journal of Chemical Technology
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