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Synthesis, Characterization and Application of a Molecularly Imprinted Polymer in Selective Adsorption of Abacavir from Polluted Water 分子印迹聚合物的合成、表征及在污水中选择性吸附阿巴卡韦中的应用
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/v73a13
Sharlott N. Qwane, P. S. Mdluli, L. Madikizela
Abacavir is an antiretroviral drug (ARVD), which has been identified as a water pollutant. To find a selective adsorbent for its extraction from water, a molecularly imprinted polymer (MIP) is proposed for its selective uptake. A 24-hour bulk polymerization process was performed for imprinting abacavir with aliquat 336 and ethylene glycol dimethacrylate, as functional monomer and cross-linking agent, respectively. Uptake of abacavir from 10 mL of aqueous solutions was performed with 40 mg of MIP at pH 5 within 60 min of contact time. MIP selectively adsorbed abacavir from water in the presence of other ARVDs (tenofovir disoproxil and efavirenz). The maximum adsorption capacity obtained for abacavir was 5.98 mg g. The adsorption mechanism was best described by the Freundlich isotherm and pseudo-second-order kinetic model, which were translated to multilayer coverage and chemisorption influenced by electrostatic attractions, respectively. The extraction efficiencies achieved for abacavir in wastewater influent, effluent and estuarine water were 67, 74 and 76 %, respectively. The synthesized MIP can be reused at least 10 consecutive times for adsorption of abacavir from polluted water without losing its extraction efficiency. This is the first study to report the application of aliquat 336 as the functional monomer in the synthesis of MIP for selective extraction of abacavir from
阿巴卡韦是一种抗逆转录病毒药物(ARVD),已被确定为水污染物。为了寻找一种选择性吸附剂,对其进行选择性吸附,提出了一种分子印迹聚合物(MIP)。以阿里奎特336和乙二醇二甲基丙烯酸酯为功能单体和交联剂,进行了24小时本体聚合。在接触时间60分钟内,用40 mg MIP在pH 5条件下从10 mL水溶液中摄取阿巴卡韦。MIP在存在其他抗逆转录病毒药物(替诺福韦二吡唑和依非韦伦)的情况下选择性地从水中吸附阿巴卡韦。对阿巴卡韦的最大吸附量为5.98 mg g。吸附机理由Freundlich等温线和拟二级动力学模型描述,分别转化为静电吸引作用下的多层覆盖和化学吸附。废水、出水和河口水对阿巴卡韦的萃取效率分别为67%、74%和76%。所合成的MIP可连续重复使用至少10次,用于吸附污染水中的阿巴卡韦而不影响其提取效率。本研究首次报道了aliquat 336作为功能单体在MIP合成中用于选择性提取阿巴卡韦的研究
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引用次数: 4
C-H activation: a Critical Evaluation of a Published Method and its Application Towards Inherently Chiral Calix[4]arenes C-H活化:一种已发表方法的关键评价及其在固有手性杯杯芳烃中的应用
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/v73a3
Kevin J Visagie, Luke Hodson, G. Arnott
C–H activation offers an intriguing access into inherently chiral calix[4]arenes, but has been little explored in the literature. In this article, we report our investigation into a published C–H activation method that uses carbamates to direct a palladium catalyzed C–H activation and subsequent reaction with N-bromosuccinimide. However, we show that this report is unfortunately flawed on a number of points. An earlier reported study revealed the more likely SEAr mechanism of the bromination reaction, which did not involve palladium catalysis. We nevertheless employed the SEAr bromination in an attempt to form inherently chiral calix[4]arenes, using a chiral (+)-menthyl carbamate as a directing group. Unfortunately, although the reaction was high yielding, the diastereomers formed were inseparable and we were unable to quantify their ratio. Subsequent removal of the chiral (+)-menthyl carbamate, returned a small positive optical rotation, suggesting that at least a level of asymmetric induction was achieved in the bromination to afford a non-racemic product.
碳氢活化提供了一个有趣的进入固有手性杯[4]芳烃的途径,但在文献中很少被探索。在本文中,我们报告了我们对一种已发表的C-H活化方法的研究,该方法使用氨基甲酸酯来指导钯催化的C-H活化和随后与n -溴琥珀酰亚胺的反应。然而,我们指出,不幸的是,这份报告在许多方面存在缺陷。先前的一项研究揭示了溴化反应更可能的SEAr机制,而不涉及钯的催化作用。然而,我们使用SEAr溴化,试图形成固有手性杯[4]芳烃,使用手性(+)-氨基甲酸乙酯作为导向基团。不幸的是,虽然反应产率很高,但形成的非对映体是不可分离的,我们无法量化它们的比例。随后去除手性(+)氨基甲酸乙酯,返回一个小的正旋光性,这表明至少在溴化中实现了一定程度的不对称诱导,以获得非外消旋产物。
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引用次数: 1
Formation of 3,3,4-Trimethyl-1,7-dibromonorbornane-2-one: a Spectroscopic and Computational Study 3,3,4-三甲基-1,7-二溴单硼烷-2- 1的形成:光谱和计算研究
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/v73a5
I. Sabbagh, P. Kaye
The structure and origin of the major by-product in the synthesis of 8-bromocamphor from (+)-3,3,8-tribromocamphor has been confirmed using NMR, coset and single crystal X-ray analysis and DFT-level computational techniques.
利用核磁共振、coset和单晶x射线分析以及dft级计算技术,确定了(+)-3,3,8-三溴樟脑合成8-溴樟脑的主要副产物的结构和来源。
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引用次数: 0
Surface-modified Water Hyacinth (Eichhornia crassipes) over Activated Carbon for Wastewater Treatment: A Comparative Account 表面改性水葫芦与活性炭处理废水的比较研究
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/v73a11
S. Bapat, D. Jaspal
Finding an economical, efficient and easy handling alternative for commercial grade activated charcoal (AC) in textile wastewater treatment is a dire need. To address this, a noxious weed water hyacinth (WH) has been explored as a ‘biosorbent’ for the decolorization of the hazardous textile dye, Remazol Brilliant Red 3BS (RBR 3BS) in wastewater. A novel surface modification has been carried out using the quaternary ammonium salt, N-Cetyl-N,N,N–trimethyl ammonium bromide, to enhance the dye decolorization capacity of raw WH. The impact of several process parameters, viz. pH, dosage of adsorbent, temperature, concentration and contact time have been examined. Batch adsorption studies, kinetic-thermodynamics, isothermal modelling and error analysis have been studied to ascertain the efficacy of the adsorbent. A comparison of the results has been carried out with activated carbon (AC). Surface-modified WH showed the highest dye uptake of 104.26 mg g, at 27 °C, which was about 10 times more than that of AC. Isothermal, kinetic and thermodynamic studies were conducted for identification of adsorption type taking place for dye–adsorbent systems. Energy of activation was 8.65 kJ mol for treated WH and 8.98 kJ mol for AC. It was proven that surface-modified WH had a high capability to replace AC for adsorption treatments.
寻找一种经济、高效、易于处理的商业级活性炭(AC)在纺织废水处理中的替代品是迫切需要的。为了解决这个问题,一种有毒的水信子(WH)被探索作为一种“生物吸附剂”,用于脱色废水中的有害纺织染料Remazol Brilliant Red 3BS (RBR 3BS)。采用季铵盐N-十六烷基-N,N,N -三甲基溴化铵对原料WH进行了改性,提高了原料WH的脱色能力。考察了几个工艺参数,即pH、吸附剂用量、温度、浓度和接触时间的影响。通过批量吸附研究、动力学热力学、等温建模和误差分析来确定吸附剂的效果。并与活性炭(AC)进行了比较。在27°C下,表面改性的WH对染料的吸收率最高,为104.26 mg g,是AC的10倍左右。通过等温、动力学和热力学研究,确定了染料-吸附体系的吸附类型。处理后的WH的活化能为8.65 kJ mol, AC的活化能为8.98 kJ mol,证明了表面改性WH在吸附处理中具有较高的替代AC的能力。
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引用次数: 9
A Spectroscopic, Thermodynamic and Molecular Docking Study of the Binding Mechanism of Dapoxetine with Calf Thymus DNA 达泊西汀与小牛胸腺DNA结合机制的光谱、热力学和分子对接研究
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/v73a7
Nawaf A. Alsaif, Abdurrahman A. Al-Mehizia, A. Bakheit, Seema Zargar, T. Wani
Dapoxetine is a selective serotonin reuptake inhibitor, used to treat premature ejaculation in men. Dapoxetine may interact with the DNA and hence this study investigated dapoxetine and calf thymus DNA (ctDNA) binding interaction. The interaction study of ligands to DNA is of importance in the development of molecular probes and therapeutic agents. Spectroscopic techniques including spectrofluorometry and spectrophotometry were employed to study this interaction. Fluorescence studies indicated a static quenching mechanism between dapoxetine and ctDNA. Groove binding was suggested as the mode of interaction between dapoxetine and ctDNA based on UV absorption, circular dichroism (CD) spectroscopy, iodide quenching and molecular docking studies. The studies conducted at three different temperatures 298, 303 and 310 K indicated a strong binding interaction at higher temperatures. Thermodynamic studies conducted indicated involvement of hydrophobic interaction between ctDNA and dapoxetine and were entropy-driven. Ethidium bromide probe study suggested that dapoxetine does not bind to ctDNA in an intercalative fashion. Iodide quenching studies further proved the non-intercalative binding of ctDNA with dapoxetine. Ionic strength studies conducted ruled out the electrostatic binding mechanism between ctDNA and dapoxetine. Molecular docking analysis performed for the dapoxetine with calf thymus DNA (ctDNA) interaction and confirmed minor groove binding of dapoxetine to ctDNA. The study helped to reveal the binding interaction mechanism between dapoxetine and ctDNA.
达泊西汀是一种选择性血清素再摄取抑制剂,用于治疗男性早泄。达泊西汀可能与DNA相互作用,因此本研究研究了达泊西汀与小牛胸腺DNA (ctDNA)的结合相互作用。配体与DNA相互作用的研究在分子探针和治疗剂的开发中具有重要意义。光谱技术包括荧光光谱法和分光光度法来研究这种相互作用。荧光研究表明达泊西汀与ctDNA之间存在静态猝灭机制。基于紫外吸收、圆二色性(CD)光谱、碘化物猝灭和分子对接研究,提出沟结合是达泊西汀与ctDNA相互作用的模式。在298、303和310 K三种不同温度下进行的研究表明,在较高温度下存在较强的结合相互作用。热力学研究表明ctDNA和达泊西汀之间的疏水相互作用是熵驱动的。溴化乙啶探针研究表明,达泊西汀不以插入方式与ctDNA结合。碘化物猝灭研究进一步证明了ctDNA与达泊西汀的非插层结合。离子强度研究排除了ctDNA和达泊西汀之间的静电结合机制。分子对接分析了达泊西汀与小牛胸腺DNA (ctDNA)的相互作用,证实了达泊西汀与ctDNA的轻微凹槽结合。该研究有助于揭示达泊西汀与ctDNA的结合相互作用机制。
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引用次数: 36
The Quality Control of Alcoholic Components of Disinfectants by a Simple Colour Test 简单显色法控制消毒剂中酒精成分的质量
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/v73a12
H. Langhals
The identity and quality of liquid components for disinfectants, preferentially isopropyl alcohol and ethanol, can be determined with the naked eye using solvatochromic dyes and comparing their colour with a colour scale. Thus, any confusion with toxic methanol or other solvents can be excluded, as can also the application of raw materials in insufficient concentration or incorrect formulations. The production of a quick and easy to use simple low-cost test kit is described.
消毒剂的液体成分,优先是异丙醇和乙醇,可以用肉眼用溶剂致变色染料和色标比较它们的颜色来确定。因此,可以排除任何与有毒甲醇或其他溶剂的混淆,也可以排除原料浓度不足或配方不正确的应用。介绍了一种快速、易用、简单、低成本的检测试剂盒的制作。
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引用次数: 2
Ultrasound Promoted Stereoselective Synthesis of 2,3-Dihydrobenzofuran Appended Chalcones at Ambient Temperature 超声促进常温下2,3-二氢苯并呋喃加查尔酮的立体选择性合成
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/v73a6
V. A. Adole, B. Jagdale, T. B. Pawar, Abhishek A Sagane
In the present investigation, an ultrasound promoted the synthesis of a series of (E)-3-(2,3-dihydrobenzofuran 5-yl)-1-(aryl)prop2-en-1-one derivatives from 2,3-dihydrobenzofuran-5-carbaldehyde and various aromatic ketones under clean conditions. The application of ultrasound irradiation in organic reactions is one of the incredible tools of green chemistry as reactions can be carried out rapidly under neat conditions. A library of a novel (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-(aryl)prop-2-en-1-one chalcone derivatives were synthesized in good to excellent yield under ultrasonic irradiation. The structures of all synthesized chalcone derivatives synthesized in this study have been established by using FT-IR, H NMR, C NMR, and HRMS techniques. The stereochemistry around C=C in the chalcones was shown to be trans by H NMR (Jab = 15.5Hz). The benefits of the present synthesis include mild reaction conditions, high yield, purification by non-chromatographic strategy and short reaction times, demonstrating the significance of this protocol in terms of waste reduction and energy efficiency.
在本研究中,超声波促进了一系列(E)-3-(2,3-二氢苯并呋喃-5-基)-1-(芳基)丙烯-烯-1- 1衍生物在清洁条件下由2,3-二氢苯并呋喃-5-乙醛和各种芳酮合成。超声辐照在有机反应中的应用是绿色化学中不可思议的工具之一,因为反应可以在整洁的条件下快速进行。在超声照射下合成了一种新的(E)-3-(2,3-二氢苯并呋喃-5-基)-1-(芳基)丙-2-烯-1- 1查尔酮衍生物库。本研究合成的所有查尔酮衍生物的结构已通过FT-IR、H - NMR、C - NMR和HRMS技术确定。H NMR (Jab = 15.5Hz)表明查尔酮中C=C周围的立体化学是反式的。本合成方法具有反应条件温和、产率高、非色谱纯化、反应时间短等优点,证明了该方法在减少废物和提高能源效率方面的意义。
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引用次数: 28
Photocatalytic Degradation of Direct Red 16 Dye using Ag/Ag3VO4/AgVO3/GO Nanocomposite Ag/Ag3VO4/AgVO3/GO纳米复合材料光催化降解直接红16染料
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/v73a01
Behzad Hazizadeh Far, Parvin Gaharbani, R. R. Khojasteh
In this research, synthesized Ag NPs/Ag3VO4/AgVO3/GO was applied as a visible-light sensitive photocatalyst for photocatalytic degradation of Direct Red 16 dye (DR16) from aqueous solutions. The synthesized nanocomposite was analyzed by XRD, FESEM, TEM, EDX and Dot mapping. The effect of DR16 dye concentration, AgNPs/Ag3VO4/AgVO3/GO dosage, time and pH on photocatalytic removal of DR 16 were studied. Results revealed that pH, dosage and DR16 concentration are more important parameters than time on photocatalytic removal of the dye. The results indicate that 58.98 % of DR16 removal was obtained under the following optimized conditions: DR16 concentration = 32 mg L; Ag NPs/Ag3VO4/AgVO3/GO dosage = 0.2 g 50 mL ; pH = 4.5; 300 W visible light for 155 min. So, it was concluded that the new nanocomposite can be used as an efficient visible-light photocatalyst for degradation of Direct Red 16 dye.
本研究将合成的Ag NPs/Ag3VO4/AgVO3/GO作为可见光敏感光催化剂,用于光催化降解水溶液中的直接红16染料(DR16)。采用XRD、FESEM、TEM、EDX和Dot图对合成的纳米复合材料进行了分析。研究了DR16染料浓度、AgNPs/Ag3VO4/AgVO3/GO投加量、时间和pH对光催化脱除DR16的影响。结果表明,pH、投加量和DR16浓度对光催化脱除染料的影响比时间更重要。结果表明:在DR16浓度为32 mg L的条件下,DR16的去除率为58.98%;Ag NPs/Ag3VO4/AgVO3/GO用量= 0.2 g 50 mL;pH = 4.5;结果表明,该纳米复合材料可作为一种高效的可见光催化剂,用于降解直红16染料。
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引用次数: 4
Efficient Removal of Sulfamethoxazole onto Sugarcane Bagasse-derived Biochar: Two and Three-parameter Isotherms, Kinetics and Thermodynamics 蔗渣生物炭对磺胺甲恶唑的高效去除:二参数和三参数等温线、动力学和热力学
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/V73A16
Victor O. Shikuku, Selly Jemutai-Kimosop
In this work, bagasse, an agricultural waste was used for the development of environmentally benign biochar (CBG) and the thermal pyrolysis product applied for adsorption of sulfamethoxazole (SMX) from water using a batch technique. The pseudo-first-order model best described the adsorption kinetics. Equilibrium adsorption data were modelled using six twoparameter and five three-parameter isotherm equations and the best-fitting models obtained using five error functions. The Sips isotherm best predicted the equilibrium data with an estimated adsorption capacity of 128.8 mg g. Error analysis showed that three-parameter isotherms best explained the experimental data. The thermodynamic functions, viz. enthalpy (ÄH = –24.72 kJ mol), Gibbs free energy (ÄG = –15.67 kJ mol), entropy (ÄS = 32.65 kJ mol), showed that the reaction is spontaneous and exothermic. The mechanism of adsorption involved charge-assisted hydrogen bonding (-)CAHB. The amount of CBG required for the removal of 99 % of SMX in a given volume of effluent was predicted. The results attest that CBG is an effective low-cost adsorbent for SMX adsorption.
本研究以农业废弃物甘蔗渣为原料,采用间歇式工艺制备环境友好型生物炭(CBG),热裂解产物用于吸附水中磺胺甲恶唑(SMX)。拟一阶模型最能描述吸附动力学。利用6个2参数等温线方程和5个3参数等温线方程对平衡吸附数据进行了建模,并利用5个误差函数得到了最佳拟合模型。Sips等温线最能预测吸附量为128.8 mg g的平衡数据。误差分析表明,三参数等温线最能解释实验数据。热力学函数焓(ÄH = -24.72 kJ mol)、吉布斯自由能(ÄG = -15.67 kJ mol)、熵(ÄS = 32.65 kJ mol)表明反应为自发放热反应。吸附机理为电荷辅助氢键(-)CAHB。预测了在给定出水体积中去除99% SMX所需的CBG量。结果表明,CBG是一种有效的低成本吸附SMX的吸附剂。
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引用次数: 14
Templated Cross-linked Nanoporous Starch 模板化交联纳米多孔淀粉
IF 1.5 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-01-01 DOI: 10.17159/0379-4350/2020/V73A19
Somayeh Oftadehgan, A. P. Marjani, J. Khalafy, A. Zamani
Nanoporous starch materials were successfully prepared by a sustainable synthetic process. In this method, some available economic cationic, anionic and nonionic templates like CTAB, SDS and Tween 80 in the presence of borax, as a green and low-cost cross-linker, were used to synthesize the desired cross-linked nanoporous starch in the aqueous phase at relatively low temperature. The obtained materials were characterized by SEM, FT-IR, TGA, DSC and N2 adsorption/desorption methods. While SEM analysis confirmed the porous nature of the materials, BET measurement showed that the materials can have a specific surface area of 65 m g. Cross-linked nanoporous starch was found to be an efficient, inexpensive, easy to prepare, green adsorbent in the removal of methylene blue and methyl orange from wastewater. The synthesized material was found to be highly efficient in controlled adsorption and desorption of ciprofloxacin, which can be applied in drug delivery.
通过可持续合成工艺成功制备了纳米多孔淀粉材料。该方法在硼砂的存在下,利用现有的经济的阳离子、阴离子和非离子模板,如CTAB、SDS和Tween 80,作为绿色和低成本的交联剂,在水相中相对低温下合成所需的交联纳米孔淀粉。采用SEM、FT-IR、TGA、DSC和N2吸附/脱附等方法对所得材料进行了表征。SEM分析证实了材料的多孔性,BET测量表明材料的比表面积可达65 μ g。交联纳米多孔淀粉是一种高效、廉价、易于制备的绿色吸附剂,可用于去除废水中的亚甲基蓝和甲基橙。合成的材料对环丙沙星具有高效的控制吸附和解吸作用,可用于给药。
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引用次数: 0
期刊
South African Journal of Chemistry-Suid-Afrikaanse Tydskrif Vir Chemie
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