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Synthesis, molecular docking and antibacterial evaluation of 2-(4-(4-aminophenylsulfonyl)phenylamino)-3-(thiophen-2-ylthio)naphthalene-1,4-dione derivatives

Palanisamy RAVICHANDIRAN, Dhanaraj PREMNATH, Samuel VASANTHKUMAR

《化学科学与工程前沿（英文）》 2015年 第9卷 第1期   页码 46-56 doi: 10.1007/s11705-015-1506-6

摘要： A new series of 2-(4-(4-aminophenylsulfonyl)phenylamino)-3-(thiophen-2-ylthio)naphthalene-1,4-dione derivatives ( 3a-3n) were synthesized and characterized by spectral techniques. To understand the interaction of binding sites with bacterial protein receptor, the docking study was performed by the GLIDE program and compound -(4-(4-(1,4-dioxo-3-(thiophen-2-ylthio)-1,4-dihydronaphthalen-2-ylamino)phenylsulfonyl)phenyl)-3-methylbenzamide ( 3b) exhibited good glide and E model scores of ?5.89 and ?94.90, respectively. Moreover among all the molecules studied including the standards used, namely Sparfloxacin (4.8 μg/mL) and Norfloxacin (no inhibition observed) for their antibacterial property, compound -(4-(4-(1,4-dioxo-3-(thiophen-2-ylthio)-1,4-dihydronaphthalen-2-ylamino)phenylsulfonyl)phenyl)-4-nitrobenzamide ( 3e) exhibited the lowest minimum inhibitory concentration (MIC) value of 1.3 μg/mL against .

关键词： MIC     2-thiophene thiol     water as solvent     acid chlorides     sulfone    

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Mechanism insight into the formation of HS from thiophene pyrolysis: A theoretical study

《环境科学与工程前沿（英文）》 2021年 第15卷 第6期 doi: 10.1007/s11783-021-1404-8

摘要：

• Possible formation pathways of H2S were revealed in thiophene pyrolysis.

关键词： Density functional theory     Waste rubber     Thiophene     H2S     Pyrolysis    

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Facile generation of highly durable thiol-functionalized polyhedral oligomeric silsesquioxane based superhydrophobic

《化学科学与工程前沿（英文）》 2022年 第16卷 第8期   页码 1247-1258 doi: 10.1007/s11705-021-2124-0

摘要： In this study, a durable superhydrophobic/superoleophilic melamine foam was fabricated by a facile and rapid one-step thiol-ene click chemistry and Michael addition reaction, which demonstrated excellent robustness in oil/water separation. First, 1H, 1H, 2H-perfluoro-1-hexene reacted with thiol-functionalized polyhedral oligomeric silsesquioxane via the thiol-ene click chemistry to obtain a fluorinated thiol-functionalized polyhedral oligomeric silsesquioxane solution. Subsequently, the melamine foam was immersed to the solution system to form nanoaggregates on the melamine foam surface by the Michael addition reaction in the presence of ultraviolet light. The micro/nano rough structure and low surface energy of the nanoaggregates layer endowed the pristine melamine foam with superhydrophobicity; the water contact angle was greater than 150°. More importantly, the as-prepared melamine foam could withstand harsh conditions, such as a corrosive solution environment, strong ultraviolet light, mechanical compression, high and low temperature exposure, and ultrasonic washing. Driven by gravity, the as-prepared melamine foam could efficiently separate the oil/water mixtures and maintain 98% separation efficiency at high and low temperatures. In addition, it maintained the desirable absorption capability in different oil/organic solvents even after 15 absorption cycles. Accordingly, this facile, low-cost, and robust one-step method provides important support for the superhydrophobic oil/water separation field.

关键词： superhydrophobic melamine foam     thiol-functionalized polyhedral oligomeric silsesquioxane     durable     oil/water separation    

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Study on extraction of thiophene from model gasoline with br?nsted acidic ionic liquids

Xiaomeng WANG, Mingjuan HAN, Hui WAN, Cao YANG, Guofeng GUAN

《化学科学与工程前沿（英文）》 2011年 第5卷 第1期   页码 107-112 doi: 10.1007/s11705-010-0539-0

摘要： Br?nsted acidic ionic liquids (ILs), -methylimidazole hydrogen sulfate ([HMIm]HSO ) and -methylpyrrolidone hydrogen sulfate ([HNMP]HSO ), are synthesized and employed as extractants to extract thiophene from model gasoline (thiophene dissolved in -octane). The effect of extraction temperature, extraction time and volume ratio of ILs to model gasoline on desulfurization rates is investigated. Then, the optimal desulfurization conditions are obtained: the ratio of ILs to model gasoline is 1∶1, extraction temperature is 50°C for [HMIm]HSO and 60°C for [HNMP]HSO , extraction time is 60 min. Meanwhile, the desulfurization rate of [HNMP]HSO for model gasoline is 62.8%, which is higher than that of [HMIm]HSO (55.5%) under optimal conditions. The reason is discussed on the basis of the interaction energy between thiophene and ILs at the B3LYP/6-311++ G(d,p) level. Furthermore, the total desulfurization rate of [HNMP]HSO and [HMIm]HSO reaches 96.4% and 94.4%, respectively, by multistage extraction. Finally, the used ILs can be reused by vacuum drying, and their desulfurization rates are not significantly decreased after recycling 7 times in single-stage desulfurization.

关键词： br?nsted ionic liquids     model gasoline     thiophene     extraction     density functional theory    

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Improved “cure on demand” of aromatic bismaleimide with thiol triggered by retro-Diels-Alder reaction

Vincent Froidevaux, Mélanie Decostanzi, Abdelatif Manseri, Sylvain Caillol, Bernard Boutevin, Rémi Auvergne

《化学科学与工程前沿（英文）》 2021年 第15卷 第2期   页码 330-339 doi: 10.1007/s11705-020-1929-6

摘要： This study focuses on the synthesis of new liquid aromatic bismaleimide monomers in order to improve self-curing on demand (SCOD) systems previously based on aliphatic bismaleimides. These SCOD systems are based on Diels-Alder (DA)/retro-DA reactions. The syntheses of new different aromatic bismaleimides with ester and amide bonds are presented. These maleimides have been protected using DA reaction and characterized by H NMR analysis to determine protection rate and diastereomer ratios. The retro-DA reactions of both aromatic and aliphatic DA adducts in presence of thiol molecules were studied. Kinetic analysis was monitored by H NMR and compared to model study. Finally, both aromatic and aliphatic bismaleimides-based polymers were synthesized with 2-mercaptoethyl ether and thermal properties of polymers were compared. The glass transition temperature values ranged from –20 °C to 14 °C and very good thermal stabilities were observed (up to 300 °C).

关键词： thiol-ene polymerization     self-curing on demand     thia-michael addition     Diels-Alder     maleimide    

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Experimental and theoretical study of microwave enhanced catalytic hydrodesulfurization of thiophene

Hui Shang, Pengfei Ye, Yude Yue, Tianye Wang, Wenhui Zhang, Sainab Omar, Jiawei Wang

《化学科学与工程前沿（英文）》 2019年 第13卷 第4期   页码 744-758 doi: 10.1007/s11705-019-1839-7

摘要： Hydrodesulfurization (HDS) of thiophene, as a gasoline model oil, over an industrial Ni-Mo/Al O catalyst was investigated in a continuous system under microwave irradiation. The HDS efficiency was much higher (5%‒14%) under microwave irradiation than conventional heating. It was proved that the reaction was enhanced by both microwave thermal and non-thermal effects. Microwave selective heating caused hot spots inside the catalyst, thus improved the reaction rate. From the analysis of the non-thermal effect, the molecular collisions were significantly increased under microwave irradiation. However, instead of being reduced, the apparent activation energy increased. This may be due to the microwave treatment hindering the adsorption though upright S-bind (η ) and enhancing the parallel adsorption (η ), both adsorptions were considered to favor to the direct desulfurization route and the hydrogenation route respectively. Therefore, the HDS process was considered to proceed along the hydrogenation route under microwave irradiation.

关键词： thiophene     microwave irradiation     hydrodesulfurization     non-thermal microwave effect    

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Reactive adsorption desulfurization over a Ni/ZnO adsorbent prepared by homogeneous precipitation

Aihua KONG, Yanyu WEI, Yonghong LI

《化学科学与工程前沿（英文）》 2013年 第7卷 第2期   页码 170-176 doi: 10.1007/s11705-013-1322-9

摘要： A high-performance Ni/ZnO adsorbent was prepared by homogeneous precipitation using urea hydrolysis and characterized by N adsorption-desorption, X-ray diffraction (XRD), and scanning electron microscope (SEM). The adsorbent was applied to the deep desulfurization of gasoline and showed a high breakthrough sulfur capacity and a remarkably high volume hourly space velocity. The effects of coexisting olefins in gasoline as well as adsorptive conditions on the adsorptive performance were examined. It was found that olefins in gasoline had a slightly inhibiting effect on the desulfurization performance of the adsorbent. The optimum conditions were 673 K, 1.0 Mpa with a volume hourly space velocity of 60 h . Under the optimum conditions, ultralow sulfur gasoline could be produced and the breakthrough sulfur capacity of the adsorbent was 360 mg-s/g-sorb for the model gasoline.

关键词： nickel     reactive adsorption     desulfurization     thiophene    

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Cube-octameric silsesquioxane (POSS)-capped magnetic iron oxide nanoparticles for the efficient removal of methylene blue

Ali Akbari, Nasser Arsalani, Bagher Eftekhari-Sis, Mojtaba Amini, Gholamreza Gohari, Esmaiel Jabbari

《化学科学与工程前沿（英文）》 2019年 第13卷 第3期   页码 563-573 doi: 10.1007/s11705-018-1784-x

摘要： Octavinyl polyhedral oligomeric silsesquioxane (POSS) was polymerized on the surface of Fe O nanoparticles (NPs) and then the NPs were functionalized with carboxylic acid groups using thiol-ene click reactions with thioglycolic acid. The as-prepared Fe O @POSS-COOH magnetic hybrid NPs had mesoporous structures with an average particle diameter of 15 nm and a relatively high specific surface area of 447 m ∙g . Experimental results showed that 4 mg of Fe O @POSS-COOH NPs efficiently adsorbed and removed methylene blue from water at 5 min. This is due to the presence of both carboxylic acid and pendant vinyl groups on the Fe O @POSS-COOH NPs. These NPs could be easily withdrawn from water within a few seconds under moderate magnetic field and showed high stability in acid and alkaline aqueous mediums.

关键词： nanomagnetic POSS     surface polymerization     thiol-ene reaction     adsorbent     water treatment    

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第三届环境、工业和能源工程国际会议(EI2E 2019)

会议日期： 2019年09月19日

会议地点： 宁夏银川

主办单位： APISE

第四届设计、机械和材料工程国际会议(D2ME 2019)

会议日期： 2019年09月26日

会议地点： 釜山，韩国

主办单位： HKSME

第四届设计、机械和材料工程国际会议(D2ME 2019)

会议日期： 2019年09月26日

会议地点： 釜山，韩国

主办单位： HKSME

标题 作者 时间 类型 操作

Synthesis, molecular docking and antibacterial evaluation of 2-(4-(4-aminophenylsulfonyl)phenylamino)-3-(thiophen-2-ylthio)naphthalene-1,4-dione derivatives

Palanisamy RAVICHANDIRAN, Dhanaraj PREMNATH, Samuel VASANTHKUMAR

期刊论文

Mechanism insight into the formation of HS from thiophene pyrolysis: A theoretical study

期刊论文

Facile generation of highly durable thiol-functionalized polyhedral oligomeric silsesquioxane based superhydrophobic

期刊论文

Study on extraction of thiophene from model gasoline with br?nsted acidic ionic liquids

Xiaomeng WANG, Mingjuan HAN, Hui WAN, Cao YANG, Guofeng GUAN

期刊论文

Improved “cure on demand” of aromatic bismaleimide with thiol triggered by retro-Diels-Alder reaction

Vincent Froidevaux, Mélanie Decostanzi, Abdelatif Manseri, Sylvain Caillol, Bernard Boutevin, Rémi Auvergne

期刊论文

Experimental and theoretical study of microwave enhanced catalytic hydrodesulfurization of thiophene

Hui Shang, Pengfei Ye, Yude Yue, Tianye Wang, Wenhui Zhang, Sainab Omar, Jiawei Wang

期刊论文

Reactive adsorption desulfurization over a Ni/ZnO adsorbent prepared by homogeneous precipitation

Aihua KONG, Yanyu WEI, Yonghong LI

期刊论文

Cube-octameric silsesquioxane (POSS)-capped magnetic iron oxide nanoparticles for the efficient removal of methylene blue

Ali Akbari, Nasser Arsalani, Bagher Eftekhari-Sis, Mojtaba Amini, Gholamreza Gohari, Esmaiel Jabbari

期刊论文

第三届环境、工业和能源工程国际会议(EI2E 2019)

2019年09月19日

会议信息

第四届设计、机械和材料工程国际会议(D2ME 2019)

2019年09月26日

会议信息

肖永红：临床高耐药与高毒性病原体共进化（2023年2月22日）

2023年03月10日

会议视频

第四届设计、机械和材料工程国际会议(D2ME 2019)

2019年09月26日

会议信息

赵家军：2型糖尿病患者的身体活动、久坐行为与心血管疾病风险的关系：MlDiab研究（2023年2月21日）

2023年03月02日

会议视频

沈世钊：大跨结构（2018年6月2日）

2021年04月22日

会议视频

Jian Li：iScience and Interdisciplinary Research（2020年4月2日）

2022年04月18日

会议视频