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LIQUID CRYSTALS · 2014 · IF 2.349

Novel triphenylene derivatives with acylthiosemicarbazide group: studies the influence of multiple H-bonding on mesomorphic properties

Fafu Yang,Jin Yuan,Congcong Li,Hongyu Guo,Xiaoyun Yan

Series of triphenylene derivatives with multiple NH groups 3a, 3b, 4a, 4b, 5a and 5b were designed and synthesised by simple procedures in high yields. Their structures were confirmed by Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), mass spectrometry (MS) and elemental analysis. Their mesophase behaviours were studied by differential scanning calorimetry, polarising optical microscopy and X-ray diffraction. The triphenylene derivatives 3a and 3b with two NH groups and triphenylene derivatives 4a and 4b with three NH groups possess excellent mesomorphic properties. Compounds 4a and 4b exhibited wider mesophase than compounds 3a and 3b. Triphenylene derivatives 5a and 5b with five NH groups have no mesomorphic properties. These results suggested the units of hydrogen bonds played the crucial roles on mesomorphic properties and acylthiosemicarbazide group with three NH groups was a good functional group for producing excellent mesomorphic properties.

研究领域: 材料化学 · 物理化学
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DESALINATION · 2025 · IF 9.8

Unlocking efficient gold capture from electronic waste leachate with light weight hollow magnetic microspheres

Liting Luo,Hao Li,Jiazheng Zhou,Wenjie Li,Abdul Haleem,Jianming Pan

Developing magnetic adsorbents with superior adsorption capability has always been a massive challenge. Herein, an in-situ growth strategy was implemented to build polydopamine-encapsulated lightweight hollow magnetic microspheres and used to achieve selective recovery of gold from e-waste. The fabricated magnetic-dielectric microspheres, including hollow magnetic polydopamine microspheres (HMPM) and hollow magnetic polydopamine microspheres modified by allyl thiourea (HMPM&A), exhibited excellent gold adsorption capacities of 1205 mg g −1 and 1766 mg g −1 , respectively at 298 K. The adsorption capacity was amazingly upsurged up to 1850 mg g −1 and 2715 mg g −1 under ultraviolet light, respectively, which is relatively enhanced compared to other reported magnetic adsorbents. The XPS survey and DFT calculations confirmed that Au(III) ions adsorption principally attributed to electrostatic interaction of N sites under acidic mediums and chelating interaction between Au(III) and S,N chelating site of thiourea groups, followed by subsequent reduction of Au(III) into to Au(0) with thiourea and dopamine units. The developed magnetic adsorbent showed impressive chemical stability for Au(III) adsorption up to eight consecutive adsorption-desorption cycles without any noticeable change in adsorption performance. The recovery rate of HMPM&A for Au(III) ions from actual samples was better up to 86.7 %. This work will broaden the construction strategy of magnetic adsorbents and promote the application of magnetic materials as an efficient functional material.

研究领域: 环境科学 · 材料科学
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DYES AND PIGMENTS · 2016 · IF 4.055

A novel facilely prepared rhodamine-based Hg2+ fluorescent probe with three thiourea receptors

Miaomiao Hong,Shengzhou Lu,Feng Lv,Dongmei Xu

A novel rhodamine-based turn-on fluorescent probe with three thiourea receptors was designed, synthesized and fully characterized. In acetonitrile/4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid buffer (9/1, v/v, pH = 7.21), the probe showed high selectivity and sensitivity to Hg 2+ with a 20-fold fluorescence enhancement at 583 nm. The increase in fluorescence intensity was linearly proportional to the concentration of Hg 2+ in the range of 25–200 μM with a detection limit of 3.04 × 10 −7  M. The probe could work in a nearly neutral pH span of 6.41–8.33 and exhibited excellent interference immunity. Real sample assay showed the probe had good practicability. The results from Job's plot, reversibility experiment, mass and infrared spectra analysis suggested a 1:3 probe/Hg 2+ complex with an association constant of 9.88 × 10 11  M −3 and a new interaction way between the probe and Hg 2+ .

CAS / MDL: 103-72-0
研究领域: 分析化学 · 环境科学
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JOURNAL OF MOLECULAR STRUCTURE · 2023 · IF 3.8

Study on crystal structure, spectroscopic, thermodynamic properties and Hirshfeld surfaces of a new spirocompound containing thiourea group C17H18N2O4S

Wulan Zeng,Xia Wang,Xiangjun Kong,Youwang Li,Yunju Zhang

A new spirocompound containing thiourea group 1-((2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl)-3-phenylthiourea (DMP) was designed and obtained. The compound (DMP) was confirmed using the single X-ray diffraction, 1 H NMR and 13 C NMR, IR, Raman, MS and UV–Vis. The DFT calculations of molecular structure, infrared and Raman spectroscopy and electronic transition were performed using the two different levels of B3LYP/cc-pVDZ/ and B3LYP/6–311G(d, p). The theoretical results match with the experimental ones. The gap energy of HOMO and LUMO of DMP was 3.88 eV. The DMP is thermally stable up to 200 °C according to the data obtained from TG analysis. Finally, the Mulliken population analysis, Hirshfeld surfaces analysis, MEP, NLO and NBO of DMP were discussed.

CAS / MDL: 103-85-5 149-73-5
研究领域: 化学 · 材料科学 · 物理化学
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DALTON TRANSACTIONS · 2025 · IF 3.3

Isothiourea-based burial interface modification for high-efficiency and stable perovskite solar cells

Zipeng Tang,Chunlong Wang,Chunying Ma,Wenzhen Zou,Chao Wei,Xuanshuo Shanguan,Lu Zhou,Xiaoyu Li,Yongchun Ye,Liguo Gao,Yusran Sulaiman,Tingli Ma,Chu Zhang

Senior oxygen-related defects including O vacancies and dangling O-H bonds in the SnO2 ETL result in non-radiative carrier recombination, which directly affect the efficiency performance and stability of perovskite solar cells. Meanwhile, undercoordinated Pb2+ can also induce non-radiative recombination of photogenerated carriers and provide a pathway for ion migration, leading to further degradation of solar cell performance. To tackle such issues, interface modification with multi-functional small molecules is usually considered a convenient way to inhibit non-radiative recombination and improving carrier transportation. Here, we employ two isothiourea group-based bridge molecule CESC (S-carboxyethyl isothiourea hydrochloride) together with DASC (S-[2-(Dimethylamino) ethyl] isothiourea Dihydrochloride) to passivate the burial interface between SnO2 and perovskite, realizing the dual functional passivation towards both filling O2- vacancy in SnO2 lattice and binding the uncoordinated ions. Perovskite solar cells fabricated with this method shows well-improved optoelectronic performance as well as resistance against ambient moisture. Compared with the control device (17.20%), the efficiency of the devices modified by DASC and CESC increased to 18.75% and 19.04%, respectively. The unpackaged solar cells treated with CESC and DASC maintained 91.2% and 89.5% of their initial efficiency, respectively, after aging for 1000 hours in a high humidity environment.

CAS / MDL: 16111-27-6
研究领域: 材料科学 · 能源技术
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SEPARATION SCIENCE AND TECHNOLOGY · 2016 · IF 1.083

Preparation of a novel chelating resin bearing amidinothiourea moieties and its removal properties for Hg(II) ions in aqueous solution

Maosheng Deng,Ying Huang,Xin Zhang,Zhijun Feng,Jinfeng Gou,Binjie Sun

A novel chelating resin bearing amidinothiourea (ADTU) moieties was prepared by chloroethyl crosslinked polystyrene (CMPS) with ADTU in the presence of a phase transfer catalyst. Fourier transform infrared spectra (FT-IR) and scanning electron microscopy (SEM) were used to characterized the resulting chelating resin. The saturated adsorption capacity of Hg(II) ions estimated from the Langmuir model was up to 1215 mg g−1at 313 K. Furthermore, the resin was able to selectively separate Hg(II) from multicomponent solutions with Cd(II), Co(II), Cu(II), Zn(II), Mg(II) and Pb(II). The desorption process showed the mercury recovery reached to 99.2% under eluting condition of 1 M HCl + 8% thiourea.

研究领域: 环境科学 · 材料科学
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RSC Advances · 2016 ·Vol. 6 ·期 107 ·105744-105754 · IF 3.289

Synthesis, curing kinetics, mechanical and thermal properties of novel cardanol-based curing agents with thiourea

Zhe Ma,Bing Liao,Kun Wang,Yongqiang Dai,Jianheng Huang,Hao Pang

Two new flexible cardanol-based epoxy curing agents with cross-linkable thiourea groups ([2-(2-amino-ethylamino)-ethyl]-thiourea of modified cardanol and [2-(2-amino-ethylamino)-ethyl]-thiourea of modified cardanol 2,3-dihydroxy propyl ether, ETC and TCP for short, respectively) were synthesized using a Mannich reaction. The structure of the prepared curing agents was analyzed by a nuclear magnetic resonance (NMR) and Fourier transform infrared spectroscopy (FT-IR). The curing kinetics of ETC (or TCP) cured diglycidyl ether of biphenyl A (DGEBA) epoxy resins was investigated using the Kissinger, Flynn–Wall–Ozawa and Crane methods by non-isothermal differential scanning calorimetry (DSC). Thermal properties of the cured epoxy resins were evaluated with thermogravimetric analysis (TGA) and DSC. The morphology and mechanical properties of the cured epoxy resins were also studied. The results showed that the epoxy curing agents had a high-reactivity and a low-viscosity, especially at low temperatures. The activation energy of ETC/DGEBA and TCP/DGEBA calculated by the Kissinger method were 53.6 and 60.5 kJ mol−1, respectively. The toughness of the cured epoxy resin was noticeably improved by the introduction of two new flexible curing agents. The glass transition temperature (Tg) decreased with the introduction of cardanol-based curing agents in an epoxy resin system. In addition, the cured epoxy materials exhibited good mechanical properties.

研究领域: 材料科学 · 化学工程
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RSC Advances · 2017 ·Vol. 7 ·期 15 ·8866-8878 · IF 3.108

Synthesis and biological evaluation of terminal functionalized thiourea-containing dipeptides as antitumor agents

Ri-Zhen Huang,Bin Zhang,Xiao-Chao Huang,Gui-Bin Liang,Jian-Mei Qin,Ying-Ming Pan,Zhi-Xin Liao,Heng-Shan Wang

A series of antitumor agents based on terminal functionalized dipeptide derivatives containing the thiourea moiety were synthesized and evaluated for antiproliferative activity using a panel of cancer cell lines, and the effects and mechanism of apoptosis induction were determined. These compounds exhibited significant selectivity to different cancer cell lines with IC50 values at micromolar concentrations. In particular, compound I-11 appeared to be the most potent compound, with an IC50 = 4.85 ± 1.44 μM against the NCI-H460 cell line, at least partly, by the induction of apoptosis. Mechanistically, compound I-11 induced the activation of caspase-12 and CHOP, which triggered apoptotic signalling via the ROS-dependent endoplasmic reticulum pathway and arrested the cell cycle at the S phase. Thus, we concluded that dipeptide derivatives containing the thiourea moiety terminally functionalized by electron-withdrawing substituents may be potential antitumor agents for further investigation.

研究领域: 药理学 · 肿瘤学 · 细胞生物学
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APPLIED SURFACE SCIENCE · 2024 · IF 6.3

Free sulfur-containing terminal groups as exclusive trapper of Au

Zhichao He,Tao You,Fan Wu,Yingchun Li,Li Liu,Fei Wang,Yudong Huang

Thanks to the high affinity, adsorbents with sulfur-containing groups are usually used to recover Au ions, but neglect of the availability and utilization of introduced groups often makes the effort wasted, limiting the practical application of adsorbents severely. Here, we designed and fabricated two ANF-based aerogels with free and anchored thiourea groups respectively, and the adsorption performance and key influence factors were investigated by combining experiments and MD simulations. The experimental results showed that two aerogels exhibited distinct performance of adsorbing Au ions. And MD simulations results disclosed the structure difference of thiourea groups on the surface of two aerogels. The one with better performance had freer sulfur-containing groups, and these groups were easy to change their conformation, resulting in easier interaction with Au ions. However, groups on the surface of the other one were anchored. This difference in structure and resultant performance indicated that the freedom of functional groups play a critical role in the process of adsorption. As a result, the calculated maximum adsorption capacity of aerogels with free thiourea groups is as high as 719.42 mg/g, and although the reusability of adsorbents decreases with the increase of recycle times, caused by the generation of Au (0) during adsorption process, its adsorption capacity is till as high as 461.9 mg/g. Alternatively, incineration is also a feasible approach, especially after several recycle times, because of the low cost of fabricated adsorbents. Therefore, aerogels prepared by structural design have advantages in the field of gold recovery, and the superior performance also demonstrates the significance of utilization of introduced functional groups in the designed adsorbents.

研究领域: 材料科学 · 环境科学
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ACS Applied Polymer Materials · 2025 · IF 4.7

Domino Polymerization toward Microporous Polythioureas for Selective Gold Recovery from Electronic Waste

Wenhui Yan,Shijun Li,Jieyao Wang,Xingyu Ma,Mingxuan Zhang,Lei Li

The recovery of gold from electronic waste by absorption is a sustainable process owing to its easy operation, low cost, and negligible energy consumption. Thiourea groups demonstrate a strong affinity toward Au(III); therefore, microporous polythioureas (PTUs) are believed to be emerging absorbents and advantageous over other porous materials. Motivated by the successful preparation of porous organic polymers (POPs) via domino polymerization in our recent report, the one-pot strategy is introduced to the synthesis of microporous PTUs. During the polymerization process, thiourea knots are formed between the reaction of amino and diisothiocyanate monomers and integrated into networks by the simultaneous self-cross-linkage of alkynyl, acetyl, or double-bond groups on the amine monomers. Eventually, the family of POPs exhibits a maximum surface area of 561 m2 g–1. The thiourea groups and microporous structures endow the products with high Au(III) adsorption capacities (maximum: 1159 mg g–1) and remarkable adsorption selectivity. Even in actual electronic waste, where the concentration of Au(III) (0.18 mg L–1) is much lower than that of other interference ions (approximately 200 mg L–1), 100% removal efficiency is accomplished. This achievement not only verifies the versatility of the domino polymerization methodology for the construction of POPs but also sheds light on the potential application of high-performance gold adsorbents in real scenarios.

研究领域: 环境化学 · 材料科学 · 资源循环利用 · 吸附分离 · 高分子化学
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WATER AIR AND SOIL POLLUTION · 2024 ·Vol. 235 ·期 1 ·1-13 · IF 3.8

Nitrogen-Riched Functional Cellulose Enhanced the Removal of Pb(II) from Water

Wang Degui,Xiao Qiuying,Xiao Yepeng,Cheng Lihua,Chen Hong,Chen Bing,Wang Suhua

Since lead is a non-biodegradable and neurotoxic heavy metal, efficient removal of Pb(II) from water is of great significance. Herein, a new type of functional cellulose with enriched thiourea groups (Thiourea-PC) was synthesized using the leaves of plumeria frangipani, a common agricultural solid waste, as the starting materials and applied for the efficient removal of lead ions from water. The properties of the cellulose-based adsorbent have been carefully analyzed and evaluated using FT-IR, SEM, XPS, and elemental analysis techniques. The results showed that the maximum adsorption capacity of Thiourea-PC was 173.92 mg/g under the optimal conditions. The adsorption mechanism was attributed to the complex reaction between Pb(II) and mercaptan/nitrogen-containing groups, and the adsorption process conformed to Langmuir isothermal adsorption model and Pseudo-second-order kinetic model. It is worth noting that after five cycles of adsorption–desorption, the removal rate of Pb(II) by Thiourea-pc was still high, reaching more than 97%, and it had been successfully applied to the simulated adsorption of actual water samples with excellent selectivity. Adsorbent precursors come from a wide range of sources, are economical and effective, and the resource utilization of biomass waste can be realized through sustainable synthesis.

研究领域: 环境科学 · 材料科学 · 化学工程 · 水处理技术 · 吸附 · 重金属去除 · 生物质利用
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