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INTERNATIONAL JOURNAL OF ONCOLOGY · 2016 ·Vol. 49 ·期 2 ·691-699 · IF 3.018

Anticancer activity and computational modeling of ternary copper (II) complexes with 3-indolecarboxylic acid and 1,10-phenanthroline

Zhen Zhang,Huiyun Wang,Qibao Wang,Maocai Yan,Huannan Wang,Caifeng Bi,Shanshan Sun,Yuhua Fan

Metal-containing compounds have been extensively studied for many years as potent proteasome inhibitors. The 20S proteasome, the main component of the ubiquitin proteasome pathway, is one of the excellent targets in anticancer drug development. We recently reported that several copper complexes were able to inhibit cancer-special proteasome and induce cell death in human cancer cells. However, the involved molecular mechanism is not known yet. We therefore synthesized three copper complexes and investigated their abilities on inhibiting proteasome activity and inducting apoptosis in human breast cancer cells. Furthermore, we employed molecular dockings to analyze the possible interaction between the synthetic copper complexes and the β5 subunit of proteasome which only reflects the chymotrypsin-like activity. Our results demonstrate that three Cu(II) complexes possess potent proteasome inhibition capability in a dose-dependent and time-dependent manner in MDA-MB-231 human breast cancer cells. They could bind to the β5 subunit of the 20S proteasome, which consequently cause deactivation of the proteasome and tumor cell death. The present study is significant for providing important theoretical basis for design and synthesis of anticancer drugs with low toxicity, high efficiency and high selectivity.

CAS / MDL: 598-54-9 67-68-5 66-71-7
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RSC Advances · 2016 ·Vol. 6 ·期 19 ·15577-15584 · IF 3.289

Charges on nano-islands and fibrils of poly(3-hexylthiophene-2,5-diyl) – light-modulation, injection and transportation

Haixia Xuan,Xi Chen,Yinghui Wu,Kena Song,Yuenan Li,Ruchuan Liu

The impact of the nanostructures of conjugated polymers on their electronic properties is significant. We notice that poly(3-hexylthiophene-2,5-diyl) (P3HT) can form nano-islands and nano-fibrils, and both of them show an similar single-layer thickness (∼1.5–1.6 nm) as evaluated by atomic force microscopy (AFM). The Raman spectra indicate the highest degree of chain planarity and crystallinity in the nano-islands. By using scanning Kelvin probe microscopy (SKPM) and electrostatic force microscopy (EFM), we image the surface potential at the nanometer scale and quantitatively estimate the charges on these nanostructures as modulated by light. Both results are consistent with each other: the surface potential increases on switching on the light, and the photo-induced charges are around 15–25% and positive. A similar amount of the photo-induced charges in both P3HT islands and fibril is consistent with the π–π stacking nature of these nanostructures. As P3HT is a hole-conducting molecule, positive charges are found easily injected into a single island by a positively biased EFM tip, and then the injected charges are able to propagate all over the island.

CAS / MDL: 1306-23-6 108-90-7
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ANALYTICAL CHEMISTRY · 2017 · IF 6.32

Multi-Förster Resonance Energy Transfer-Based Fluorescent Probe for Spatiotemporal Matrix Metalloproteinase-2 and Caspase-3 Imaging

Hong Cheng,Shi-Ying Li,Hao-Ran Zheng,Chu-Xin Li,Bo-Ru Xie,Ke-Wei Chen,Bin Li,Xian-Zheng Zhang

A novel single-molecular fluorescent probe was developed for spatiotemporal matrix metalloproteinase-2 (MMP-2) and caspase-3 imaging with distinct fluorescence signals. Due to the multi-Förster resonance energy transfer (FRET) processes, the probe could respond to MMP-2 and caspase-3 independently with high signal-to-noise ratio. Moreover, the overexpression of MMP-2 in cancer cell lines and the cisplatin induced cell apoptosis were spatiotemporal imaged with distinct fluorescence emissions. Because of the independent process of the probe for MMP-2 and caspase-3 imaging, the probe could meet the demands for precise disease diagnosis and cancer theranostic applications, which could extensively simplify the processes for precise cancer diagnosis and imaging.

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JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY · 2016 · IF 4.179

Measurement of the interaction enthalpy for mixed micelles of dodecyltrimethylammonium bromide and 1-dodecyl-3-methylimidazolium bromide

Peizhu Zheng,Handi Yin,Jihua Zhao,Weiguo Shen

In order to clarify the nature of the inter-micellar interactions, we developed an approach to obtain the intermicellar interaction enthalpy through measuring the mixing heats of dodecyltrimethylammonium bromide (DTAB)/1-dodecyl-3-methylimidazolium bromide (C 12 mimBr) mixed micelles by using flow-mixing calorimetry . It was found that the inter-micellar interaction enthalpies for this system were negative, representing the attractive enthalpy interactions between the mixed micelle droplets. These results are contradictory to those reported in the literature and interpreted by the predominant attractive dehydration effect of counterion. Static light scattering experiment revealed that the repulsive nature of the interaction characterized by the Gibss free energy should be dominated by the entropy interaction.

CAS / MDL: 1119-94-4
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MOLECULES · 2016 ·Vol. 21 ·期 9 ·1109 · IF 2.465

Stability, Antioxidant Capacity and Degradation Kinetics of Pelargonidin-3-glucoside Exposed to Ultrasound Power at Low Temperature

Jianxia Sun,Zhouxiong Mei,Yajuan Tang,Lijun Ding,Guichuan Jiang,Chi Zhang,Aidong Sun,Weibin Bai

As an alternative preservation method to thermal treatment, ultrasound is a novel non-thermal processing technology that can significantly avoid undesirable nutritional changes. However, recently literature indicated that anthocyanin degradation occurred when high amplitude ultrasound was applied to juice. This work mainly studied the effect of ultrasound on the stability and antioxidant capacity of pelargonidin-3-glucoside (Pg-3-glu) and the correlation between anthocyanin degradation and •OH generation in a simulated system. Results indicated that the spectral intensities of Pg-3-glu decreased with increasing ultrasound power (200–500 W) and treatment time (0–60 min). The degradation trend was consistent with first-order reaction kinetics (R2> 0.9100). Further study showed that there was a good linear correlation between Pg-3-glu degradation and •OH production (R2= 0.8790), which indicated the important role of •OH in the degradation of anthocyanin during ultrasound exposure. Moreover, a decrease in the antioxidant activity of solution(s) containing Pg-3-glu as evaluated by the DPPH and FRAP methods was observed after ultrasound treatment.Keywords:ultrasound;cavitation;degradation;pelargonidin-3-glucoside;antioxidant activity;mechanism

CAS / MDL: 64-18-6 67-56-1 76-05-1
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RSC Advances · 2017 ·Vol. 7 ·期 77 ·48526-48536 · IF 3.108

Corrosion properties of steel in 1-butyl-3-methylimidazolium hydrogen sulfate ionic liquid systems for desulfurization application

Qian Zeng,Jinwei Zhang,Hongye Cheng,Lifang Chen,Zhiwen Qi

Ionic liquids (IL) become more promising in industrial applications, especially in desulfurization processes. It is of great importance to investigate their corrosivity to steel and the effect of steel corrosion on desulfurization performance. In this work, the corrosion behavior of two typical metals, namely mild steel and stainless steel, in 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIM]HSO4) IL systems for desulfurization application were investigated by weight loss and surface analyses. The model oil can inhibit the IL corrosivity, while the presence of water or H2O2 enhances the corrosion degree. The bonding information of [BMIM]HSO4 adsorbed on a steel surface was confirmed using ATR-FTIR. It was found that the IL film is mainly adsorbed on the metal surface by the interaction of the imidazolium group of the cation and HSO4− of the anion with the steel surface. From the ICP-MS and Raman analyses, the primary component of corrosion products is iron sulfate (ferric sulfate for mild steel and ferrous sulfate for stainless steel). Localized corrosion (pitting and/or intergranular corrosion) appears on steel surface from SEM observation, which could be a serious safety risk to the [BMIM]HSO4-based desulfurization systems for industrial application. The corrosion has a side effect on the desulfurization performance of [BMIM]HSO4.

CAS / MDL: 142-82-5 7722-84-1
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CHEMISTRY-A EUROPEAN JOURNAL · 2017 ·Vol. 23 ·期 66 ·16898-16905 · IF 5.317

A Promising High-Voltage Cathode Material Based on Mesoporous Na3V2(PO4)3/C for Rechargeable Magnesium Batteries

Jing Zeng,Yang Yang,Shaobo Lai,Jianxing Huang,Yiyong Zhang,Jing Wang,Jinbao Zhao

Graphical Cathode for magnesium-ion batteries : An electrochemically desodiated phase NaV 2 (PO 4 ) 3 /C has been developed as a high-voltage cathode material (ca. 2.5 V vs. Mg 2+ /Mg) for rechargeable magnesium batteries, offering good cycle performance. The electrochemical reaction involves an intercalation mechanism and shows good reversibility. The lack of suitable high-voltage cathode materials has hindered the development of rechargeable magnesium batteries (RMBs). Here, mesoporous Na 3 V 2 (PO 4 ) 3 /C (NVP/C) spheres have been synthesized through a facile spray-drying–annealing method, and their electrochemically desodiated phase NaV 2 (PO 4 ) 3 /C (ED-NVP/C) has been investigated as an intercalation host for Mg 2+ ions. The obtained ED-NVP/C exhibits an average discharge voltage of around 2.5 V (vs. Mg 2+ /Mg), higher than those of most previously reported cathode materials. In addition, it can deliver an initial discharge capacity of 88.8 mA h g −1 at 20 mA g −1 , with good cycling stability. Ex situ X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) results demonstrate that the electrochemical reaction is based on an intercalation mechanism and shows good reversibility. Galvanostatic intermittent titration technique (GITT) data have revealed that the intercalation process involves a two-phase transition. The reported ED-NVP/C cathode material with high working voltage offers promising potential for application in RMBs.

CAS / MDL: 75-05-8
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ACS Sustainable Chemistry & Engineering · 2016 · IF 5.267

Monoclinic Phase Na3Fe2(PO4)3: Synthesis, Structure, and Electrochemical Performance as Cathode Material in Sodium-Ion Batteries

Yao Liu,Yirong Zhou,Junxi Zhang,Yongyao Xia,Tong Chen,Shiming Zhang

Sodium iron phosphate (Na3Fe2(PO4)3) as cathode material for sodium-ion batteries has been synthesized through a simple method of a solid state reaction. It crystallizes in a monoclinic structure in the space group C2/c. The morphology of the as-prepared sample has been investigated by scanning electron microscopy and transmission electron microscopy. The charge/discharge curves show a very flat plateau at about 2.5 V (vs Na/Na+). The initial specific discharge capacity is 61 mAh g–1 and remains at 57 mAh g–1 after 500 cycles at a current rate of 1 C. X-ray photoelectron spectroscopy measurements indicate that not all of the Fe3+ of Na3Fe2(PO4)3 is reduced during the electrochemical process. The ex-situ X-ray diffraction measurements were applied to research the mechanism of sodium-ion storage; the results indicated that the Na3Fe2(PO4)3 compound partly transformed into Na4Fe2(PO4)3 and Na3+xFe2(PO4)3 compound. These results testify to the potential of monoclinic Na3Fe2(PO4)3 as a cathode material in sodium-ion batteries.

CAS / MDL: 7601-89-0
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JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION · 2014 ·Vol. 29 ·期 5 ·1090-1097 · IF 0.422

Influence of structural variations on electrical conductivity and solubility of 1-vinyl-3-alkylimidazole halogen ionic liquids

Tang Yimei,Hu Xiaoling,Guan Ping,Li Xiaoqian,Tian Tian

Several 1-vinyl-3-alkylimidazolium halogens [VRIM]X, which are functional materials with ethylenic bonds, were synthesized using the microwave-assisted synthesis method. Fourier transform infrared spectroscopy and 1H nuclear magnetic resonance spectroscopy were carried out to analyze the resultant structures. The electrochemical properties and solubility of [VRIM]Br were investigated and discussed in detail. The temperature dependence of pure [VRIM]Br over a wide temperature range of 298.15–323.15 K fitted the Arrhenius equation well. At certain low concentrations, the electrical conductivity of the [VRIM]Br solution significantly increased with increasing solution concentration. The electrical conductivities of the [VRIM]Br observed in water, methanol, and ethanol showed the trend σ water > σ methanol > σ ethanol . Conductometry showed that the critical micelle concentrations of the bromines in water, methanol, and ethanol were 6.8–6.9 × 10 −6 , 1.4–1.5 × 10 −5 , and 1.9–2.0×10 −5 mol·L −1 , respectively; these results indicate that [VRIM]Br is an excellent surfactant. The solubility of [VRIM]X in common solvents was determined at 293.15 K, and results indicated that a decrease in solubility could be observed with decreasing dielectric constant of the solvent, elongation of the alkyl chain of the cation, and increasing anion size. Solubility parameters were also determined according to the Hildebrand-Scoff equation.

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GREEN CHEMISTRY · 2015 ·Vol. 17 ·期 5 ·2888-2895 · IF 8.02

Catalytic conversion of Jatropha oil to alkanes under mild conditions with a Ru/La(OH)3 catalyst

Jian-hua Guo,Guang-yue Xu,Fei Shen,Yao Fu,Ying Zhang,Qing-xiang Guo

The long-chain alkanes obtained from the hydrodeoxygenation of plant oils are ideal substitutes for diesel. In this work, a new efficient catalytic system was established for the conversion of plant oil to long-chain alkanes under mild conditions with a bi-functional Ru/La(OH)3 catalyst. The hydrodeoxygenation of stearic acid was performed in an autoclave with Ru-based catalysts with different supports (HZSM-5, ZSM-5, SiO2–Al2O3, SiO2, ZrO2, Mg(OH)2, La(OH)3, and La2O3). Among these catalysts, Ru supported on basic La(OH)3 showed a remarkable catalytic performance for the reaction. Over 98% of long-chain alkanes were obtained with 100% conversion of stearic acid at 200 °C and 4 MPa H2. When crude Jatropha oil was hydrogenated, about 80.7 wt% of long chain alkanes were obtained under the optimized conditions (200 °C, 4 MPa H2, 8 h). The high efficiency of the Ru/La(OH)3 catalyst could be due to a co-effect of the high hydrogenation activity of Ru and the basic La(OH)3 support which can attract the acidic raw material. Additionally, the Ru/La(OH)3 catalyst was recycled four times and maintained a good activity and stability. The reaction pathway was also explored by using stearic acid as a model compound. Hydrogenation–decarbonylation could be the main pathway to produce n-heptadecane, which has one carbon atom less than stearic acid.

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THERMOCHIMICA ACTA · 2014 · IF 2.105

Solid–liquid equilibrium and thermodynamic research of 3-Thiophenecarboxylic acid in (water + acetic acid) binary solvent mixtures

Xiang Liu,Mengmeng Liang,Yonghong Hu,Wenge Yang,Ying Shi,Jingjing Yin,Yan Liu

In this study, the solubility of 3-thiophenecarboxylic acid was measured in (water   +   acetic acid) binary solvent mixtures in the temperature ranging from 283.15 to 338.15   K by the analytical stirred-flask method under atmospheric pressure. The experimental data were well-correlated with the modified Apelblat equation and the λh equation. In addition, the calculated solubilities showed good agreement with the experimental results. It was found that the modified Apelblat equation could obtain the better correlation results than the λh equation. The experiment results indicated that the solubility of 3-thiophenecarboxylic acid in the binary solvents increased with increasing temperature, increases with increasing water contents, but the increments with temperature differed from different water contents. In addition, the thermodynamic properties of the solution process, including the Gibbs energy , enthalpy, and entropy were calculated by the van’t Hoff analysis. The experimental data and model parameters would be useful for optimizing the process of purification of 3-thiophenecarboxylic acid in industry.

CAS / MDL: 7647-14-5 400713-59-9
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CARBOHYDRATE POLYMERS · 2014 · IF 3.916

Homogeneous tritylation of cellulose in 1-allyl-3-methylimidazolium chloride and subsequent acetylation: The influence of base

Yuxia Lv,Yaliang Chen,Ziqiang Shao,Renxu Zhang,Libin Zhao

Homogeneous tritylation of cellulose in 1-allyl-3-methylimidazolium chloride (AmimCl) ionic liquid with triphenylmethy chloride as regents, pyridine or 1-butylimidazole (BIM) as base was investigated, and subsequent acetylation of the 6- O -functionalized products was further studied. The structure of products was analyzed by FTIR and 13 C NMR spectroscopy and base influences on the structure were discussed as well. The solution with pyridine as base underwent heterogeneous–homogeneous–heterogeneous process and the obtained trityl cellulose (TC) had organized structure with trityl group located completely at C-6 position of cellulose with maximum DS trityl of nearly 1. In the case of BIM as base, the solution was homogeneous for the whole reaction, but the highest DS trityl was about 0.22, with trityl group located not only at position 6 but also partially at position 2. Subsequent acetylation of the TC led to products with a preferred functionalization of the unprotected secondary OH-groups.

CAS / MDL: 4316-42-1 123-62-6
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