JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
·
2019
·
IF 3.31
Ning Wang,Xinxin Han,Junya Li,Ying Wang,Wenquan Yu,Ruiyong Wang,Junbiao Chang
In this study, the interaction between 3-phenyl-1H-indazole (1a) and the fat mass and obesity-associated (FTO) protein was confirmed by isothermal titration calorimetry (ITC). The structure feature of 1a was different from our previously reported FTO inhibitors (radicicol, N-CDPCB and CHTB); the Cl and diol group in structure motif is critical for inhibitors to bind to FTO. In order to test whether there is specificity for the interaction between FTO and 1a, the interactions between 1a and four important proteins (human serum albumin (HSA), pepsin, catalase and trypsin) were investigated by ITC, spectroscopy and molecular docking methods. ITC results showed spontaneous exothermic reactions occurring between 1a and the proteins except trypsin under investigated conditions. The order of the binding affinity of 3-phenyl-1H-indazole is catalase > HSA > FTO > pepsin. Comparison between ITC and spectral results was made. This work will provide the basis for the design of novel inhibitors for FTO.
AbbreviationsCAT=catalaseDMSO=dimethyl sulfoxideFTO=fat mass and obesity-associated proteinHSA=human serum albuminPep=pepsinTry=trypsinCommunicated by Ramaswamy H. Sarma
研究领域:
生物化学
·
药物设计
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Sensor Letters
·
2017
·Vol. 15
·期 8
·639-646
·
IF 0
Yang Yu Jun,Li Weikun
In this work, multiwalled carbon nanotubes (MWCNT) were facilely functionalized with copper(II)/1Hbenzotriazole (BTA) complex (Cu-BTA) via π–π interaction. Cyclic voltammetry (CV), Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) were
used to characterize the Cu-BTA modified MWCNT, denoted as Cu-BTA/MWCNT. Experimental results indicate that Cu-BTA is redox-active and the surface of MWCNT was uniformly covered with the thin film of Cu-BTA. Further investigation shows that Cu-BTA/MWCNT exhibited excellent catalytic capabilities
towards the reduction of hydrogen peroxide. The sensors based on Cu-BTA/MWCNT modified glassy carbon electrodes (GCE), denoted as Cu-BTA/MWCNT/GCE, present wide linear range, low detection limit and high sensitivity for the determination of hydrogen peroxide. Using amperometric i–t
measurement, the linear range, the limit of detection (LOD) and the sensitivity for the detection of H2O2 are 5 × 10–7∼1.0 × 10–3 M, 2.21 × 10–7 M and 1.33 μA/μM, respectively.
Cu-BTA/MWCNT/GCE was also successfully used in the determination of hydrogen peroxide because of its excellent selectivity and stability.
研究领域:
材料科学
·
电化学
·
分析化学
✓ 已验证
DOI
JOURNAL OF HETEROCYCLIC CHEMISTRY
·
2014
·Vol. 52
·期 4
·1219-1225
·
IF 0.873
Guang-Fan Han,Li-Jun Zhao,Li-Zhuang Chen,Jia-Wei Du,Zhong-Xia Wang
The 2-arylidene-3-oxobutanenitrile derivatives 2 were prepared by the Knoevenagel condensation between aldehydes and 3-oxobutanenitrile 1 , which was obtained by acid hydrolysis of β-aminocrotononitrile. 3-Acetyl-2-amino-4 H -chromen-5(6 H )-one derivatives 3 were synthesized by reaction of 2-arylidene-3-oxobutanenitrile 2 and 5-substituted-1,3-cyclohexanedione in ethylene glycol. The 11-methyl-3,8-disubstituted-12-aryl-3,4,7,8,9,12-hexahydro-1 H -chromeno[2,3- b ]quinoline-1,10(2 H )-dione derivatives 4 were obtained by Friedländer reaction of compounds 3 with 5-substituted-1,3-cyclohexanedione, using p -toluenesulfonic acid monohydrate as catalyst. The structures of all novel compounds were characterized by elemental analysis, IR, MS, and 1 H NMR spectra. The crystal and molecular structure of compound 4f has been determined by single crystal XRD analysis.
研究领域:
有机化学
·
药物化学
✓ 已验证
产品关联
DOI
高影响因子
TETRAHEDRON
·
2015
·
IF 2.641
Xiong-Li Liu,Wen-Hui Zhang,Zhen Yao,Xiong-Wei Liu,Li-Jun Peng,Zhi Zhao,Yi Lu,Ying Zhou,Wei-Cheng Yuan
A new methodology was developed for the synthesis of hexahydro-1 H -pyrido[2,3- b ]indol-2-one scaffolds via a sequential Michael addition/amidation/reductive cyclization process. A wide variety of products bearing a hexahydro-1 H -pyrido[2,3- b ]indol-2-one core with varying degrees of substitution around it, which is a key structural skeleton found in a large number of biologically active natural products and pharmaceutical compounds, were obtained smoothly with high efficiency (up to overall yield of 67%). Furthermore, their biological activities have been preliminarily demonstrated by in vitro evaluation against human prostate cancer cells PC-3, human lung cancer cells A549 and human leukemia cells K562 by the MTT-based assays, using the commercially available standard drug Cisplatin as a positive control. These results suggested there is a trend that lipophilic groups improve the potency, and also suggested a carbonyl moiety located in the hexahydro-1 H -pyrido[2,3- b ]indol-2-one scaffolds is beneficial for the activity. The results also demonstrated that most of the compounds showed considerable cytotoxicities to these three cell lines K562, A549 and PC-3, and that hexahydro-1 H -pyrido[2,3- b ]indol-2-one scaffolds may be potential leads for further antitumor activity screenings.
研究领域:
有机化学
·
药物化学
·
肿瘤学
✓ 已验证
产品关联
DOI
高影响因子
ACS Sustainable Chemistry & Engineering
·
2021
·
IF 8.198
Ran Ping,Penghui Zhao,Qianqian Zhang,Guangyu Zhang,Fusheng Liu,Mengshuai Liu
Novel aminophenol-based protic ionic liquids (APILs) were designed and synthesized via one-step neutralization, and they were used as catalysts for conversion of 2-aminobenzonitriles and CO2 from simulated flue gases to produce quinazoline-2,4(1H,3H)-diones under mild conditions. The effects of anion–cation structures of APILs, various solvents, reaction parameters, and water contents on the product yields were investigated in detail. The catalyst recyclability and general applicability to different substrates were examined. It showed that both the basicity of the reaction media and the synergistic activation of zwitterions to reactants played important roles during the catalysis. The optimum [HTMG][m-AP] catalyst cooperating with the dimethylformamide (DMF) solvent could selectively convert CO2 into various quinazoline-2,4(1H,3H)-diones with good to excellent product yields at 60 °C and in a 0.1 MPa simulated flue gas atmosphere. In addition, [HTMG][m-AP]/DMF was easily recycled and could be reused in up to five consecutive cycles without an obvious loss of activity. By comparison with the reported catalysts, [HTMG][m-AP]/DMF here showed a superior catalytic performance and a great potential for development. Finally, the activation behaviors of [HTMG][m-AP]/DMF to reactants were studied, and a synergistic catalytic mechanism was proposed.
研究领域:
化学工程
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Ping Ye,Weimiao Wang,Xiaodong Li,Zhiqiang Qiao,Yirui Lu,Bing Huang,Liangfei Bai,Liang Chen,Xiaoqing Tu,Rui Li,Guangcheng Yang,Guoqing Lv
Although laser ignition is considered to be one of the most promising ways to detonate energetic materials due to its high safety and reliability, it is still a challenge to achieve direct ignition of energetic materials by a laser with low-power and near-infrared (NIR) band. In this paper, a molecular self-assembly strategy based on recrystallization was utilized to prepare 4,4′,5,5′-tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine (DATNBI) crystals with various micro-nano structures. The characterization results suggest that DATNBI crystals with different degrees of roughness and defects by the induction of solvents and surfactants. The crystal defects can not only bring about the enhancement of light absorption of DATNBI in NIR band, but also advance its thermal decomposition, providing reliable support for direct laser ignition of DATNBI profit from the hot spot ignition theory. Combined with density functional theory, it is speculated that electrons of defect states achieve electron-hole recombination by laser radiation, thereby enhancing photothermal conversion. Compared with raw DATNBI, DATNBI crystals with rough surface and abundant defects can be directly ignited by a NIR laser and exhibits self-sustainable combustion. In summary, a direct NIR laser-ignitable energetic material has been prepared via appropriate crystal structure design.
研究领域:
材料科学
·
光学工程
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
·
2022
·Vol. 77
·期 9
·643-649
·
IF 1.115
Gao-Feng Wang,Hai-Ying Yang,De-Qun Peng,Shu-Wen Sun
Two coordination polymers, [Zn 2 (bipmo) 2 (1,4-nda) 2 ]
n
( 1 ), {[Cd(bipmo)(1,4-nda)]·(H 2 O)}
n
( 2 ), (bipmo = bis(4-(1 H -imidazol-1-yl)phenyl)methanone, H 2 (1,4-nda) = naphthalene-1,4-dicarboxylic acid), were synthesized under solvothermal conditions. The complexes have been characterized by elemental analyses, IR spectroscopy and single-crystal X-ray diffraction. Complex 1 possesses 3D 2-fold interpenetrating nets with the Schläfli symbol {6 5 ·8}. Complex 2 consists a 3D net with the Schläfli symbol {4 4 ·6 10 ·8}. The luminescent properties of complexes 1 and 2 have been investigated.
研究领域:
化学
·
材料科学
✓ 已验证
DOI
高影响因子
DESALINATION
·
2013
·
IF 3.041
Ben Zhang,Dapeng Zhou,Xiaogai Lv,Ying Xu,Yuanchen Cui
A novel scale and corrosion inhibitor , polyaspartic acid/3-amino-1H-1,2,4-triazole-5-carboxylic acid hydrate graft copolymer was synthesized by maleic anhydride , urea and 3-amino-1H-1,2,4-triazole-5-carboxylic acid hydrate. The graft copolymer possesses good corrosion inhibition properties and outstanding scale inhibition performance for CaCO 3 , Ca 3 (PO 4 ) and CaSO 4 in the simulation experiment. The inhibition efficiency of graft copolymer is close to 100% for Ca 3 (PO 4 ) scale, polyaspartic acid (PASP) and only 22% when inhibitor concentration is 12 mg/L. Moreover, the inhibition corrosion efficiency can reach up to 75%, with PASP just 45% when inhibitor concentration is 16 mg/L.
研究领域:
材料科学
·
腐蚀与防护
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
Food Bioscience
·
2025
·
IF 5.9
Shuai Wang,Jiayang Li,Cong Xie,Wanhui Chen,Huajie Feng,Wenying He
Our previous study found that 1-(4-bromophenyl)-5-phenyl-1H-1,2,3-triazole (BPT) exhibited very low toxicity and higher biology activity. In the present study, BPT was used to investigate its mechanism against Colletotrichum gloeosporioides in mango by chemical proteomics and chemicobiological methods. The experimental results of some phenotypic traits and cytotoxicity indicated that there are some changes in permeability of the cell membranes and BPT has fungistatic activity with lower cytotoxicity. Next, a biotin probe named BPTN with a higher activity (EC 50 value of 11.08 mg/L) than that of BPT(EC 50 value of 14.13 mg/L) was designed and synthesized by the chemical proteomics approach. The major differentially expressed proteins between BPT or BPTN and Colletotrichum gloeosporioides were identified and analyzed by Matrix-assisted laser desorption time-of-flight mass spectrometry (MALDI-TOF-MS) and bioinformatics. The results indicated that there are 25 differentially expressed proteins in Colletotrichum gloeosporioides under BPT intervention, and 29 target proteins in Colletotrichum gloeosporioides captured by BPTN. For BPTN-anthracnose system, the protein No. 8 belonged to cytochrome P450 proteins (CYP) family can be taken as a target protein of BPTN, which confirmed by bioinformatics analysis. Further, a classic fungal target protein of triazoles, sterol 14α-demethylase (CYP51) was used to verify the interaction in the presence of BPT by various spectroscopic and molecular docking methods. The results showed that BPT exhibited strong interactions with CYP51 and it was predominantly driven by hydrophobic forces and hydrogen bonds. The present study has significant theoretical and practical implications for the development of novel 1,2,3-triazole antifungal agents.
研究领域:
植物病理学
·
药理学
·
分子生物学
✓ 已验证
DOI
高影响因子
BIOORGANIC CHEMISTRY
·
2024
·
IF 4.5
Qian Zhou,Wei-Hao Luo,Bei Zhang,Zhao-Hang Xue,Qing-Hua Huang,Ling-Ling Feng,Yinuo Wu,Chen Zhang
Inflammatory bowel disease (IBD) is a chronic inflammatory disease that affects the entire gastrointestinal tract. The complex etiology of IBD made it difficult to cure. Phosphodiesterases (PDEs) have garnered significant attention due to their involvement in immune and inflammatory responses in IBD. Most recently, we have reported a novel PDE1 inhibitor 1 with quinolin-2(1 H )-one scaffold, demonstrating anti-IBD effects. However, its short half-life (t 1/2 ) in the rat liver microsomes (RLMs) is relatively short. In this study, structural optimization of compound 1 was performed to improve metabolic stability. Combined with molecular docking and dynamics simulations, a series of quinolin-2(1 H )-one derivatives were synthesized. Among them, compound 7a showed an excellent IC 50 value of 11 nM, high selectivity to PDE1 compared to other PDEs, and good metabolic stability with RLM t 1/2 of 67.3 min. The binding pattern between 7a and PDE1 revealed an additional hydrogen bond with Cys410, which could enhance the inhibitory activity. Furthermore, compound 7a demonstrated anti-inflammatory properties by reducing cytokine production and antioxidant activity in LPS-induced Raw264.7 cells, which contributed to its effectiveness against IBD. We believe that compound 7a could serve as an ideal tool for further pharmacological research on IBD.
研究领域:
药理学
·
药物化学
·
炎症研究
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Renxin Wang,Yuanzuo Zou,Jingzhou Guo,Yuan Pu,Dan Wang
1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene (TPBi) is normally used as functional materials in organic light-emitting diodes (OLEDs) and the information about the solubilities of TPBi in organic solvents is crucial for the preparation of inks toward inkjet printing technology, which is considered to be a next-generation manufacturing method for OLED production. The solubilities of TPBi in 12 kinds of organic solvents, including n-hexane, cyclohexane, methanol, ethanol, isopropanol, n-butanol, acetonitrile, ethyl acetate, dimethyl sulfoxide, tetrahydrofuran, chlorobenzene, and trichloromethane, at the temperature range from 283.15 to 323.15 K and atmospheric pressure were determined based on the isothermal saturation method. The obtained solubility data were correlated by the modified Apelblat equation and the correlated results exhibited good agreement with the experimental data. The nanonization of TPBi was conducted via high gravity-assisted solvent/antisolvent precipitation processing, which showed a beneficial effect for film formation.
研究领域:
材料科学
·
化学工程
·
纳米技术
·
有机电子学
✓ 已验证
产品关联
DOI
高影响因子
ACS Applied Polymer Materials
·
2023
·
IF 5
Yumiao Su,Wenmu Li
Proton exchange membranes prepared from poly(aryl sulfone)s still need to overcome the drawbacks of chemical stability in acidic environments and low electrical conductivity due to water loss at high temperatures. Herein, we synthesized densely sulfonated poly(aryl sulfone) proton exchange membranes containing a 1H-imidazo[4,5-F][1,10]-phenanthroline moiety on the side chain with a metal ion coordination function. The coordination of 1H-imidazo[4,5-F][1,10]-phenanthroline groups to metal ions can effectively prevent the formation of •OH radicals from homolytic cleavage of H2O2 catalyzed by metal ions. Since the conditions for the continuous formation of •OH radicals are fundamentally eliminated, the antioxidant stability of the membrane material is greatly improved. Mesoscale microscopic simulations showed that 1H-imidazo[4,5-F][1,10]-phenanthroline has the effect of inducing phase separation, endowing the proton exchange membrane with a larger hydrophilic structural domain and possibly constructing a better connected channel for proton transport. Notably, these membranes can efficiently capture the Fe2+ and Fe3+ ions to form stable [Fe(phen)3]2+ and [Fe(phen)3]3+ interconnection points, respectively, which could not only enforce the water retention and the mechanical properties of the membranes but also serve as a catalyzed point to prevent H2O2 from undergoing homolytic cleavage and forming •OH radicals.
研究领域:
材料科学
·
化学工程
·
能源技术
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）