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Discovery of novel 4-phenylquinazoline-based BRD4 inhibitors for cardiac fibrosis

Acta Pharmaceutica Sinica B 2022年第1期12卷 291-307页

作者： Zhangxu He haomiao jiao Qi An Xin Zhang Dan Zengyangzong Jiale Xu Hongmin Liu Liying Ma Wen Zhao State Key Laboratory of Esophageal Cancer Prevention and Treatment Key Laboratory of Advanced Pharmaceutical TechnologyMinistry of Education of ChinaSchool of Pharmaceutical SciencesZhengzhou UniversityZhenzhou 450001China China Meheco Topfond Pharmaceutical Co. Zhumadian 463000China

Bromodomain containing protein 4(BRD4), as an epigenetic reader, can specifically bind to the acetyl lysine residues of histones and has emerged as an attractive therapeutic target for various diseases,including cancer, cardiac remodeling and heart failure. Herein, we described the discovery of hit 5 bearing4-phenylquinazoline skeleton through a high-throughput virtual screen using 2,003,400 compound library(enamine). Then, structure-activity relationship(SAR) study was performed and 47 new 4-phenylquinazoline derivatives toward BRD4 were further designed, synthesized and evaluated, using HTRF assay set up in our lab. Eventually, we identified compound C-34, which possessed better pharmacokinetic and physicochemical properties as well as lower cytotoxicity against NRCF and NRCM cells, compared to the positive control JQ1. Using computer-based molecular docking and cellular thermal shift assay, we further verified that C-34 could target BRD4 at molecular and cellular levels. Furthermore, treatment with C-34 effectively alleviated fibroblast activation in vitro and cardiac fibrosis in vivo, which was correlated with the decreased expression of BRD4 downstream target c-MYC as well as the depressed TGF-β1/Smad2/3 signaling *** together, our findings indicate that novel BRD4 inhibitor C-34 tethering a 4-phenylquinazoline scaffold can serve as a lead compound for further development to treat fibrotic cardiovascular disease.

关键词： BRD4 Inhibitor 4-Phenylquinazoline Cardiac fibrosis

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不同给药方式建立异丙肾上腺素诱导小鼠心肌纤维化模型的评价

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医学研究杂志 2023年第1期52卷 42-45页

作者：焦浩淼赵文郑州市第七人民医院 450016 郑州大学药物研究院 450001

目的评价2种不同的给药方式建立异丙肾上腺素(isoproterenol,ISO)诱导小鼠心肌纤维化模型的效果。方法选取60只8~10周龄的雄性C57BL/6J小鼠,随机分为对照组、模型组A和模型组B,每组各20只。对照组小鼠给予腹腔注射0.9%氯化钠溶液,模型组... 详细信息

目的评价2种不同的给药方式建立异丙肾上腺素(isoproterenol,ISO)诱导小鼠心肌纤维化模型的效果。方法选取60只8~10周龄的雄性C57BL/6J小鼠,随机分为对照组、模型组A和模型组B,每组各20只。对照组小鼠给予腹腔注射0.9%氯化钠溶液,模型组A小鼠腹腔注射ISO[5mg/(kg·d)],模型组B小鼠皮下多点注射ISO[5mg/(kg·d)],每天1次,连续给药21天。在末次给药24h后采用小动物超声仪检测小鼠心功能,计算左心室重量(left ventricular mass,LV mass)、左心室射血分数(left ventricular ejection fraction,LVEF)和左心室短轴缩短率(left ventricular fractional shortening,LVFS),并计算不同时间点的小鼠死亡率;小鼠安乐死后取材计算心脏重量与体质量比率(HW/BW)、心脏重量与胫骨长度比率(HW/TL)和肺脏重量与体质量比率(LW/BW);通过Masson染色观察心肌纤维化的程度;Western blot法检测小鼠心脏组织胶原蛋白表达水平。结果与对照组比较,模型组A和模型组B小鼠均出现心脏重量增加,心室腔变大,心功能下降,心肌纤维增生,心肌胶原蛋白表达增加,表明心肌纤维化模型构建成功。与模型组B比较,模型组A小鼠的生存率、EF和FS值较低(P0.05)。结论腹腔注射和皮下多点注射ISO均可成功建立小鼠心肌纤维化模型,但皮下多点注射方法构建小鼠心肌纤维化模型的效果更好。

关键词：异丙肾上腺素心肌纤维化腹腔注射皮下多点注射

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基于振动信号PSD-SVM方法的不定负荷下柴油机气阀间隙异常故障诊断

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振动与冲击 2024年第2期43卷 299-305页

作者：聂浩淼车驰东上海交通大学船舶海洋与建筑工程学院上海200240

针对许多基于振动信号的故障诊断方法在不同负荷下的诊断不全面的问题。提出了一种基于功率谱密度(power spectral density,PSD)与支持向量机(support vector machine,SVM)的故障诊断方法。该方法将振动信号功率经过滑动平均滤波(moving... 详细信息

针对许多基于振动信号的故障诊断方法在不同负荷下的诊断不全面的问题。提出了一种基于功率谱密度(power spectral density,PSD)与支持向量机(support vector machine,SVM)的故障诊断方法。该方法将振动信号功率经过滑动平均滤波(moving average filter,MAF)处理,计算样本中每个周期的标准化信号的功率谱特征,再使用核方法SVM进行特征分类,从而实现故障诊断。经过柴油机实机测试,该方法对于不同负荷下的故障识别率达到96.72%,能有效识别不同负荷下的柴油机进排气阀间隙增大故障。

关键词：故障诊断振动测试信号处理支持向量机(SVM)

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低冰粘附防/除冰涂层的技术现状及研究趋势

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复合材料学报 2024年第5期41卷 2181-2200页

作者：金浩正矫维成李君孙浩淼彭建白杰赫晓东哈尔滨工业大学特种环境复合材料技术国家级重点实验室哈尔滨150001 成都泰格尔航天航空科技股份有限公司成都611100

结冰是一种常见的自然现象,冰的形成和堆积会给航空航天、舰船交通、电力系统、能源设施等带来许多安全问题。研究防/除冰材料及技术,提升防御结冰灾害的应对能力,对日常生活、工业生产、国防军工等具有重要意义。低冰粘附防/除冰涂层... 详细信息

结冰是一种常见的自然现象,冰的形成和堆积会给航空航天、舰船交通、电力系统、能源设施等带来许多安全问题。研究防/除冰材料及技术,提升防御结冰灾害的应对能力,对日常生活、工业生产、国防军工等具有重要意义。低冰粘附防/除冰涂层利用材料本身的性能显著降低冰与表面的粘附力,使冰在风力或自重作用下脱离,具有广阔的发展前景。本文首先介绍了冰的形成原理和结冰类型。随后,从纳米、微米等不同尺度总结分析了低冰粘附防/除冰涂层理论模拟方面的研究进展。根据降低冰粘附机制的不同,分别介绍了超疏水涂层、润滑表面涂层、低模量弹性体涂层、应力集中诱发裂纹涂层、低界面韧性涂层等不同类型涂层的除冰机制和制备方法。综述了冰粘附性的评价指标和实验方法,阐述了各种冰粘附强度测试方法的优缺点。最后,展望了低冰粘附防/除冰涂层未来的研究方向。

关键词：防/除冰低冰粘附理论模拟力学机制测试方法

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Wolf is Coming-Dynamic Classification Prediction Model of Vespa Mandarinia

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Journal of Environmental & Earth Sciences 2021年第1期3卷 41-47页

作者： Yang Yue haomiao Niu jiao Liu Mathematical Modeling Innovation Lab North China University of Science and TechnologyTangshanHebei063210China School of Chemical Engineering North China University of Science and TechnologyTangshanHebei063210China School of Clinical Medicine North China University of Science and TechnologyTangshanHebei063210China

Given the threat of Vespa mandarinia invasion to ecological balance,according to the data and information provided,the dynamic reproduction model of Vespa mandarinia is established by using natural domain interpolation,and the variation law of total bumblebee with time,latitude,and longitude is *** the same time,we established the classification prediction model by using a neural network and established the mapping relationship between time and space to evaluation *** meshed the area provided by the title,assigned values to the location of Vespa mandarinia(VM),and established a VM diffusion model with natural neighborhood *** propagation process is simulated by cellular *** is determined that VM spreads in a circular shape centered at(122.93174°W,48.93457°N)and(122.57376°W,49.07848°N)in the Washington area,with the farthest distance being 1184.4 km and 985 km *** set up a classification prediction model for better ***cording to the image upload time and location,SVM and neural network are used for classification prediction,and the classification accuracy is 74.26%and 97.60%,respectively,and the neural network has higher classification *** we choose the neural network.

关键词： Neural network Ecological equilibrium Dynamic reproduction

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Absorption characteristics of elemental mercury in mercury chloride solutions

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Journal of Environmental Sciences 2014年第11期26卷 2257-2265页

作者： Yongpeng Ma haomiao Xu Zan Qu Naiqiang Yan Wenhua Wang School of Environmental Science and Engineering Shanghai Jiao Tong University

Elemental mercury （Hg^0） in flue gases can be efficiently captured by mercury chloride （HgCl2） solution. However, the absorption behaviors and the influencing effects are still poorly understood. The mechanism of Hg^0 absorption by HgCl2 and the factors that control the removal were studied in this paper. It was found that when the mole ratio of Cl^- to HgCl2 is 10：1, the Hg^0 removal efficiency is the highest. Among the main mercury chloride species, HgCl3^- is the most efficient ion for Hg^0 removal in the HgCl2 absorption system when moderate concentrations of chloride ions exist. The Hg^0 absorption reactions in the aqueous phase were investigated computationaIIy using Moller-Plesset perturbation theory. The calculated Gibbs free energies and energy barriers are in excellent agreement with the results obtained from experiments. In the presence of SO3^2- and SO2, Hg^2＋ reduction occurred and Hg^0 removal efficiency decreased. The reduced Hg^0 removal can be controlled through increased chloride concentration to some degree. Low pH value in HgCla solution enhanced the Hg^0 removal efficiency, and the effect was more significant in dilute HgCl2 solutions. The presence of SO4^2- and NO3^- did not affect Hg^0 removal by HgCl2.

关键词： Nonferrous metal Smelting flue gas Elemental mercury Mercury chloride

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Hierarchical Ag-SiO_2@Fe_3O_4magnetic composites for elemental mercury removal from non-ferrous metal smelting flue gas

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Journal of Environmental Sciences 2019年第5期31卷 111-120页

作者： Yongpeng Ma Bailong Mu Xiaojing Zhang Hongzhong Zhang haomiao Xu Zan Qu Li Gao Henan Collaborative Innovation Center of Environmental Pollution Control and Ecological Restoration School of Material and Chemical Engineering Zhengzhou University of Light Industry School of Environmental Science and Engineering Shanghai Jiao Tong University College of Resources and Environmental Science Ningxia University

Hierarchical Ag-SiO_2@Fe_3O_4 magnetic composites were selected for elemental mercury(Hg^0) removal from non-ferrous metal smelting flue gas in this study. Results showed that the hierarchical Ag-SiO_2@Fe_3O_4 magnetic composites had favorable Hg^0 removal ability at low temperature. Moreover, the adsorption capacity of hierarchical magnetic composite is much larger than that of pure Fe_3O_4 and SiO_2@Fe_3O_4. The Hg^0 removal efficiency reached the highest value as approximately 92% under the reaction temperature of 150°C, while the removal efficiency sharply reduced in the absence of O_2. The characterization results indicated that Ag nanoparticles grew on the surface of SiO_2@Fe_3O_4 support. The large surface area of SiO_2 supplied efficient reaction room for Hg and Ag atoms. Ag–Hg amalgam is generated on the surface of the composites. In addition, this magnetic material could be easily separated from fly ashes when adopted for treating real flue gas, and the spent materials could be regenerated using a simple thermal-desorption method.

关键词： Elemental mercury Silver nanoparticles Magnetic composites Non-ferrous metal Flue gas

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Surface protection method for the magnetic core using covalent organic framework shells and its application in As(Ⅲ)depth removal from acid wastewater

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Journal of Environmental Sciences 2022年第5期34卷 1-9页

作者： Wenjun Huang haomiao Xu Xiaoshuang Liu Longlong Wang Shutang Li Leipeng Ji Zan Qu Naiqiang Yan School of Environmental Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China

Fe_(3)O_(4)-based materials are widely used for magnetic separation from ***,they often suffer from Fe-leaching behavior under acidic conditions,decreasing their ac-tivity and limiting sustainable practical *** this study,covalent organic frame-works(COFs)were used as the shell to protect the Fe_(3)O_(4) core,and the Fe_(3)O_(4)@COF core-shell composites were synthesized for As(Ⅲ)removal from acid *** imine-linked COFs can in situ grow on the surface of the Fe_(3)O_(4) core layer by layer with[COFs/Fe_(3)O_(4)]mol ratio of up to 2∶*** Fe-leaching behavior was weakened over a wide pH range of ***,such composites keep their magnetic characteristic,making them favorable for nanomaterial ***(Ⅲ)batch adsorption experiments results indicated that,when COFs are used as the shell for the Fe_(3)O_(4) core,a balance between As(Ⅲ)removal efficiencies and the thickness of the COF shell *** As(Ⅲ)removal efficiencies are obtained when the[COFs/Fe_(3)O_(4)]mol ratios were<1.5∶1,but thicker COF shells were not beneficial for As(Ⅲ)*** composites also exhibited better As(Ⅲ)removal performances in the pH range of *** a wide pH range,the zeta potential of Fe_(3)O_(4)@COF core-shell compos-ites becomes more positive,which benefits the capture of negative arsenic *** addition,thinner surface COFs were favorable for mass transfer and facilitating the reaction of Fe and As *** study highlights the promise of using COFs in nanomaterial surface protection and achieving As(Ⅲ)depth removal under acidic conditions.

关键词： Arsenic ions Covalent Organic Framework Core-shell structure Surface protectionLayer Thickness

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Enhanced simultaneous absorption of NO_(x) and SO_(2) in oxidation-reduction-absorption process with a compounded system based on Na_(2)SO_(3)

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Journal of Environmental Sciences 2022年第1期34卷 1-10页

作者： Sichao Li Wenjun Huang haomiao Xu Kai Liu Jia-nan Wang Yaning Sun Zan Qu Naiqiang Yan School of Environmental Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China Jinan Motor Vehicle Pollution Prevention and Control Center(Jinan Ecological Environment Information Center) Jinan 250000China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China

Oxidation of sulfite and competitive absorption existed in Na_(2)SO_(3) solution for simultaneous removal of NO_(x) and SO_(2),inhibited the long-term high-efficiency when used for practical applications.A matching strategy was developed to solve these *** combination was used to retard the oxidation of antioxidant and enhance inhibition of S(IV)(tetravalent sulfur)***(HQ)and sodium thiosulfate(ST)showed a positive synergistic effect on inhibition of S(IV)*** SO_(2) concentration was 500 and 2000 ppmV,the addition of 0.1 wt.%HQ and 1 wt.%ST decreased the percentage of S(IV)oxidized by oxygen by over 30%and 40%,***(Na_(2)CO_(3))alleviated the competitive absorption between NO_(x) and SO_(2).Moreover,Na_(2)CO_(3) exhibited an enhancement effect on the absorption of NO_(x) and SO_(2) when coupled with *** the increase of oxygen pressure accelerated the oxidation of S(IV),the anti-oxidants can retard the *** measurement of pH suggested the removal efficiency of NO_(x) highly depended on SO_(3)^(2-) concentration rather than *** further investigation of the mechanism suggested the match effect was related to the interaction between ST and the intermediate product of *** match strategy holds a potential for application of SO_(3)^(2-) to denitration.

关键词： Denitration Non-ferrous metal smelting flue gas Oxidation inhibition Oxidation-reduction-absorption Synergistic effect

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Regulated adsorption sites using atomically single cluster over biochar for efficient elemental mercury uptake

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Biochar 2023年第1期5卷 258-272页

作者： Jiaxing Li Hongli Li haomiao Xu Qinyuan Hong Leipeng Ji Zhisong Liu Yixiang Qiu Wenjun Huang Naiqiang Yan Zan Qu School of Environmental Science and Engineering Shanghai Jiao Tong University800 Dongchuan RoadShanghai 200240China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China Key Laboratory of Magnetism and Magnetic Materials of the Ministry of Education School of Physical Science and Technology and ElectronMicroscopy Centre of Lanzhou UniversityLanzhou UniversityLanzhou 730000People’s Republic of China School of Chemistry and Chemical Engineering Shanghai Jiao Tong University800 Dongchuan RoadShanghai 200240China

Carbon-based materials have been widely used in gaseous pollutant removal because of their sufficient surface functional groups;however,its removal efficiency for elemental mercury(Hg^(0))is *** this study,we fabricated biomass using a chelated coupled pyrolysis strategy and further constructed the regulated adsorption sites for gaseous Hg^(0) uptake.A series of Mnδ-N_(2)O_(2)/BC with different manganese cluster sizes demonstrated that manganese clusters anchored on biochar acted as highly active and durable adsorbents for Hg^(0) immobilization,which increased the adsorption efficiency of Hg^(0) by up to 50%.Shrimp-and crab-based biochar adsorbents exhibited excellent Hg^(0) removal because of their chitosan-like *** particular,small Mn clusters and oxygen species around the defect led to a boost in the Hg^(0) adsorption by *** results of density functional theory calculation revealed that the presence of oxygen in the carbon skeleton can tune the electrons of small-sized Mn clusters,thereby promoting the affinity of mercury *** newly developed Mnδ-N_(2)O_(2)/BCshrimp had an adsorption capacity of 7.98-11.52 mg g^(−1) over a broad temperature range(50-200°C)and showed a high tolerance to different industrial flue gases(H2O,NO,HCl,and SO2).These results provide novel green and low-carbon disposal methods for biomass resource utilization and industrial Hg^(0) emission control.

关键词： Biomass Heteroatoms Manganese clusters Elemental mercury Waste recycling

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