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81.
Claudia Giuseppina Fresta Giuseppe Caruso Annamaria Fidilio Chiara Bianca Maria Platania Nicol Musso Filippo Caraci Filippo Drago Claudio Bucolo 《International journal of molecular sciences》2020,21(23)
Activation of P2X7 signaling, due to high glucose levels, leads to blood retinal barrier (BRB) breakdown, which is a hallmark of diabetic retinopathy (DR). Furthermore, several studies report that high glucose (HG) conditions and the related activation of the P2X7 receptor (P2X7R) lead to the over-expression of pro-inflammatory markers. In order to identify novel P2X7R antagonists, we carried out virtual screening on a focused compound dataset, including indole derivatives and natural compounds such as caffeic acid phenethyl ester derivatives, flavonoids, and diterpenoids. Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) rescoring and structural fingerprint clustering of docking poses from virtual screening highlighted that the diterpenoid dihydrotanshinone (DHTS) clustered with the well-known P2X7R antagonist JNJ47965567. A human-based in vitro BRB model made of retinal pericytes, astrocytes, and endothelial cells was used to assess the potential protective effect of DHTS against HG and 2′(3′)-O-(4-Benzoylbenzoyl)adenosine-5′-triphosphate (BzATP), a P2X7R agonist, insult. We found that HG/BzATP exposure generated BRB breakdown by enhancing barrier permeability (trans-endothelial electrical resistance (TEER)) and reducing the levels of ZO-1 and VE-cadherin junction proteins as well as of the Cx-43 mRNA expression levels. Furthermore, HG levels and P2X7R agonist treatment led to increased expression of pro-inflammatory mediators (TLR-4, IL-1β, IL-6, TNF-α, and IL-8) and other molecular markers (P2X7R, VEGF-A, and ICAM-1), along with enhanced production of reactive oxygen species. Treatment with DHTS preserved the BRB integrity from HG/BzATP damage. The protective effects of DHTS were also compared to the validated P2X7R antagonist, JNJ47965567. In conclusion, we provided new findings pointing out the therapeutic potential of DHTS, which is an inhibitor of P2X7R, in terms of preventing and/or counteracting the BRB dysfunctions elicited by HG conditions. 相似文献
82.
周林 《计算机工程与应用》2019,55(8):264-270
针对交通拥挤环境下日益增长的城市配送需求,通过分析时序依赖对成本和碳排放的影响,引入车辆在节点等待和离散调度策略,研究基于时序依赖的低碳城市配送车辆路径与离散调度问题。为求解该问题,设计基于遗传算法与局部搜索相结合的混合进化搜索算法对模型求解,用积极的局部搜索机制替代随机的变异操作,并通过可行解构造算法、变概率交叉和多种局部搜索策略来提高算法求解质量和求解效率。通过对比仿真实验对算法和模型的有效性进行了验证。 相似文献
83.
Global decrease in crude oil resources and frequent crude oil leaks cause the energy crisis and ecological pollution. The absorption and release of leaked crude oil through absorption materials are a necessary process for environmental protection and recycling. In this article, a CO2-responsive olefin copolymer was obtained by copolymerization of styrene and an amine-containing olefin monomer. The structure of resultant copolymer was characterized by FTIR; thermal properties and CO2-responsive morphology changes were determined by DSC/TGA and SEM, respectively. Copolymers had certain absorption capacity for toluene with absorption rate up to 180.0%. The absorbed toluene could be released upon CO2 stimulation with desorption rate up to 84.6%. The CO2-responsive copolymer could be regenerated through a simple heating process and showed stable absorption–desorption performance even after being recycled for 4 times. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47439. 相似文献
84.
NO2 fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO2 fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO2 fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy. 相似文献
85.
Mri Miczi Mria Golda Balzs Kunkli Tibor Nagy Jzsef Tzsr Jnos Andrs Mtyn 《International journal of molecular sciences》2020,21(24)
The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of coronavirus disease-19 (COVID-19) being associated with severe pneumonia. Like with other viruses, the interaction of SARS-CoV-2 with host cell proteins is necessary for successful replication, and cleavage of cellular targets by the viral protease also may contribute to the pathogenesis, but knowledge about the human proteins that are processed by the main protease (3CLpro) of SARS-CoV-2 is still limited. We tested the prediction potentials of two different in silico methods for the identification of SARS-CoV-2 3CLpro cleavage sites in human proteins. Short stretches of homologous host-pathogen protein sequences (SSHHPS) that are present in SARS-CoV-2 polyprotein and human proteins were identified using BLAST analysis, and the NetCorona 1.0 webserver was used to successfully predict cleavage sites, although this method was primarily developed for SARS-CoV. Human C-terminal-binding protein 1 (CTBP1) was found to be cleaved in vitro by SARS-CoV-2 3CLpro, the existence of the cleavage site was proved experimentally by using a His6-MBP-mEYFP recombinant substrate containing the predicted target sequence. Our results highlight both potentials and limitations of the tested algorithms. The identification of candidate host substrates of 3CLpro may help better develop an understanding of the molecular mechanisms behind the replication and pathogenesis of SARS-CoV-2. 相似文献
86.
Bo Zhong Jinze Zhang Hanqun Wang Long Xia Chunyu Wang Xiaodong Zhang Xiaoxiao Huang Guangwu Wen 《International Journal of Applied Ceramic Technology》2020,17(6):2598-2611
Novel SiC-based nanomaterials, namely the nitrogen and aluminum co-doped SiC@SiO2 core-shell nanowires and nitrogen-doped SiO2/Al2O3 nanoparticles, have been fabricated through a facile thermal treatment process based on the chemical vapor deposition and vapor-liquid reaction. These nanomaterials show remarkable hydrophobicity with a water contact angle (CA) over 140°, which are aroused by the surface zigzag morphology of the nanostructures and the hydrocarbyl groups generated during the preparation process. Moreover the nanocomposites also exhibit relatively prominent microwave absorption (MA) properties in the frequency range of 2.0-18.0 GHz. The minimum reflection loss (RL) value as low as −23.68 dB can be observed at 14.16 GHz when the absorber thickness is 2.6 mm with a loading rate of 16.7 wt%. And the nanocomposites-based absorbent can achieve an effective absorption bandwidth (RL < −10 dB) of 4.48 GHz with the absorbent thickness of 2.5 mm. This enhanced microwave attenuation performance can be attributed to multiple polarizations and perfect impedance matching conditions, as well as multiple internal reflections. These marvelous properties make these N and Al co-doped SiC@SiO2 core-shell nanowires and N-doped SiO2/Al2O3 nanoparticles display extensive application potential as MA materials in harsh environment. 相似文献
87.
László Lőrincz Máté Zsemberi György Bánsághi Tamás Sohajda Edit Székely 《化学工程与技术》2018,41(7):1466-1472
Chiral molecules, especially enantiomers and diastereomers of purity > 99 %, present a significant market share within the chemical, pharmaceutical, and flavor industries. Antisolvent precipitations, both batch and semicontinuous operations to serve the current trends in flow chemistry were demonstrated to be environmentally benign and efficient tools in achieving high optical purities. Although salts are known to be insoluble in supercritical CO2, instabilities of the nascent salts were detected and applied for increasing efficiency. Diastereomeric excess values of the crystalline products exceeded 99 % in maximum of three consecutive steps both by repeated resolution with half molar equivalent of the amine to the acid and by direct recrystallization of the salts. 相似文献
88.
以钙系生料釉为基础,引入结晶剂CuO、MnO2制备无铅CuO-MnO2系金属光泽釉;结合XRD、SEM-EDS进行物相组成定性分析和显微结构表征,系统探究外加TiO2、V2O5以及玻璃粉对金属光泽釉釉面分相的影响。研究表明:一定量的TiO2、V2O5引入能有效促进釉面的分相,将玻璃粉部分替换基础釉中的钾长石能使得釉熔体的高温粘度降低,并进一步加剧釉面分相,促进CuMn2O4铜锰尖晶石在釉层表面的析出和富集;当TiO2引入量为2%,V2O5引入量为1%,玻璃粉引入量为25%(同为质量分数)时,金属光泽釉釉面效果最佳。 相似文献
89.
Functional expression and synergistic cooperation of xylan‐degrading enzymes from Hypocrea orientalis and Aspergillus niger 下载免费PDF全文
90.
Ying Chen HuiLi Zhang YuNing Liang YanHua Gao Yongchao Li 《Petroleum Science and Technology》2019,37(7):787-795
In this study, a simple hydrothermal synthesis method was adapted for the preparation of Co-doping Co2+/F-/TiO2 nanotubes photocatalyst, and the micro-nano structure of catalysts prepared by biomimetic technology which makes the catalyst have super-oleophilicity property. Co2+/F-/TiO2 revealed improved photocatalytic performance for denitrification of light oil compared to single TiO2 photocatalysts. The enhance of photocatalytic activity can be attributed to narrowing the band gap, increasing the light response wavelength and exposing more highly active crystal surfaces due to synergistic effects of Co2+ and F? in the photocatalyst. 相似文献