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41.
Activity-directed synthesis (ADS) is a structure-blind, functional-driven molecular discovery approach. In this Concept, four case studies highlight the general applicability of ADS and showcase its flexibility to support different medicinal chemistry strategies. ADS deliberately harnesses reactions with multiple possible outcomes, and allows many chemotypes to be evaluated in parallel. Resources are focused on bioactive molecules, which emerge in tandem with associated synthetic routes. Some of the future challenges for ADS are highlighted, including the realisation of an autonomous molecular discovery platform. The prospects for ADS to become a mainstream lead generation approach are discussed. 相似文献
42.
Chen Tang Tiehu Li Yuhang Bai Junjie Gao Wenbo Yang Shasha Jiao Tingkai Zhao 《Ceramics International》2018,44(10):11812-11819
Recently, ceramic matrix composites reinforced by short carbon fibers (CFs) attracted increasing attentions. To further improve mechanical properties and oxidation resistances, CFs were subjected to oxidation and acidification followed by sol-gel dip-coating to deposit ZrO2 on their surfaces. ZrO2-Cf/SiC composites were fabricated by joint hot compression molding and sintering, compared to Cf/SiC and SiC prepared by the same method. Microstructural analyses indicated that ZrO2 coatings were successfully deposited on CF surfaces, formed strong bonding and interfaces between CF and the matrix. Meanwhile, CFs were found uniformly distributed in SiC matrix with random orientations. Flexural curves of ZrO2-Cf/SiC and Cf/SiC revealed the presence of “false plasticity” regions after sharp drops, which were quite different from brittle flexural behavior of SiC ceramic. Compression strength of the three samples showed step-up growth. ZrO2-Cf/SiC exhibited the highest value, indicating the introduction of CFs and ZrO2 coatings do have great influence on mechanical performances. After heat treatment, ZrO2-Cf/SiC exhibited better oxidation resistance than Cf/SiC, with weight loss ratios estimated to ??3.76% and ??6.43%, respectively. These improved properties indicated that ZrO2-Cf/SiC would be excellent alternatives to other existence materials under ultra-high temperature environments. 相似文献
43.
ABSTRACT The thermoplastic and low dielectric constants polyimides were introduced. The polyimides were prepared by pyromellitic dianhydride (PMDA) or 4,4?-(4,4?-Isopropylidenediphenoxy)diphthalic anhydride (BPADA) as anhydride monomer and 4,4?-oxydianiline (ODA) or 2,2-bis(4-(4-aminephenoxy)phenyl)propane (BAPP) as amine monomer. The polyimides were well characterized by FT-IR, thermogravimetric analysis, dynamic thermomechanical analysis, dielectric measurement, and tensile test. The dielectric constants were 2.32–2.95 compared with 3.10 of ODA-PMDA polyimide, while partly polyimides were thermoplastic. The results indicated anhydride monomers, containing lateral methyl groups, made polyimides become thermoplastic. The results of molecular simulations via Materials Studio also proved this conclusion. 相似文献
44.
Synergistic flame retardant effects of activated carbon and molybdenum oxide in poly(vinyl chloride)
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Mengjiao Zhang Weihong Wu Shaorui He Xue Wang Yunhong Jiao Hongqiang Qu Jianzhong Xu 《Polymer International》2018,67(4):445-452
The synergistic effects of activated carbon (AC) and molybdenum oxide (MoO3) in improving the flame retardancy of poly(vinyl chloride) (PVC) were investigated. The effects of AC, MoO3 and their mixture with a mass ratio of 1:1 on the flame retardancy and smoke suppression properties of PVC were studied using the limiting oxygen index and cone calorimeter tests. It was found that the flame retardancy of the relatively cheaper AC was slightly weaker than that of MoO3. In addition, the incorporation of AC and MoO3 greatly reduced the total heat release and improved smoke suppressant property of PVC composites. When the total content of AC and MoO3 was 10 phr, PVC/AC/MoO3 had the lowest peak heat release rate and peak smoke production rate values of 173.80 kW m?2 and 0.1472 m2 s?1, which represented reductions of 47.3 and 59.9%, respectively, compared with those of PVC. Furthermore, thermogravimetric analysis and gel content tests were used to analyze the flame retardant mechanism of AC and MoO3, with results showing that AC could promote early crosslinking in PVC. Char residue left after heating at 500 °C was analyzed using scanning electron microscopy and Raman spectroscopy, and the results showed that MoO3 produced the most compact char, with the smallest and most organized carbonaceous microstructures. © 2017 Society of Chemical Industry 相似文献
45.
Carbon supported bimetallic Ru‐Co catalysts for H2 production through NaBH4 and NH3BH3 hydrolysis
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This work investigates the effect of the addition of small amounts of Ru (0.5‐1 wt%) to carbon supported Co (10 wt%) catalysts towards both NaBH4 and NH3BH3 hydrolysis for H2 production. In the sodium borohydride hydrolysis, the activity of Ru‐Co/carbon catalysts was sensibly higher than the sum of the activities of corresponding monometallic samples, whereas for the ammonia borane hydrolysis, the positive effect of Ru‐Co systems with regard to catalytic activity was less evident. The performances of Ru‐Co bimetallic catalysts correlated with the occurrence of an interaction between Ru and Co species resulting in the formation of smaller ruthenium and cobalt oxide particles with a more homogeneous dispersion on the carbon support. It was proposed that Ru°, formed during the reduction step of the Ru‐Co catalysts, favors the H2 activation, thus enhancing the reduction degree of the cobalt precursor and the number of Co nucleation centers. A subsequent reduction of cobalt and ruthenium species also occurs in the hydride reaction medium, and therefore the state of the catalyst before the catalytic experiment determines the state of the active phase formed in situ. The different relative reactivity of the Ru and Co active species towards the two investigated reactions accounted for the different behavior towards NaBH4 and NH3BH3 hydrolysis. 相似文献
46.
Shengyue Gu Shouyang Zhang Fei Liu Wei Li 《Journal of the European Ceramic Society》2018,38(15):5082-5091
Y2Hf2O7 possesses low thermal conductivity and high melting point, which make it promising for a new anti-ablation material. For evaluating the thermal stability and the potential applications of Y2Hf2O7 on anti-ablation protection of C/C composites, Y2Hf2O7 ceramic powder was synthesized by solution combustion method and Y2Hf2O7 coating was prepared on the surface of SiC coated C/C composites using SAPS. Results shown that the coating exhibits good ablation resistance under the heat flux of 2.4?MW/m2 with the linear and mass ablation rates are 0.16?μm?s?1 and ?0.028?mg?s?1, respectively, after ablation for 40?s. With the prolonging of the ablation time, the increasing thermal stress causes the increase of cracks. Moreover, the chemical erosion from SiO2 and the physical volatilization of low temperature molten products aggravate failure of the Y2Hf2O7 coating. 相似文献
47.
48.
Isothermal nucleic-acid amplification methods such as Loop-Mediated isothermal AMPlification (LAMP) are increasingly appealing alternatives to PCR for use in portable diagnostic system due to the low cost, weight, and power requirements of the instrumentation. As such, interest in developing new probes and other functionality based on the LAMP reaction has been intense. Here, we report on the development of duplexed LAMP assays for pathogen detection using spectrally unique Assimilating Probes. As proof of principle, we used a reaction for Salmonella enterica as a model coupled with a reaction for λ-phage DNA as an internal control, as well as a duplexed assay to sub-type specific quarantine strains of the bacterial wilt pathogen Ralstonia solanacearum. Detection limits for bacterial DNA analyzed in individual reactions was less than 100 genomic equivalents in all cases, and increased by one to two orders of magnitude when reactions were coupled in duplexed formats. Even so, due to the more robust activity of newly available strand-displacing polymerases, the duplexed assays reported here were more powerful than analogous individual reactions reported only a few years ago, and represent a significant advance for incorporation of internal controls to validate assay results in the field. 相似文献
49.
Eight datasets of 1-h black carbon (BC) concentrations measured in Warsaw agglomeration (Poland), at urban background and sub-urban sites, and in Racibórz, a small town in Upper Silesia district (regional background site) were analyzed to evaluate BC levels, daily profiles and statistical distributions of concentrations in Central-Eastern European region. The observed mean levels ranged from 1483 ng m−3 in suburban site during summer to 3358 ng m−3 in regional background site in winter. Observed diurnal patterns were bimodal in the locations dominated by traffic emissions, but unimodal, with elevated evening peak in individually heated residential area. Three theoretical frequency distributions were applied to fit analyzed datasets separately. The lognormal distribution was the most appropriate to represent the middle-range values, while the high concentrations were satisfactorily predicted by the type I two-parameter exponential distribution which was used to estimate the return periods of extreme concentrations for winter months. 相似文献
50.
Steffen Vojacek Lukas Schulig Nathalie Wössner Norman Geist Prof. Dr. Walter Langel Prof. Dr. Manfred Jung Prof. Dr. Dennis Schade Prof. Dr. Andreas Link 《ChemMedChem》2019,14(8):853-864
Indoles are privileged structures in medicinal and bioorganic chemistry that are particularly well suited to serve as platforms for diversity. Among many other therapeutic areas, the indole scaffold has been used to design aromatic compounds useful to interfere with enzymes engaged in the regulation of substrate acylation status, such as sirtuins. However, the planarity of the indole ring is not necessarily optimal for all target enzymes, especially when functionalization with aromatic side chains is required. Replacement of flat scaffolds by nonplanar molecular cores dominated by sp3 hybridization is a common strategy to avoid the disadvantages associated with poor solubility and high promiscuity, while covering less-well-explored areas of chemical space. Thus, we synthesized fragment-like tetrahydroindoles suitable for fragment-based drug discovery as well as a well-characterized small library intended as multipurpose screening compounds. For proof of principle, these compounds were screened against sirtuins 1–3, enzymes known to be addressable by indoles. We found that 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxamides are potent and selective SIRT2 inhibitors. Compound 16 t displayed an IC50 value of 0.98 μm and could serve as exquisite starting point for hit-to-lead profiling. 相似文献