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排序方式: 共有1893条查询结果,搜索用时 15 毫秒
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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
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Chouping Luo Marek Klisinski 《International journal for numerical methods in engineering》2004,61(2):159-188
The present study is a continuation of our previous work with the aim to reduce problems caused by standard higher order elements in contact problems. The difficulties can be attributed to the inherent property of the Galerkin method which gives uneven distributions of nodal forces resulting in oscillating contact pressures. The proposed remedy is use of piece‐wise linear weight functions. The methods to establish stiffness and/or mass matrix for 8‐node quadrilateral element in 2D are presented, i.e. the condensing and direct procedures. The energy and nodal displacement error norms are also checked to establish the convergence ratio. Interpretation of calculated contact pressures is discussed. Two new 2D 8‐node quadrilateral elements, QUAD8C and QUAD8D, are derived and tested in many examples, which show their good performance in contact problems. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
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Marek Markowski Ireneusz Bialobrzewski Janusz Bowszys Stanislaw Suchecki 《Drying Technology》2007,25(9):1527-1536
A neural-deterministic simulation model applied for calculating distributions of temperatures and moisture content in a bed of wheat stored in a steel silo without aeration is presented in the article. The model consists of differential equations of heat and moisture transfer, initial and boundary conditions, and three artificial neural networks used during simulated ambient air conditions. Experiments and computer simulations were carried out in order to determine temperature fields in wheat grain stored in a steel silo for two months. The computer simulations were carried using MATLAB and FEMLAB software. The difference between measured and simulated temperature in grain near the silo wall at a height of 2.5 m from the bottom was less than 3.0°C. On the basis of the analysis performed it was concluded that the temperature distributions obtained with the model were consistent with the measured results obtained for grain stored in a steel silo without aeration. 相似文献
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Marek Gondzio 《Software》1987,17(3):215-226
Every microprocessor-based system needs powerful debugging tools. Debugging power strongly depends on a mechanism of control exchange between the debugger and an application program. Several implementation methods of such a mechanism are briefly described and compared in this paper. It is shown that conditional breakpoints facilitate a semantics-oriented approach to program debugging. Some debugging techniques derived from elementary control-exchange mechanisms are proposed. Most of the techniques discussed are implemented in the MD-86 debugger designed for the Intel 8086 microprocessor. The debugger itself is also briefly described. 相似文献
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Marek Pronobis 《Fuel》2006,85(4):474-480
The paper presents an attempt to evaluate the influence of biomass co-combustion on the fouling of boiler convection surfaces. In order to show the influence of co-firing biomass with bituminous coal on boiler efficiency, the calculations of pulverized fuel (PF) OP 140 steam generator have been carried out. Typical Upper Silesian coal with medium fouling inclination has been chosen as a basic fuel. Three kinds of biomass have been taken into consideration: straw, wood and dried sewage sludge. The results confirm that the properties of additional fuels cause deterioration of the boiler efficiency as well as the changes in boilers operational parameters (amount of water injected in attemperators, ash stream, hot air temperature). The biomass during cofiring in fact replaces the coal, but always the additional fuel consumption is higher than that of the substituted coal. Therefore, the actual decrease of coal consumption is smaller than the thermal fraction of the biomass. 相似文献
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Voting in Multi-Agent Systems 总被引:1,自引:0,他引:1