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1.
Radoslaw M. Kowalczyk Patrick J. Murphy Jamie Tibble-Howlings 《International journal of molecular sciences》2022,23(23)
An unusual residual dipolar coupling of methylene protons was recorded in NMR spectra because aromatic zephycandidine has preferential orientation at the external magnetic field. The observed splitting contains contribution from the dipole–dipole D-coupling and the anisotropic component of J-coupling. Absolute values of the anisotropy of magnetic susceptibility |Δχax| are larger for protic solvents because of the hydrogen-bonding compared to aprotic solvents for which polar and dispersion forces are more important. The energy barrier for the reorientation due to hydrogen-bonding is 1.22 kJ/mol in methanol-d4, 0.85 kJ/mol in ethanol-d6 and 0.87 kJ/mol in acetic acid-d6. In dimethyl sulfoxide-d6, 1.08 kJ/mol corresponds to the interaction of solvent lone pair electrons with π-electrons of zephycandidine. This energy barrier decreases for acetone-d6 which has smaller electric dipole moment. In acetonitrile-d3, there is no energy barrier which suggests solvent ordering around the solute due to the solvent-solvent interactions. The largest absolute values of the magnetic anisotropy are observed for aromatic benezene-d6 and tolune-d8 which have their own preferential orientation and enhance the order in the solution. The magnetic anisotropy of “isolated” zephycandidine, not hindered by intermolecular interaction could be estimated from the correlation between Δχax and cohesion energy density. 相似文献
2.
Radoslaw L. Michalowski 《Canadian Metallurgical Quarterly》2007,133(11):1432-1439
A method is presented for calculations of irreversible displacements of multiblock structures subjected to seismic excitation. Use is made of the kinematic approach of limit analysis. To make the analysis tractable a hodograph representing distribution of accelerations in the structure is introduced. Distinction is made between soils conforming to the associative and nonassociative flow rules, and the importance of this distinction is demonstrated. The yield acceleration calculated for slopes comprised of soils conforming to the nonassociative flow rule is lower than that for a soil with the same strength parameters, but its deformation governed by the associative flow rule. Consequently, the displacements predicted for the former are larger. An example of a slope is demonstrated, but the method presented is applicable to other structures, such as retaining walls and embankments. 相似文献
3.
The purpose of this paper is the analysis of strain-rate effect in dynamic stability of thin-walled orthotropic column of closed rectangular cross-section, subjected to in-plane pulse loading of finite duration. For the solution the first-order shear deformation theory displacement field is employed with the Green–Lagrange strain tensor application. The effect of strain rate sensitivity is included in the framework of the viscoplasticity constitutive Perzyna model for material behaviour under high strain rate loading. The numerical results are obtained with the finite element method application. In the performed analysis the strain-rate effect influence on the dynamic buckling load is examined as well as the initial imperfections of walls, pulse shape and the orthotropy ratio are considered. The results of dynamic criteria application are compared furthermore. 相似文献
4.
5.
Ewa Surmiak Katarzyna Magiera-Mularz Bogdan Musielak Damian Muszak Justyna Kocik-Krol Radoslaw Kitel Jacek Plewka Tad A. Holak Lukasz Skalniak 《International journal of molecular sciences》2021,22(21)
Targeting the programmed cell death protein 1/programmed cell death 1 ligand 1 (PD-1/PD-L1) interaction has become an established strategy for cancer immunotherapy. Although hundreds of small-molecule, peptide, and peptidomimetic inhibitors have been proposed in recent years, only a limited number of drug candidates show good PD-1/PD-L1 blocking activity in cell-based assays. In this article, we compare representative molecules from different classes in terms of their PD-1/PD-L1 dissociation capacity measured by HTRF and in vitro bioactivity determined by the immune checkpoint blockade (ICB) co-culture assay. We point to recent discoveries that underscore important differences in the mechanisms of action of these molecules and also indicate one principal feature that needs to be considered, which is the eventual human PD-L1 specificity. 相似文献
6.
Radiation crosslinking of carboxymethylcellulose (CMC) with a degree of substitution (DS) from 0.7 to 2.2 was the subject of the current investigation. CMC was irradiated in solid‐state and aqueous solutions at various irradiation doses. The DS and the concentration of the aqueous solution had a remarkable affect on the crosslinking of CMC. Irradiation of CMC, even with a high DS, 2.2 in solid state, and a low DS, 0.7 in 10% aqueous solution, resulted in degradation. However, it was found that irradiation of CMC with a relatively high DS, 1.32, led to crosslinking in a 5% aqueous solution, and 20% CMC gave the highest gel fraction. CMC with a DS of 2.2 induced higher crosslinking than that with a DS of 1.32 at lower doses with the same concentration. Hence, it was apparent that a high DS and a high concentration in an aqueous solution were favorable for high crosslinking of CMC. It is assumed that high radiation crosslinking of CMC was induced by the increased mobility of its molecules in water and by the formation of CMC radicals from the abstraction of H atoms from macromolecules in the intermediate products of water radiolysis. A preliminary biodegradation study confirmed that crosslinked CMC hydrogel can be digested by a cellulase enzyme. © 2000 John Wiley & Sons, Inc. J Appl Polym Sci 78: 278–283, 2000 相似文献
7.
For the first time in design optimization of microwave circuits, the aggressive space mapping (SM) optimization technique is applied to automatically align electromagnetic (EM) models based on hybrid mode‐matching/network theory simulations with models based on finite‐element (FEM) simulations. SM optimization of an H‐plane resonator filter with rounded corners illustrates the advantages as well as the challenges of the approach. The parameter extraction phase of SM is given special attention. The impact of selecting responses and error functions on the convergence and uniqueness of parameter extraction is discussed. A statistical approach to parameter extraction involving 𝓁1 and penalty concepts facilitates a key requirement by SM for uniqueness and consistency. A multipoint parameter extraction approach to sharpening the solution uniqueness and improving the SM convergence is also introduced. Once the mapping is established, the effects of manufacturing tolerances are rapidly estimated with the FEM accuracy. SM has also been successfully applied to optimize waveguide transformers using two hybrid mode‐matching/network theory models: a coarse model using very few modes and a fine model using many modes to represent discontinuities. ©1999 John Wiley & Sons, Inc. Int J RF and Microwave CAE 9: 54–70, 1999. 相似文献
8.
This paper presents the theoretical foundation of the geometry capture technique. Geometry capture facilitates user‐parameterization, through graphical means, of arbitrary 2D and 3D geometrical structures. This makes it possible to optimize the shape and dimensions of geometrical objects in an automated electromagnetic design process by adjusting the user‐defined parameters subject to explicit numerical bounds and implicit geometrical constraints. ©1999 John Wiley & Sons, Inc. Int J RF and Microwave CAE 9: 73–85, 1999 相似文献
9.
Power scaling of a fiber master oscillator power amplifier system using a coherent polarization beam combination 总被引:1,自引:0,他引:1
A new coherent polarization beam combination (CPBC) architecture was employed to combine four amplified beams and produce over 25 W of coherent output with 94% efficiency and nearly diffraction-limited beam quality. The individual beams were produced by a fiber master oscillator power amplifier system and their phases were controlled and locked using servo-controlled phase modulators. The CPBC approach relies on a coherent superposition of orthogonal polarization states and allows the combination of an arbitrary number of beams with arbitrary power ratios. 相似文献
10.
A stereocontrolled synthesis of a novel selenophene-based monomer namely (E,E)-1,4-dimethoxy-2,5-bis[2-(selenophen-2-yl)ethenyl]benzene has been successfully performed starting from 1,4-dimethoxybenzene. Its spectra, electrochemistry and polymerization have been studied. 相似文献