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排序方式: 共有56条查询结果,搜索用时 21 毫秒
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Vladan Mlinar 《Annalen der Physik》2015,527(3-4):187-204
In the light of recent developments in computer technology, a promising and efficient way to design a material with a desired property would be to solve the inverse problem: use a physical property to predict structure. Here, we discuss the basic idea and mathematical foundation of the inverse approach, and proposed strategies for its utilization in the design of materials over nano‐ to macro‐scales. At the nano‐scale, analyzed strategies include scanning of a high‐dimensional space of chemical compounds for those compounds that have a targeted property, and identification of correlations in large databases of materials. However, unlike utilization of inverse approach at nano‐scale where full structural information ‐ atoms and their positions‐ is linked to targeted properties, at the meso‐ and macro‐scale, only partial structural information, manifested via structural motifs or representative volume elements, is available. We discuss the role of partial structural information in the inverse approach to the design of materials at those scales. Risks and limitations of the inverse approach are analyzed and dependence of the approach on factors such as structure parametrization, approximations in theoretical models, and feedback from structural characterization, is addressed.
3.
Admira Bilalic Tina Ticinovic Kurir Marko Kumric Josip A. Borovac Andrija Matetic Daniela Supe-Domic Josko Bozic 《Molecules (Basel, Switzerland)》2021,26(4)
Vascular calcification contributes to the pathogenesis of coronary artery disease while matrix Gla protein (MGP) was recently identified as a potent inhibitor of vascular calcification. MGP fractions, such as dephosphorylated-uncarboxylated MGP (dp-ucMGP), lack post-translational modifications and are less efficient in vascular calcification inhibition. We sought to compare dp-ucMGP levels between patients with acute coronary syndrome (ACS), stratified by ST-elevation myocardial infarction (STEMI) and non-ST-elevation myocardial infarction (NSTEMI) status. Physical examination and clinical data, along with plasma dp-ucMGP levels, were obtained from 90 consecutive ACS patients. We observed that levels of dp-ucMGP were significantly higher in patients with NSTEMI compared to STEMI patients (1063.4 ± 518.6 vs. 742.7 ± 166.6 pmol/L, p < 0.001). NSTEMI status and positive family history of cardiovascular diseases were only independent predictors of the highest tertile of dp-ucMGP levels. Among those with NSTEMI, patients at a high risk of in-hospital mortality (adjudicated by GRACE score) had significantly higher levels of dp-ucMGP compared to non-high-risk patients (1417.8 ± 956.8 vs. 984.6 ± 335.0 pmol/L, p = 0.030). Altogether, our findings suggest that higher dp-ucMGP levels likely reflect higher calcification burden in ACS patients and might aid in the identification of NSTEMI patients at increased risk of in-hospital mortality. Furthermore, observed dp-ucMGP levels might reflect differences in atherosclerotic plaque pathobiology between patients with STEMI and NSTEMI. 相似文献
4.
Di-2-pyridylketoxime is proposed for the spectrophotometric determination of iron(II). The complex is stable and exhibits an absorption maximum at 534 nm in an alkaline citrate medium. Beer's law is obeyed and the molar absorptivity is 1.5·103. Large amounts of copper and nickel can be tolerated. The method is simple, convenient and reproducible. 相似文献
5.
We investigate the stability of magnetically trapped atomic Bose-Einstein condensates and thermal clouds near the transition temperature at small distances 0.5 microm< or =d< or =10 microm from a microfabricated silicon chip. For a 2 microm thick copper film, the trap lifetime is limited by Johnson noise induced currents and falls below 1 s at a distance of 4 microm. A dielectric surface does not adversely affect the sample until the attractive Casimir-Polder potential significantly reduces the trap depth. 相似文献
6.
We report the observation of collective-emission-induced, velocity-dependent light forces. One-third of a falling sample containing 3 x 10(6) cesium atoms illuminated by a horizontal standing wave is stopped by cooperatively emitting light into a vertically oriented, confocal resonator. We observe decelerations up to 1500 m/s(2) and cooling to temperatures as low as 7 microK, well below the free-space Doppler limit. The measured forces substantially exceed those predicted for a single two-level atom. 相似文献
7.
Iglic A Kralj-Iglic V Bozic B Bobrowska-Hägerstrand M Isomaa B Hägerstrand H 《Bioelectrochemistry (Amsterdam, Netherlands)》2000,52(2):203-211
The shape of the newly described torocyte red blood cell endovesicles induced by octaethyleneglycol dodecylether (C12E8) is characterized. A possible explanation for the origin and stability of the observed torocyte endovesicles is suggested. Three partly complementary mechanisms are outlined, all originating from the interaction of C12E8 molecules with the membrane. The first is a preferential intercalation of the C12E8 molecule into the inner membrane layer, resulting in a membrane invagination which may finally close, forming an inside-out endovesicle. The second is a preference of the C12E8-induced membrane inclusions (clusters) for small local curvature which would favour torocyte endovesicle shape with large regions of small or even negative membrane mean curvatures, the C12E8 membrane inclusion being defined as a complex composed of the embedded C12E8 molecule and some adjacent phospholipid molecules which are significantly distorted due to the presence of the embedded C12E8 molecule. The preference of the C12E8 inclusions for zero or negative local curvature may also lead to the nonhomogeneous lateral distribution of the C12E8 inclusions resulting in their accumulation in the membrane of torocyte endovesicles. The third possible mechanism is orientational ordering of the C12E8-induced inclusions in the regions of torocyte endovesicles with high local membrane curvature deviator. 相似文献
8.
Vojislav Spasojevic Ana Mrakovic Marija Perovic Vladan Kusigerski Jovan Blanusa 《Journal of nanoparticle research》2011,13(2):763-771
Single-phase perovskite compound La0.7Ca0.3MnO3 was synthesised by a high-energy ball milling in a single step processing. Structure and morphology characterizations revealed
nanoparticle nature of this mixed valent manganite with the average particle diameter of 9 nm. Comprehensive set of magnetic
measurements showed that the system can be described as an ensemble of interacting magnetic nanoparticles where each particle
possesses high magnetic moment, i.e., superspin. Furthermore, magnetic behavior showed contributions from both superspin-glass
(SSG) and superparamagnetic (SP) states, and the prevailing properties depended on the experimental conditions. It was established
that SSG state dominated in low magnetic fields up to 500 Oe while in higher applied fields suppression of collective behavior
occurred and individual characteristics of nanoparticles prevailed. It was also concluded that the applied method of synthesis
produced system with high magnetic anisotropy as well as with the large nanoparticle shell whose thickness amounts 30% of
a particle diameter. 相似文献
9.
Vladan Čelebonović 《高压研究》2013,33(1-6):693-695
Abstract Using the mass and radius of Uranus, as determined by Voyager, and a particular semiclassical theory of dense matter, a model of its interior has been developed. Details of the model, the underlying theory and possible sources of discrepancies with recent work on this topic are briefly presented. 相似文献
10.
In this study, we considered the extended polar decomposition using a more general approach than the one provided by Boulanger and Hayes [Int. J. Non-Linear Mech. 36 (2001) 399–420]. We showed that the procedure of the decomposition could be simplified by considering its rotation tensor. Our method is illustrated by examples. 相似文献