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排序方式: 共有721条查询结果,搜索用时 31 毫秒
1.
Cover Picture: A new topological insulator built from quasi one‐dimensional atomic ribbons (Phys. Status Solidi RRL 2/2015) 下载免费PDF全文
2.
Terence Zhi Xiang Hong Liming You Madhavi Dahanayaka Adrian Wing-Keung Law Kun Zhou 《Molecules (Basel, Switzerland)》2021,26(11)
In this study, molecular dynamics simulation is used to investigate the effects of water-based substitutional defects in zeolitic imidazolate frameworks (ZIF)-8 membranes on their reverse osmosis (RO) desalination performance. ZIF-8 unit cells containing up to three defect sites are used to construct the membranes. These substitutional defects can either be Zn defects or linker defects. The RO desalination performance of the membranes is assessed in terms of the water flux and ion rejection rate. The effects of defects on the interactions between the ZIF-8 membranes and NaCl are investigated and explained with respect to the radial distribution function (RDF) and ion density distribution. The results show that ion adsorption on the membranes occurs at either the nitrogen atoms or the defect sites. Complete NaCl rejection can be achieved by introducing defects to change the size of the pores. It has also been discovered that the presence of linker defects increases membrane hydrophilicity. Overall, molecular dynamics simulations have been used in this study to show that water-based substitutional defects in a ZIF-8 structure reduce the water flux and influence its hydrophilicity and ion adsorption performance, which is useful in predicting the type and number of defect sites per unit cell required for RO applications. Of the seven ZIF-8 structures tested, pristine ZIF-8 exhibits the best RO desalination performance. 相似文献
3.
Although ischemic heart disease tends to cluster in families, previous studies have reported a modest (2-fold increased risk) to strong (10-fold increased risk) contribution of family history to the explanation of disease occurrence. The authors assessed the familial aggregation of early-onset myocardial infarction in 11,307 adults aged <65 years who participated in the Third National Health and Nutrition Examination Survey. Logistic regression was used to obtain odds ratios (ORs) and 95% confidence intervals (CIs). A parental history was more common in those with (n = 237) than in those without (n = 11,070) a myocardial infarction (19.8 vs. 7.9%, p < or = 0.01). Adults with a parental history were also more likely to have multiple risk factors for cardiovascular disease (OR for four or five risk factors compared with none: 2.9, 95% CI: 1.4, 6.3). After multivariate adjustment, the likelihood of myocardial infarction was more than three times greater among adults with a parental history than among those without (95% CI: 1.7, 6.7). A maternal history of myocardial infarction was strongly associated (OR = 6.1, 95% CI: 2.1, 17.4) with an increased likelihood of myocardial infarction, and a paternal history was associated with a 3-fold (95% CI: 1.5, 6.3) increased likelihood of myocardial infarction after adjustment for cardiovascular disease risk factors. These results suggest a familial aggregation of early-onset myocardial infarction and show that family history is strongly associated with cardiovascular disease risk factors. 相似文献
4.
Well‐posedness and approximation of solutions of linear divergence‐form elliptic problems on exterior regions 下载免费PDF全文
This paper describes well‐posedness, spectral representations, and approximations of solutions of uniformly elliptic, second‐order, divergence form elliptic boundary value problems on exterior regions U in when N ≥ 3. Inhomogeneous Dirichlet, Neumann, and Robin boundary conditions are treated. These problems are first shown to be well‐posed in the space E1(U) of finite‐energy functions on U using variational methods. Spectral representations of these solutions involving Steklov eigenfunctions and solutions subject to zero Dirichlet boundary conditions are described. Some approximation results for the A‐harmonic components are obtained. Positivity and comparison results for these solutions are given. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
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Terence Tao 《偏微分方程通讯》2013,38(7-8):1471-1485
The endpoint Strichartz estimates for the Schrödinger equation is known to be false in two dimensions[7]. However, if one averages the solution in L2 in the angular variable, we show that the homogeneous endpoint and the retarded halfendoint estimates hold, but the full retarded endpoint fails. In particular, the original verisions of these estimates hold for radial data 相似文献
8.
Giles Auchmuty 《Numerical Functional Analysis & Optimization》2013,34(3-4):211-264
This paper describes, and analyzes, a method of successive approximations for finding critical points of a function which can be written as the difference of two convex functions. The method is based on using a non-convex duality theory. At each iteration one solves a convex, optimization problem. This alternates between the primal and the dual variables. Under very general structural conditions on the problem, we prove that the resulting sequence is a descent sequence, which converges to a critical point of the problem. To illustrate the method, it is applied to some weighted eigenvalue problems, to a problem from astrophysics, and to some semilinear elliptic equations. 相似文献
9.
Sadayuki Mori Tetsuya Karita Koichi Komatsu Nobuyuki Sugita Terence S. M. Wan 《合成通讯》2013,43(9):1475-1482
Under high pressure conditions, fullerene C60 smoothly reacts with 2H-pyran-2-one to give a [4+2] cycloadduct, which can be reduced to an alcohol derivative. 相似文献
10.
Andrew S. Bell Joseph Bradley Jeremy R. Everett Michelle Knight Jens Loesel John Mathias David McLoughlin James Mills Robert E. Sharp Christine Williams Terence P. Wood 《Molecular diversity》2013,17(2):319-335
The screening files of many large companies, including Pfizer, have grown considerably due to internal chemistry efforts, company mergers and acquisitions, external contracted synthesis, or compound purchase schemes. In order to screen the targets of interest in a cost-effective fashion, we devised an easy-to-assemble, plate-based diversity subset (PBDS) that represents almost the entire computed chemical space of the screening file whilst comprising only a fraction of the plates in the collection. In order to create this file, we developed new design principles for the quality assessment of screening plates: the Rule of 40 (Ro40) and a plate selection process that insured excellent coverage of both library chemistry and legacy chemistry space. This paper describes the rationale, design, construction, and performance of the PBDS, that has evolved into the standard paradigm for singleton (one compound per well) high-throughput screening in Pfizer since its introduction in 2006. 相似文献