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1.
A detailed study of the geometry, aromatic character, electronic and magnetic properties for a series of positively charged N-doped polycyclic aromatic hydrocarbons (PAHs) was performed. Magnetic properties of the examined molecules were analyzed by means of the magnetically induced current density calculated using the diamagnetic-zero version of the continuous transformation of origin of current density (CTOCD-DZ) method. The comparative study of the local aromaticity of the studied molecules was performed using several different indices: energy effect (ef), harmonic oscillator model of aromaticity (HOMA) index, six centre delocalization index (SCI) and nucleus independent chemical shifts (NICS). The presence of N-atoms in the inner rings was found to cause a planarity distortion in the studied N-doped systems. The geometric changes and charged nature of the studied N-doped systems do not significantly influence the current density and the local aromaticity distribution in comparison with the corresponding parent benzenoid hydrocarbons. The present study demonstrates how quantum chemical calculations can be used for rational design of novel PAHs and for fine tuning of their properties. 相似文献
2.
Jingyi Kang Na Chang Feifei Wang Haixia Liu Xuemei Wang Xinzhen Du 《Journal of separation science》2022,45(6):1273-1281
A novel solid-phase microextraction coating of phosphorous-containing titanium oxide composite was developed using titanium fiber as a support and a titanium source by hydrothermal oxidation in a phosphoric acid solution containing hydrogen peroxide. The morphology of the fiber coatings was controlled by the conditions of the hydrothermal oxidation reaction. The oriented nanofiber coating was employed to extract several types of representative aromatic analytes. The experimental results demonstrated that the as-prepared fiber exhibited excellent extraction efficiency toward polycyclic aromatic hydrocarbons. Combined with high-performance liquid chromatography with ultraviolet detection, main extraction conditions were optimized, including pH, ionic strength, extraction temperature, stirring rate, extraction time and desorption time. The established method presented good linearity from 0.05 to 200 μg/L with limit of detection ranging from 0.012 to 0.126 μg/L. This convenient and green procedure was suitable for the selective extraction and determination of typical polycyclic aromatic hydrocarbons in environmental water samples. The relative recoveries of 85.8–112% were obtained for the determination of target polycyclic aromatic hydrocarbons in water samples spiked with 5.0 and 15.0 μg/L. Moreover, the as-prepared fiber showed at least 210 extraction/desorption cycles due to its high mechanical and chemical stability. 相似文献
3.
《Arabian Journal of Chemistry》2022,15(11):104262
This review critically evaluates the plastic accumulation challenges and their environmental (primarily) and human (secondarily) impacts. It also emphasizes on their degradation and fragmentation phenomena under marine conditions. In addition, it takes into account the leachability of the various chemical substances (additives) embedded in plastic products to improve their polymeric properties and extend their life. Regardless of their effectiveness in enhancing the polymeric function of plastic products, these additives can potentially contaminate air, soil, food, and water. Several findings have shown that, regardless of their types and sizes, plastics can be degraded and/or fragmented under marine conditions. Therefore, the estimation of fragmentation and degradation rates via a reliable developed model is required to better understand the marine environmental status. The main parameter, which is responsible for initiating the fragmentation of plastics, is sunlight/UV radiation. Yet, UV- radiation alone is not enough to fragment some plastic polymer types under marine conditions, additional factors are needed such as mechanical abrasion. It should be also mentioned that most current studies on plastic degradation and fragmentation centered on the primary stages of degradation. Thus, further studies are needed to better understand these phenomena and to identify their fate and environmental effects. 相似文献
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Javad Mashreghi Julian Ransford Thomas Ransford 《Journal of Functional Analysis》2018,274(11):3254-3262
We show that every linear functional on the Dirichlet space that is non-zero on nowhere-vanishing functions is necessarily a multiple of a point evaluation. Continuity of the functional is not assumed. As an application, we obtain a characterization of weighted composition operators on the Dirichlet space as being exactly those linear maps that send nowhere-vanishing functions to nowhere-vanishing functions.We also investigate possible extensions to weighted Dirichlet spaces with superharmonic weights. As part of our investigation, we are led to determine which of these spaces contain functions that map the unit disk onto the whole complex plane. 相似文献
7.
Diego Maldonado 《Journal of Differential Equations》2018,264(2):624-678
We prove a Harnack inequality for nonnegative strong solutions to degenerate and singular elliptic PDEs modeled after certain convex functions and in the presence of unbounded drifts. Our main theorem extends the Harnack inequality for the linearized Monge–Ampère equation due to Caffarelli and Gutiérrez and it is related, although under different hypotheses, to a recent work by N.Q. Le.Since our results are shown to apply to the convex functions with and their tensor sums, the degenerate elliptic operators that we can consider include subelliptic Grushin and Grushin-like operators as well as a recent example by A. Montanari of a nondivergence-form subelliptic operator arising from the geometric theory of several complex variables. In the light of these applications, it follows that the Monge–Ampère quasi-metric structure can be regarded as an alternative to the usual Carnot–Carathéodory metric in the study of certain subelliptic PDEs. 相似文献
8.
Miguel A. Alejo 《Journal of Differential Equations》2018,264(2):1192-1230
We show that breather solutions of the Gardner equation, a natural generalization of the KdV and mKdV equations, are stable. Through a variational approach, we characterize Gardner breathers as minimizers of a new Lyapunov functional and we study the associated spectral problem, through (i) the analysis of the spectrum of explicit linear systems (spectral stability), and controlling degenerated directions by using low regularity conservation laws. 相似文献
9.
纳米多孔双金属氧化物在镍钛合金纤维上的原位生长及其对多环芳烃的选择性固相微萃取 总被引:1,自引:0,他引:1
采用阳极氧化法在镍钛合金(NiTi)纤维上原位生长了双金属氧化物纳米孔(NiTiONPs)涂层,通过扫描电镜(SEM)和能谱(EDS)考察了电解质组成和电压对形貌的影响。将NiTiONPs涂层的NiTi纤维与高效液相色谱-紫外检测器联用,研究了4种典型芳香分析物的萃取性能。结果表明,富含TiO2的NiTiONPs涂层对多环芳烃(PAHs)具有良好的萃取效率,尤其对苯并[a]芘的萃取选择性优于市售聚二甲基硅氧烷纤维和聚丙烯酸酯纤维。在优化条件下,PAHs的线性范围为0.05~200μg/L,相关系数均大于0.999,检出限为0.012~0.134μg/L。对单支纤维日内和日间分析的相对标准偏差(RSDs)分别为4.0%~5.5%和6.0%~6.8%,使用分批组装的5支纤维分析的RSDs为6.4%~7.6%。实际水样分析的加标回收率为84.5%~111.5%。所制备NiTi纤维至少可重复使用250次以上,重现性好。 相似文献
10.
A double phase problem with a bounded Borel measure on the right hand side is studied. We prove an optimal pointwise gradient estimate for such a measure data problem via Riesz potentials of the measure under log-Dini continuity assumption on the modulating coefficients. As a consequence, we find an optimized regularity criterion. 相似文献