The Effect of Alcohol and Carbonyl Functional Groups on the Competition between Unimolecular Decomposition and Isomerization in C4 and C5 Alkoxy Radicals

Presented here are computed rates for the thermal unimolecular decomposition of a variety of alkoxy radicals with four‐ and five‐carbon length backbones. Three classes of molecules are examined: alkoxy radicals with saturated hydrocarbon backbones, those with alcohol functional groups, and those with carbonyl functional groups. The chosen species represent many of those found during the combustion of fossil fuels as well as bio‐derived alternatives. Density functional theory calculations were benchmarked against higher level coupled cluster calculations and used to explore the potential energy surfaces of these systems. Transition state theory was used to calculate high‐pressure limit rate coefficients of all radical intermediates in the regimes relevant to atmospheric chemistry and combustion. We show that the assumption that alkoxy radicals quickly decompose via β‐scission to aldehydes and other radicals is not valid for some of the alkoxy radicals investigated in this work. We further illustrate how intra‐H migrations in larger alkoxy radicals with carbonyl and alcohol functional groups can dominate unimolecular decomposition under combustion and atmospheric relevant conditions. Finally, we discuss why carbonyl groups can increase or decrease intra‐H migration barriers depending on their location relative to the transferring H‐atom.     

Synthetic Strategies of Carbon Nanobelts and Related Belt-Shaped Polycyclic Aromatic Hydrocarbons

The development of carbon nanobelts and related belt-shaped polycyclic aromatic hydrocarbons has gained momentum in recent years. This Minireview focuses on the synthetic strategies used in constructing these aesthetically appealing molecular nanocarbons. Examples of carbon nanobelts and related belt-shaped polycyclic aromatic hydrocarbons reported in recent years as well as some representative synthetic attempts in earlier times are discussed.     

[2+2+1+1] Cycloaddition for de novo Synthesis of Densely Functionalized Phenols

A unique benzannulation strategy for regioselective de novo synthesis of densely functionalized phenols is described. Through metal-mediated formal [2+2+1+1] cycloaddition of two different alkynes and two molecules of CO, a series of densely functionalized phenols were obtained. The benzannulation strategy allows efficient regioselective installation up to five different substituents on a phenol ring. The resulting phenols have a substitution pattern different from those obtained from Dötz and Danheiser benzannulations.     

Nonlinear static and dynamic analysis for laminated,annular, spherical caps of moderate thickness

Based on Timoshenko-Mindlin kinematic hypothesis, the shallow shell theory is extended to include the transverse shear deformation for the nonlinear axisymmetric dynamic analysis of the symmetric cross-ply shallow spherical shell. Using the orthogonal point collocation method and the Newmark scheme, an iterative solution is formulated. The numerical results for the nonlinear static and dynamic responses and dynamic buckling of these shallow spherical shells with circular holes under uniformly distributed static or dynamic normal impact loads are presented and compared with available data.     

Trefftz法中的自锁现象及变量减缩法

用Trefftz型边界解法分析了中厚板弯曲问题,发现了一类新的、因Trefftz函数溢机引起的“自锁现象”,并提出了一种消除这类自锁问题的“变量减缩法”。     

Critical Heat Flux for Downward Facing Boiling on a Coated Hemispherical Surface

An experimental study was performed to investigate the effect of surface coating on the critical heat flux for downward facing boiling on the outer surface of a hemispherical vessel. Steady-state boiling experiments were conducted in the subscale boundary layer boiling (SBLB) facility using test vessels with metallic microporous coatings to obtain the local boiling curves and the local critical heat flux (CHF) limits. Similar heat transfer performance was observed for microporous aluminum and microporous copper coatings. When compared to the corresponding data without coatings, the boiling curves for the coated vessels were found to shift upward and to the right. This meant that the CHF limit was higher with surface coating and that the minimum film boiling temperatures were located at higher wall superheats. In particular, the microporous coatings were found to enhance the local CHF values appreciably at all angular locations explored in the experiments. Results of the present study showed that the microporous aluminum coating was very durable. Even after many cycles of steady state boiling, the vessel coating remained rather intact, with no apparent changes in color or structure. Although similar heat transfer performance was observed for microporous copper coatings, the latter were found to be much less durable and tended to degrade after several cycles of boiling.     

Liquid crystal mixtures for potential infrared applications

Liquid crystals (LCs) with diazo linkages have high dielectric and optical anisotropy. Two newly synthesized liquid crystalline compounds were dissolved in room temperature LC hosts, E7 and PTTP-24/36, to assess their properties. It was found that these mixtures have higher birefringence, larger dielectric anisotropy, and better elastic properties than the hosts. Satisfactory viscoelastic coefficients were also obtained for these mixtures, showing that they are promising LC materials for applications in the near IR region.     

Bioprinting of Collagen: Considerations,Potentials, and Applications

Collagen is the most abundant extracellular matrix protein that is widely used in tissue engineering (TE). There is little research done on printing pure collagen. To understand the bottlenecks in printing pure collagen, it is imperative to understand collagen from a bottom‐up approach. Here it is aimed to provide a comprehensive overview of collagen printing, where collagen assembly in vivo and the various sources of collagen available for TE application are first understood. Next, the current printing technologies and strategy for printing collagen‐based materials are highlighted. Considerations and key challenges faced in collagen printing are identified. Finally, the key research areas that would enhance the functionality of printed collagen are presented.     

The mixed conformable partial derivatives

Periodica Mathematica Hungarica - In this paper we introduce a new conformable derivative call it mixed conformable partial derivative, which obeys classical properties, including linearity,...