Modifying LnHPDO3A Chelates for Improved T1 and CEST MRI Applications

The new ligand HPDO3MA [(R,R,R,R)-10-(2-hydroxypropyl)-α,α′,α′′-trimethyl-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid] was designed to combine and optimize the chemical properties of the macrocyclic ligands HPDO3A and DOTMA. The presence of the methyl groups on the acetic pendant arms of HPDO3A is expected to rigidify the structure of the ligand and favor an increase of the kinetic inertness of the Ln complexes. ¹H NMR spectra of Eu(HPDO3MA) displayed the presence of two pairs of diastereoisomers: SAP (square antiprismatic) and TSAP (twisted square antiprismatic) isomers (56 and 44 %, respectively). In addition, ¹H and ¹⁷O relaxometric NMR studies of Gd(HPDO3MA) showed approximately a 10 % increase in relaxivity and a faster water exchange rate with respect to Gd(HPDO3A). Moreover, a detailed chemical exchange saturation transfer (CEST) characterization of Yb(HPDO3MA) displayed a sensitivity about two times larger than that of Yb(HPDO3A) both in phantom and in cell labeling experiments. Finally, the kinetic inertness of Yb(HPDO3MA) was measured to be twice as high as that of Yb(HPDO3A), with a dissociation half-life at physiological pH of about 2500 years.     

Growth characteristics of spherical titanium oxide nanoparticles during the rapid gaseous detonation reaction

The nanosize grain growth characteristics of spherical single-crystal titanium oxide (TiO₂) during the rapid gaseous detonation reaction are discussed. Based on the experimental conditions and the Chapman–Jouguet theory, the Kruis model was introduced to simulate the growth characteristics of spherical TiO₂ nanoparticles obtained under high pressure, high temperature and by rapid reaction. The results show that the numerical analysis can satisfactorily predict the growth characteristics of spherical TiO₂ nanoparticles with diameters of 15–300 nm at different affecting factors, such as concentration of particles, reaction temperature and time, which are in agreement with the obtained experimental results. We found that the increase of the gas-phase reaction temperature, time, and particle concentration affects the growth tendency of spherical nanocrystal TiO₂, which provides effective theoretical support for the controllable synthesis of multi-scale nanoparticles.     

Importance of verifying queue model assumptions before planning with simulation software

This case study uses empirical data gathered at an Australian refinery to verify the assumptions for queue distributions before using special-purpose software to plan the off-road-truck hauling of titanium dioxide to a refinery (n = 773). Easy-to-use spreadsheet software is utilized to verify assumptions for queue models. Managers are able to make decisions based on economic implications of queue models to avoid making costly planning mistakes. Analysts can use nonparametric hypothesis-testing techniques to verify distribution assumptions for optimization without having to write hard-to-maintain and complex algebraic linear equations or nonlinear search routines.     

Temperature dependence of GaSb and AlGaSb solar cells

Sb-based alloys offer great potential for photovoltaic and thermophotovoltaic applications. In this paper, we study the performance of Al_xGa_1-xSb (x = 0, 0.15, and 0.50) single-junction solar cells over a temperature range of 25–250 °C. The dark current-voltage, one-sun current-voltage, and external quantum efficiency measurements were acquired at different temperatures. Correlations between experimental and numerical results are made to draw conclusions about the thermal behavior of the cells. It is shown that, while the bandgaps decrease linearly with temperature leading to the reduction of open-circuit voltages, the short-circuit current densities decrease with non-linear trends. The temperature-dependent dark current densities were extracted by fitting the dark current-voltage curves to single- and double-diode models to give an insight into the effect of intrinsic carrier concentration (n_i) on the cell performance. We find that the n_i has a significant impact on temperature-dependent cell performance. These findings could lay a groundwork for the future Sb-based photovoltaic systems that operate at high temperatures.     

Experimental study and numerical modeling of brittle fracture of carbonate rock under uniaxial compression

The brittle carbonate rock taken from the Tarim Oilfield is tested in laboratory under uniaxial compression. The acoustic emission (AE) is used to monitor the microcracking activity in rock during the experiment. Moreover, the 3D tomograms of carbonate rock after uniaxial compression are obtained by using CT imaging technology, which indicates that microcracks mutually interconnect and eventually form macroscopic fractures after failure. The PFC2D is used to model the behavior of brittle rock including microcracks propagation. The stress–strain curve and cracks distribution in rock model are obtained from the PFC simulation. The numerical results agree with the experimental test well.     

蒙特卡罗计算中颗粒型燃料的随机分布模型比较

高温气冷堆是新一代反应堆系统的热门候选堆型，已经受到国际上越来越多的关注。为设计和分析这种堆型，因其特有的包覆颗粒燃料引入了双重非均匀性，需要应用随机分布模型。对粗网格模型、细网格随机(FLS)模型、随机顺序添加(RSA)模型、子网格随机(Sub-FLS)模型和Metropolis模型等进行了研究，通过计算分析比较给出了各种模型的优缺点。结果表明:子网格随机模型和连续的RSA模型非常接近参考值，但是连续RSA模型的建模时间随着燃料体积份额的增加连续快速上升。 Key words: coated particle fuels; stochastic transport model; Monte Carlo; random distribution     

Effect of gap and flow orientation on two-phase flow in an oil-wet gap: Relative permeability curves and flow structures

Naturally fractured reservoirs contain about 25–30% of the world supply of oil. In these reservoirs, fractures are the dominant flow path. Therefore, a good understanding of transfer parameters such as relative permeability as well as flow regimes occurring in a fracture plays an important role in developing and improving oil production from such complex systems. However, in contrast with gas–liquid flow in a single fracture, the flow of heavy oil and water has received less attention. In this research, a Hele-Shaw apparatus was built to study the flow of water in presence of heavy oil and display different flow patterns under different flow rates and analyze the effect of fracture orientations on relative permeability curves as well as flow regimes. The phase flow rates versus phase saturation results were converted to experimental relative permeability curves. The results of the experiments demonstrate that, depending on fracture and flow orientation, there could be a significant interference between the phases flowing through the fracture. The results also reveal that both phases can flow in both continuous and discontinuous forms. The relative permeability curves show that the oil–water relative permeability not only depends on fluid saturations and flow patterns but also fracture orientation.     

Equivalent nonlinear beam model for the 3-D analysis of shear-type buildings: Application to aeroelastic instability

Tower buildings can be very sensitive to dynamic actions and their dynamic analysis is usually carried out numerically through sophisticated finite element models. In this paper, an equivalent nonlinear one-dimensional shear–shear–torsional beam model immersed in a three-dimensional space is introduced to reproduce, in an approximate way, the dynamic behavior of tower buildings. It represents an extension of a linear beam model recently introduced by the authors, accounting for nonlinearities generated by the stretching of the columns. The constitutive law of the beam is identified from a discrete model of a 3D-frame, via a homogenization process, which accounts for the rotation of the floors around the tower axis. The macroscopic shear strain in the equivalent beam is produced by the bending of columns, accompanied by negligible rotation of the floors. A coupled nonlinear shear–torsional mechanical model is thus obtained. The coupling between shear and torsion is related to a non-symmetric layout of the columns, while mechanical nonlinearities are proportional to the slenderness of the columns. The model can be used for the analysis of the response of tower buildings to any kind of dynamic and static excitation. A first application is here presented to investigate the effect of mechanical and aerodynamic coupling on the critical galloping conditions and on the postcritical behavior of tower buildings, based on a quasi-steady model of aerodynamic forces.     

运用CAFP教学提升学生化学意志素质的教学案例

鉴于当前学生化学意志素质缺乏的问题，探讨以认知、情绪唤醒、情感、意志为主控目标，在预习、尝试学习、交错搭配合作学习中，开展CAFP教学研究，以促成情意因素对认知的调动、动力、强化等功能。