The Chemistry of DPPH· Free Radical and Congeners

Since the discovery in 1922 of 2,2-diphenyl-1-(2,4,6-trinitrophenyl) hydrazyl stable free radical (DPPH^·), the chemistry of such open-shell compounds has developed continuously, allowing for both theoretical and practical advances in the free radical chemistry area. This review presents the important, general and modern aspects of the chemistry of hydrazyl free radicals and the science behind it.     

Breeding schemes with optimum-contribution selection or truncation selection for beef cattle destined for use on dairy females

We tested the hypothesis that the size of a beef cattle population destined for use on dairy females is smaller under optimum-contribution selection (OCS) than under truncation selection (TRS) at the same genetic gain (ΔG) and the same rate of inbreeding (ΔF). We used stochastic simulation to estimate true ΔG realized at a 0.005 ΔF in breeding schemes with OCS or TRS. The schemes for the beef cattle population also differed in the number of purebred offspring per dam and the total number of purebred offspring per generation. Dams of the next generation were exclusively selected among the one-year-old heifers. All dams were donors for embryo transfer and produced a maximum of 5 or 10 offspring. The total number of purebred offspring per generation was: 400, 800, 1,600 or 4,000 calves, and it was used as a measure of population size. Rate of inbreeding was predicted and controlled using pedigree relationships. Each OCS (TRS) scheme was simulated for 10 discrete generations and replicated 100 (200) times. The OCS scheme and the TRS scheme with a maximum of 10 offspring per dam required approximately 783 and 1,257 purebred offspring per generation to realize a true ΔG of €14 and a ΔF of 0.005 per generation. Schemes with a maximum of 5 offspring per dam required more purebred offspring per generation to realize a similar true ΔG and a similar ΔF. Our results show that OCS and multiple ovulation and embryo transfer act on selection intensity through different mechanisms to achieve fewer selection candidates and fewer selected sires and dams than under TRS at the same ΔG and a fixed ΔF. Therefore, we advocate the use of a breeding scheme with OCS and multiple ovulation and embryo transfer for beef cattle destined for use on dairy females because it is favorable both from an economic perspective and a carbon footprint perspective.     

Development of silica based organic slurries for stereolithographic printing process

In this study, silica based slurries for stereolithographic printing of glass structures are developed and characterized. Stereolithography has the potential to print complex structures with high resolution. Therefore, acrylate based photocurable slurries have been developed and their viscosities are examined as a function of the solid loading. A critical shear rate can be derived, which must not be exceeded during the printing process. Therefore, rheological characterizations provide important insights into the printing process and the ability to produce samples with precise structures. Other properties such as polymerization time and curability kinetic were investigated with time dependent attenuated total reflection infrared spectroscopy (ATR-IR). Afterwards, the slurries were printed on a commercial printer operating with visible light. For debinding the printed green bodies, the decomposition temperatures were derived from thermogravimetric analysis in order to obtain stable and transparent samples.     

A charge sharing–based switching scheme for SAR ADCs

This paper presents an energy-efficient switching scheme for successive approximation register (SAR) analogue-to-digital converter (ADC). The proposed scheme employs charge recycling method to keep the capacitor arrays free of transitional energy between bit generations except reset phase. In comparison with the conventional switching scheme, the proposed one achieves 100% transitional energy saving without considering reset phase. In addition, configuration of a 10-bit SAR ADC shows that the proposed switching scheme reduces the capacitor area by 25% compared with the conventional switching scheme.     

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li1.3Ta0.3Mn0.4O2 Cathode

Lithium‐rich disordered rock‐salt oxides have attracted great interest owing to their promising performance as Li‐ion battery cathodes. While experimental and theoretical efforts are critical in advancing this class of materials, a fundamental understanding of key property changes upon Li extraction is largely missing. In the present study, single‐crystal synthesis of a new disordered rock‐salt cathode material, Li_1.3Ta_0.3Mn_0.4O₂ (LTMO), and its use as a model compound to investigate Li concentration–driven evolution of local cationic ordering, charge compensation, and chemical distribution are reported. Through the combined use of 2D and 3D X‐ray nanotomography, it is shown that Li removal accompanied by oxygen oxidation is correlated with the development of morphological defects such as particle cracking. Chemical heterogeneity, quantified by subparticle level distribution of Mn valence state, is minimal during Mn redox, which drastically increases upon the formation of cracks during oxygen redox. Density functional theory and bond valence sum mismatch calculations reveal the presence of local short‐range ordering in the pristine oxide, which gradually disappears along with the extraction of Li. The study suggests that with cycling the transformation into true cation–disordered state can be expected, which likely impacts the voltage profile and obtainable energy density of the oxide cathodes.     

Milk from cows fed a diet with a high forage:concentrate ratio improves inflammatory state,oxidative stress,and mitochondrial function in rats

Excessive energy intake may evoke complex biochemical processes characterized by inflammation, oxidative stress, and impairment of mitochondrial function that represent the main factors underlying noncommunicable diseases. Because cow milk is widely used for human nutrition and in food industry processing, the nutritional quality of milk is of special interest with respect to human health. In our study, we analyzed milk produced by dairy cows fed a diet characterized by a high forage:concentrate ratio (high forage milk, HFM). In view of the low n-6:n-3 ratio and high content of conjugated linoleic acid of HFM, we studied the effects of this milk on lipid metabolism, inflammation, mitochondrial function, and oxidative stress in a rat model. To this end, we supplemented for 4 wk the diet of male Wistar rats with HFM and with an isocaloric amount (82 kJ, 22 mL/d) of milk obtained from cows fed a diet with low forage:concentrate ratio, and analyzed the metabolic parameters of the animals. Our results indicate that HFM may positively affect lipid metabolism, leptin:adiponectin ratio, inflammation, mitochondrial function, and oxidative stress, providing the first evidence of the beneficial effects of HFM on rat metabolism.     

Inferring kinetic dissolution of NaCl in aqueous glycol solution using a low-cost apparatus and population balance model

An experimental methodology for inferring brine dissolution rate in monoethylene glycol (MEG) solutions at different temperatures using a webcam combined with a mathematical model is presented. The measurement system is designed to track the RGB (red, green, and blue) colour variations during the dissolution process. A dynamic model augmented with the population balance equation is applied to describe the dissolution process. Moreover, the dissolution rate is consistently related to the temperature and MEG concentration through the driving force based on the Gibbs energy and chemical affinity. The applied low-cost measurement apparatus proved to be a useful resource for tracking the dissolution dynamics in a wide range of undersaturation.     

低剂量抑制剂Inhibex501存在下的甲烷水合物相平衡研究

含动力学抑制剂的天然气水合物相平衡研究对新型低剂量抑制剂的开发具有指导作用。在283.6 ~ 290.9 K和7.51 MPa ~ 15.97 MPa的温压范围内研究了抑制剂Inhibex501及其溶剂2-乙二醇单丁醚对甲烷水合物相平衡条件的影响。实验结果显示，0.5wt%和2.0wt%浓度的Inhibex501对甲烷水合物形成的热力学条件具有促进作用，能使甲烷水合物形成移向更高的温度或者更低的压力，而2-乙二醇单丁醚在浓度0.2wt% ~ 1.0wt%范围几乎不改变甲烷水合物形成的热力学条件，N-乙烯基己内酰胺与N-乙烯基吡咯烷酮的共聚物对水合物形成热力学条件的改变起主要作用。     

Reducing numerical dissipation in smoke simulation

Numerical dissipation acts as artificial viscosity to make smoke viscous. Reducing numerical dissipation is able to recover visual details smeared out by the numerical dissipation. Great efforts have been devoted to suppress the numerical dissipation in smoke simulation in the past few years. In this paper we investigate methods of combating the numerical dissipation. We describe visual consequences of the numerical dissipation and explore sources that introduce the numerical dissipation into course of smoke simulation. Methods are investigated from various aspects including grid variation, high-order advection, sub-grid compensation, invariant conservation, and particle-based improvement, followed by discussion and comparison in terms of visual quality, computational overhead, ease of implementation, adaptivity, and scalability, which leads to their different applicability to various application scenarios.     

Efficient Low Dissipative High Order Schemes for Multiscale MHD Flows, II: Minimization of ∇·B Numerical Error

An adaptive numerical dissipation control in a class of high order filter methods for compressible MHD equations is systematically discussed. The filter schemes consist of a divergence-free preserving high order spatial base scheme with a filter approach which can be divergence-free preserving depending on the type of filter operator being used, the method of applying the filter step, and the type of flow problem to be considered. Some of these filter variants provide a natural and efficient way for the minimization of the divergence of the magnetic field (∇·B) numerical error in the sense that commonly used divergence cleaning is not required. Numerical experiments presented emphasize the performance of the ∇·B numerical error. Many levels of grid refinement and detailed comparison of the filter methods with several commonly used compressible MHD shock-capturing schemes will be illustratedA condensed version appears in the Proceedings of the International Conference on High Performance Scientific Computing, March 10-14, 2003, Hanoi, Vietnam. This is a revised version of a longer internal report, Feb. 19, 2004. The longer internal report was published as a RIACS Technical Report TR03.10, July 2003, NASA Ames Research Center