Ternary Group VIII Hydrides: Ligand Field and Cation Orbital Effects in their Electronic Structures

The electronic structure and bonding of some recently discovered ternary hydrides with group VI11 metals are evaluated using tight-binding extended Hiickel band structure calculations. Various computational tools that include charge iteration of the transition metal orbital parameters, Mulliken population analyses, and second moment scaling methods were utilized to examine the bonding in Mg2RuH4 and MgpRuH3. Our results indicate that the unusual sawhorse geometry of the d8 RuH4 fragment in MgzRuH4 is preferred over a square planar configuration due to zeroth-order ligand field effects, oxidation state at the transition metal, and metal-metal bonding between adjacent fragments. In the extraordinary structure of Mg3RuH3, Mg valence orbitals are actively involved in chemical bonding and contribute to the stability of the unusual electron count at Ru

Shortcuts to adiabaticity in Fermi gases

Shortcuts to adiabaticity (STA) provide an alternative to adiabatic protocols to guide the dynamics of the system of interest without the requirement of slow driving. We report the controlled speedup via STA of the nonadiabatic dynamics of a Fermi gas, both in the non-interacting and strongly coupled, unitary regimes. Friction-free superadiabatic expansion strokes, with no residual excitations in the final state, are demonstrated in the unitary regime by engineering the modulation of the frequencies and aspect ratio of the harmonic trap. STA are also analyzed and implemented in the high-temperature regime, where the shear viscosity plays a pivotal role and the Fermi gas is described by viscous hydrodynamics.Comment: 12 pp, 6 figure

Association of One-Carbon Metabolism-Related Vitamins (Folate, B6, B12), Homocysteine and Methionine With the Risk of Lung Cancer: Systematic Review and Meta-Analysis

Background: Studies on serum one-carbon metabolism factors (folate, B6, B12, homocysteine, and methionine) with lung cancer (LC) risk have produced inconsistent results. We aimed to systematically evaluate the association between them.Methods: This study was reported in accordance with the PRISMA Statement and was registered with PROSPERO (no. CRD42018086654). Relevant studies were searched in PubMed, Embase, MEDLINE, and CNKI up to February 2018. Random-effects models were used to estimate the pooled standardized mean differences (SMD) or odds ratios (OR), as well as their 95% confidence interval (CI). Sensitivity and subgroup analysis were performed to identify the source of heterogeneity. Publication bias was also assessed.Results: A total of 14 articles (8,097 patients) were included. The concentration of serum folate and vitamin B6 of LC patients were lower than the controls [SMD −0.53, 95% CI (−0.70, −0.35), p = 0.001 and SMD −0.28, 95%CI (−0.53, −0.02), p = 0.001, respectively]. While the concentration of homocysteine of the cases was higher than the controls [SMD 0.41, 95% CI (0.24, 0.59), p = 0.001]. However, there were no significant differences between LC patients and the controls in terms of vitamin B12 and methionine [SMD −0.09, 95% CI (−0.27, 0.09), p = 0.202 and SMD −0.13, 95% CI (−0.36, 0.10), p = 0.001]. Subgroup analysis showed that these results were more significant in Europe, Asia, former and current smokers, and the male population (p-value < 0.05).Conclusions: Serum folate and vitamin B6 might be protective factors against lung carcinogenesis and homocysteine could contribute to LC risk

Assembling convolution neural networks for automatic viewing transformation

Images taken under different camera poses are rotated or distorted, which leads to poor perception experiences. This paper proposes a new framework to automatically transform the images to the conformable view setting by assembling different convolution neural networks. Specifically, a referential 3D ground plane is firstly derived from the RGB image and a novel projection mapping algorithm is developed to achieve automatic viewing transformation. Extensive experimental results demonstrate that the proposed method outperforms the state-ofthe-art vanishing points based methods by a large margin in terms of accuracy and robustness

Study on the effects of granularity of paprika on physicochemical properties and volatile flavor compounds of chili oil

Objective: This study aimed to investigate the effects of granularity of paprika on the physical and chemical properties and volatile flavor compounds of chili oil. Methods: Chili oil samples（KLD2-KLD5）were prepared from mechanically crushed paprika with different granularity （35, 30, 26, 20 mesh）, and the content of capsaicinoids, chromatic aberration value, and peroxide value of oil samples were determined by high performance liquid chromatography（HPLC）, colorimeter and other methods. The types and contents of volatile flavor compounds were detected and analyzed by gas chromatography-ion mobility spectrometry （GC-IMS） combined with principal component analysis （PCA）, partial least squares discriminant analysis （PLS-DA）, and heat map cluster analysis. In addition, a comparative analysis was performed with the traditional hand-milled chili oil sample （KLD1）. Results: In the KLD2-KLD5 chili oil samples prepared with mechanically crushed paprika, the concentration of capsaicin, dihydrocapsaicin and capsaicinoids, scoville heat units （SHU） and pungency degree decreased with the increase of the granularity of paprika. The peroxide value increases with the increase of the granularity, and the brightness L* increased first and then decreased with the decrease of the granularity, and there was a significant difference（P＜0.05） had been observed. A total of 58 volatile organic compounds （VOCs） were identified by GC-IMS, mainly including: alcohols, aldehydes, ketones, carboxylic acids, esters, heterocyclics and thioethers, with 10, 18, 12, 4, 7, 5 and 2 types respectively. GC-IMS fingerprints combined with the relative percentage of VOCs showed that the types of VOCs in KLD2-KLD5 samples were the same, but the contents were different. The types and content of VOCs in KLD1 were quite different from those in KLD2-KLD5. Fourteen key differential markers of 5 chili oils were screened by PLS-DA. The results of principal component analysis, nearest neighbor analysis, and heat map clustering analysis of VOCs in five kinds of chili oil samples were consistent with the results of GC-IMS fingerprints. These samples could be accurately distinguished and the flavor of KLD1 was the most unique. Conclusion: The granularity of paprika had a significant impact on the dissolution rate of capsaicin and dihydrocapsaicin in chili oil, peroxide value, and brightness L* （P＜0.05）, but has no effect on the types of volatile flavor compounds in chili oil. However, the content of volatile flavor compounds in each sample had a certain difference