钙钛矿型过渡金属氧化物界面二维电子态的研究进展

钙钛矿结构氧化物界面因其独特的强关联性质引起研究者的广泛关注。首先以SrTiO3/LaAlO3体系为例介绍了氧化物界面二维电子态独特的强关联性质,以及形成二维电子态的两种物理机制——"极化灾难"与氧缺陷理论;然后综述了SrTiO3/LaAlO3体系界面密度泛函理论计算的研究现状,包括3种计算模型的构建、界面处的能带偏移与电子分布、界面附近的离子弛豫及其对电子结构的影响等;最后简要介绍了其他钙钛矿结构氧化物界面体系,并展望了其发展前景。     

Nanogeometry matters: unexpected decrease of capillary adhesion forces with increasing relative humidity

The sticking effect between hydrophilic surfaces occurring at increasing relative humidity (RH) is an everyday phenomenon with uncountable implications. Here experimental evidence is presented for a counterintuitive monotonous decrease of the capillary adhesion forces between hydrophilic surfaces with increasing RH for the whole humidity range. It is shown that this unexpected result is related to the actual shape of the asperity at the nanometer scale: a model based on macroscopic thermodynamics predicts this decrease in the adhesion force for a sharp object ending in an almost flat nanometer-sized apex, in full agreement with experiments. This anomalous decrease is due to the fact that a significant growth of the liquid meniscus formed at the contact region with increasing humidity is hindered for this geometry. These results are relevant in the analysis of the dynamical behavior of nanomenisci. They could also have an outstanding value in technological applications, since the undesirable sticking effect between surfaces occurring at increasing RH could be avoided by controlling the shape of the surface asperities at the nanometric scale.     

Convergence speed in multi‐objective metaheuristics: Efficiency criteria and empirical study

Solving optimization problems using a reduced number of objective function evaluations is an open issue in the design of multi‐objective optimization metaheuristics. The usual approach to analyze the behavior of such techniques is to choose a benchmark of known problems, to perform a predetermined number of function evaluations, and then, apply a set of performance indicators in order to assess the quality of the solutions obtained. However, this sort of methodology does not provide any insights of the efficiency of each algorithm. Here, efficiency is defined as the effort required by a multi‐objective metaheuristic to obtain a set of non‐dominated solutions that is satisfactory to the user, according to some pre‐defined criterion. Indeed, the type of solutions of interest to the user may vary depending on the specific characteristics of the problem being solved. In this paper, the convergence speed of seven state‐of‐the‐art multi‐objective metaheuristics is analyzed, according to three pre‐defined efficiency criteria. Our empirical study shows that SMPSO (based on a particle swarm optimizer) is found to be the best overall algorithm on the test problems adopted when considering the three efficiency criteria. Copyright © 2010 John Wiley & Sons, Ltd.     

Optical bistability of surface plasmon polaritons in nonlinear Kretschmann configuration

Optical bistability based on surface plasmon polaritons in the Kretschmann configuration involving a Kerr nonlinear medium is described by analytical solutions. The conditions of forming the optical bistability with different parameters are explored. The resonant angle of surface plasmon polaritons varying with the incident light intensity also generates the phenomenon of bistability. The system could form optical bistability with the special thickness of the metal film and incident angle. This kind of system has potential application in all-optical networks.     

Novel Acyl Phosphate Mimics that Target PlsY,an Essential Acyltransferase in Gram‐Positive Bacteria

PlsY is a recently discovered acyltransferase that executes an essential step in membrane phospholipid biosynthesis in Gram‐ positive bacteria. By using a bioisosteric replacement approach to generate substrate‐based inhibitors of PlsY as potential novel antibacterial agents, a series of stabilized acyl phosphate mimetics, including acyl phosphonates, acyl α,α‐difluoromethyl phosphonates, acyl phosphoramides, reverse amide phosphonates, acyl sulfamates, and acyl sulfamides were designed and synthesized. Several acyl phosphonates, phosphoramides, and sulfamates were identified as inhibitors of PlsY from Streptococcus pneumoniae and Bacillus anthracis. As anticipated, these inhibitors were competitive inhibitors with respect to the acyl phosphate substrate. Antimicrobial testing showed the inhibitors to have generally weak activity against Gram‐positive bacteria with the exception of some acyl phosphonates, reverse amide phosphonates, and acyl sulfamates, which had potent activity against multiple strains of B. anthracis.     

Influence of the co-firing on the leaching of trace pollutants from coal fly ash

The (co)-firing of low-cost alternative fuels is expected to increase in the forthcoming years in the EU because of the economic and environmental benefits provided by this technology. This study deals with the impact of the different coal/waste fuel ratio of the feed blend on the mineralogy, the chemical composition and especially on the leaching properties of fly ash. Different blends of coal, petroleum coke, sewage sludge, wood pellets, coal tailings and other minor biomass fuels were tested in PCC (pulverised coal combustion) and FBC (fluidized bed combustion) power plants. The co-firing of the studied blends did not drastically modify the mineralogy, bulk composition or the overall leaching of the fly ash obtained. This suggests that the co-firing process using the alternative fuels studied does not entail significant limitations in the re-use or management strategies of fly ash.     

New biofuel integrating glycerol into its composition through the use of covalent immobilized pig pancreatic lipase

By using 1,3-specific Pig Pancreatic lipase (EC 3.1.1.3 or PPL), covalently immobilized on AlPO(4)/Sepiolite support as biocatalyst, a new second-generation biodiesel was obtained in the transesterification reaction of sunflower oil with ethanol and other alcohols of low molecular weight. The resulting biofuel is composed of fatty acid ethyl esters and monoglycerides (FAEE/MG) blended in a molar relation 2/1. This novel product, which integrates glycerol as monoacylglycerols (MG) into the biofuel composition, has similar physicochemical properties compared to those of conventional biodiesel and also avoids the removal step of this by-product. The biocatalyst was found to be strongly fixed to the inorganic support (75%). Nevertheless, the efficiency of the immobilized enzyme was reduced to half (49.1%) compared to that of the free PPL. The immobilized enzyme showed a remarkable stability as well as a great reusability (more than 40 successive reuses) without a significant loss of its initial catalytic activity. Immobilized and free enzymes exhibited different reaction mechanisms, according to the different results in the Arrhenius parameters (Ln A and Ea). However, the use of supported PPL was found to be very suitable for the repetitive production of biofuel due to its facile recyclability from the reaction mixture.     

Nutrient content,in vitro ruminal fermentation characteristics and methane reduction potential of tropical tannin‐containing leaves

BACKGROUND: Plant tannins as rumen modifiers are better than chemicals or antibiotic‐based modifiers since these compounds are natural products which are environmentally friendly and therefore have a better acceptance with regard to feed safety issues. Tropical plants containing phenols such as tannins were found to suppress or eliminate protozoa from the rumen and reduce methane and ammonia production. The screening of these plants is an important step in the identification of new compounds and feed additives which might contribute to mitigate rumen methanogenesis. The present study was carried out to determine the efficacy of tannins from tropical tree leaves for their methane reduction properties. RESULTS: Activity of tannins, as represented by the increase in gas volume with the addition of polyethylene glycol (PEG)‐6000 as a tannin binder (tannin bioassay) was highest in Ficus bengalensis (555%), followed by Azardirachta indica (78.5%). PEG addition did not alter (P > 0.05) methane percentage in Ficus racemosa, Glyricidia maculata, Leucena leucocephala, Morus alba and Semaroba glauca, confirming that tannins in these samples did not affect methanogenesis. The increase (P < 0.05) in protozoa population with PEG was maximal in Ficus religiosa (50), followed by Moringa oleifera (31.2), Azardirachta indica (29.9) and Semaroba glauca (27.5). There was no change (P > 0.05) in the protozoa population in Autocarpus integrifolia, Ficus bengalensis, Jatropha curcus, Morus alba and Sesbania grandiflora, demonstrating that methane reduction observed in these samples per se was not due to defaunation effect of the tannin. The increase in total volatile fatty acid concentration in samples with PEG ranged from 0.6% to > 70%. The highest increase (%) in NH₃‐N was recorded in Azardirachta indica (67.4), followed by Ficus mysoriensis (35.7) and Semaroba glauca (32.6) leaves, reflecting strong protein binding properties of tannin. CONCLUSION: The results of our study established that in vitro methanogenesis was not essentially related to the density of protozoa population. Tropical tree leaves containing tannins such as Autocarpus integrifolia, Jatropha curcus and Sesbania grandiflora have the potential to suppress methanogenesis. Therefore tannins contained in these plants could be of interest in the development of new additives in ruminant nutrition. Copyright © 2012 Society of Chemical Industry     

Assessing the forms and functions of aggression using self-report: Factor structure and invariance of the Peer Conflict Scale in youths.

This study examined the structure of a self-report measure of the forms and functions of aggression in 855 adolescents (582 boys, 266 girls) aged 12 to 19 years recruited from high school, detained, and residential settings. The Peer Conflict Scale (PCS) is a 40-item measure that was developed to improve upon existing measures and provide an efficient, reliable, and valid assessment of four dimensions of aggression (i.e., reactive overt, reactive relational, proactive overt, and proactive relational) in youths. Confirmatory factor analyses showed that a 4-factor model represented a satisfactory solution for the data. The factor structure fit well for both boys and girls and across high school, detained, and residential samples. Internal consistency estimates were good for the 4 factors, and they showed expected associations with externalizing variables (i.e., arrest history, callous-unemotional traits, and delinquency). Reactive and proactive subtypes showed unique associations consistent with previous literature. Implications for the use of the PCS to assess aggression and inform intervention decisions in diverse samples of youths are discussed. (PsycINFO Database Record (c) 2011 APA, all rights reserved)     

Nutrient database improvement project: The influence of U.S.D.A. Quality and Yield Grade on the separable components and proximate composition of raw and cooked retail cuts from the beef rib and plate

Beef nutrition is important to the worldwide beef industry. The objective of this study was to analyze proximate composition of eight beef rib and plate cuts to update the USDA National Nutrient Database for Standard Reference (SR). Furthermore, this study aimed to determine the influence of USDA Quality Grade on the separable components and proximate composition of the examined retail cuts. Carcasses (n = 72) representing a composite of Yield Grade, Quality Grade, gender and genetic type were identified from six regions across the U.S. Beef plates and ribs (IMPS #109 and 121C and D) were collected from the selected carcasses and shipped to three university meat laboratories for storage, retail fabrication, cooking, and dissection and analysis of proximate composition. These data provide updated information regarding the nutrient content of beef and emphasize the influence of common classification systems (Yield Grade and Quality Grade) on the separable components, cooking yield, and proximate composition of retail beef cuts.