Intentions Determine the Effect of Invisible Metacontrast-Masked Primes: Evidence for Top-Down Contingencies in a Peripheral Cuing Task.

In 5 experiments, the authors tested whether the processing of nonconscious spatial stimulus information depends on a prior intention. This test was conducted with the metacontrast dissociation paradigm. Experiment 1 demonstrated that masked primes that could not be discriminated above chance level affected responses to the visible stimuli that masked them. Experiments 2 and 3 showed that this effect was abolished when the task instruction was changed in such a way that the primes ceased to be task relevant. Experiments 4 and 5 demonstrated that a prime's effect depended on whether it was associated with the same response as the target or with an opposite response. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

几种总氰化物预处理方法的比较及离解机理的探讨

考察研究了９种预处理体系对８种常见金属氰络合物的离解效率，结果表明：有６种预处理体系均能得到较满意的结果。此外，还探讨了预处理体系中金属氰络合物的离解机理，提出了各种存在形式氰化物离解的可能机理。     

MALDI Q-TOF CID MS for Diagnostic Ion Screening of Human Milk Oligosaccharide Samples

Human milk oligosaccharides (HMO) represent the bioactive components of human milk, influencing the infant’s gastrointestinal microflora and immune system. Structurally, they represent a highly complex class of analyte, where the main core oligosaccharide structures are built from galactose and N-acetylglucosamine, linked by 1–3 or 1–4 glycosidic linkages and potentially modified with fucose and sialic acid residues. The core structures can be linear or branched. Additional structural complexity in samples can be induced by endogenous exoglycosidase activity or chemical procedures during the sample preparation. Here, we show that using matrix-assisted laser desorption/ionization (MALDI) quadrupole-time-of-flight (Q-TOF) collision-induced dissociation (CID) as a fast screening method, diagnostic structural information about single oligosaccharide components present in a complex mixture can be obtained. According to sequencing data on 14 out of 22 parent ions detected in a single high molecular weight oligosaccharide chromatographic fraction, 20 different oligosaccharide structure types, corresponding to over 30 isomeric oligosaccharide structures and over 100 possible HMO isomers when biosynthetic linkage variations were taken into account, were postulated. For MS/MS data analysis, we used the de novo sequencing approach using diagnostic ion analysis on reduced oligosaccharides by following known biosynthetic rules. Using this approach, de novo characterization has been achieved also for the structures, which could not have been predicted.     

Tritium Isotope Separation by Multiphoton Dissociation of CF3CTCIF

A conception of the advanced water chemistry diagnosis system for detection of anomalies and preventive maintenance of system components is proposed. Extension of anomaly diagnosis knowledge and more reliable water chemistry data are indispensable to the advanced system. Then, correlations between water chemistry (conductivity and pH) change in reactor water and anomaly occurrence in the components of the feed water line are analyzed theoretically. These correlations are verified as applicable to extension of the diagnosis knowledge for anomalies in the components of the feed water line, such as resin intrusion, sea water Leakage at the condenser, and a breakdown in ion exchange capacity of resin at the condensate demineralizer.     

Green hydroelectrical energy source based on water dissociation by nanoporous ferrite

Dissociation of water molecule occurs on octahedrally coordinated unsaturated suface cations and oxygen vacancies created by lithium substitution in magnesium ferrite. Lower synthesis temperature of ferrite has generated nanopores in microstructure. Dissociated hydronium and hydroxyl ions are transported through surface and capillary diffusion in porous ferrite network towards attached Zn and Ag electrodes. Water molecule dissociation ability of nanoporous ferrite has been exploited to develop a green electrical energy cell, which is a combination of material science and electrode chemistry. The innovated cell has been nomenclatured as hydroelectric cell (HEC). When HEC is partially dipped in deionized water, spontaneously hydroxide and hydronium ions are produced by water molecule dissociation. Hydronium ions trapped in nanopores develop enough electric field that further dissociates physisorbed water molecules. Thereby, the process of water molecule dissociation is accelerated in a bigger way to increase ionic current in the cell. Oxidation of Zn electrode by hydroxide ion and reduction of H₃O⁺ at Ag electrode develop voltage and electric current in the cell. The HEC cell of a 17 cm² area is able to generate a short circuit current of 82 mA and 920 mV emf with a maximum output power of 74 mW, which is three order higher than reported output power 1.4 μW/cm² produced by water in cement matrix. Hydroelectric cell performance is repetitive, stable and possesses potential to replace traditional ways of generating renewable energy in terms of cost and safety. Copyright © 2016 John Wiley & Sons, Ltd.     

DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts

Adsorption and dissociation of H₂ and hydrogenation of 1-pentyne on neutral and anionic Cu₂₀ clusters have been investigated using the density functional theory and microkinetic modelling. Molecular adsorption of H₂ is found to occur strictly at atop sites. The H₂ dimer is activated upon adsorption, and the dissociation occurs with moderate energy barriers. The dissociated H atoms reside preferentially on 3-fold face and 2-fold edge sites. Based on these results, the reaction paths leading to the partial and total hydrogenation of 1-pentyne have been studied step-by-step. The results suggest that copper clusters can display selective activity on the hydrogenation of alkyne and alkene molecules. The hydrogenated products are more stable than the corresponding initial reactants following an energetic staircase with the number of added H atoms. Stable semi-hydrogenated intermediates are formed before the partial (1-pentene) and total (pentane) hydrogenation stages of 1-pentyne. The microkinetic model analysis shows that C₅H₁₀ is the dominant product. Increasing the reactants (C₅H₈/H₂) ratio enhances the formation of products (C₅H₁₀ and C₅H₁₂).     

用Shedlovsky方法求解298.15K时硫酸氧钒离子对解离常数

采用电导法测定了水溶液中298.15 K时VOSO4·n H2O(s)的电导率,通过Origin数据拟合求出极限摩尔电导;采用改进的Ostwald稀释定律和改进的Davies方程求解活度系数,进而求得溶液的真实离子强度;采用Shedlovsky方法求解硫酸氧钒离子对的解离常数。经过数据处理得到了298.15 K时硫酸氧钒极限摩尔电导率Λ0为209.205 020 9S·dm2/mol,硫酸氧钒离子对的解离常数Kd为0.001 756 218,进而可以研究其他相关热力学性质。     

钾长石-硫酸钙-碳酸钙体系提钾添加剂的实验研究

研究了不同温度下氯化钙、硫酸钠对钾长石-硫酸钙-碳酸钙体系[n(microcline)∶n(CaSO4)∶n(CaCO3)=1∶1∶14]钾熔出率的影响,并进一步研究了加入硫酸钠时的热分解反应动力学。结果表明:硫酸钠可有效地促进钾长石的热分解,当其添加量为2.91%时,反应温度可降为1050℃,表观活化能可降为87.71kJ/mol;在950℃、1050℃时,钾长石释钾主要机理是离子交换;在1150℃时,钾长石释钾机理主要是阴离子吸附。     

A density functional theory study of methane activation on MgO supported Ni9M1 cluster: role of M on C–H activation

Methane activation is a pivotal step in the application of natural gas converting into high-value added chemicals via methane steam/dry reforming reactions. Ni element was found to be the most widely used catalyst. In present work, methane activation on MgO supported Ni–M (M = Fe, Co, Cu, Pd, Pt) cluster was explored through detailed density functional theory calculations, compared to pure Ni cluster. CH₄ adsorption on Cu promoted Ni cluster requires overcoming an energy of 0.07 eV, indicating that it is slightly endothermic and unfavored to occur, while the adsorption energies of other promoters M (M = Fe, Co, Pd and Pt) are all higher than that of pure Ni cluster. The role of M on the first C–H bond cleavage of CH₄ was investigated. Doping elements of the same period in Ni cluster, such as Fe, Co and Cu, for C–H bond activation follows the trend of the decrease of metal atom radius. As a result, Ni–Fe shows the best ability for C–H bond cleavage. In addition, doping the elements of the same family, like Pd and Pt, for CH₄ activation is according to the increase of metal atom radius. Consequently, C–H bond activation demands a lower energy barrier on Ni–Pt cluster. To illustrate the adsorptive dissociation behaviors of CH₄ at different Ni–M clusters, the Mulliken atomic charge was analyzed. In general, the electron gain of CH₄ binding at different Ni–M clusters follows the sequence of Ni–Cu (–0.02 e) < Ni (–0.04 e) < Ni–Pd (–0.08 e) < Ni–Pt (–0.09 e) < Ni–Co (–0.10 e) < Ni–Fe (–0.12 e), and the binding strength between catalysts and CH ₄ raises with the CH₄ electron gain increasing. This work provides insights into understanding the role of promoter metal M on thermal-catalytic activation of CH₄ over Ni/MgO catalysts, and is useful to interpret the reaction at an atomic scale.