氨分子逐级键解离能降低的解释

采用理论计算方法解释了氨逐级解离能降低的现象.计算结果表明,随着N与H原子结合数目的减少,键解离能降低、键长增长;随着N与H原子结合数目的增多,N的2s电子跃迁到N的2p轨道上的几率增大,减小了屏蔽作用;更多电子从H的1s轨道迁移到N的2p轨道,增大了N和H之间的静电作用;单电子或孤对电子与N-H键夹角的增大减小了排斥作用.这3个因素造成NH3的逐级键解离能有降低的趋势.

疟疾危害仍需防

1959年的庐山会议,轰动世界,载入史册,一首昔人咏疟疾的词,也因毛泽东在那次会上引用而闻名遐迩:冷来时冷得在冰凌上卧,热来时热得在蒸笼里坐,痛时节痛得天灵破,战时节战得牙关挫.真是个害杀人也么哥,真是个寒来暑往人难过.

Positioning planning of high-intensity-focused ultrasound surgery platform using Bezier curve

A positioning volume ellipsoid method is proposed to represent tumor volume in the workspace of a high-intensity-focused ultrasound (HIFU) surgery platform during the platform's positioning motion. To this simplified tumor model, a nearest neighbor search method is used to determine intermediate configuration and goal configuration, which the treatment head and ultrasound focus must pass in their localization to target volume. Based on the decided configurations, the continuity condition of combined Bezier curve in Euclidean space and De Casteljau algorithm on Lie group SO(3) are integrated to construct a combined Bezier positioning path of C2 continuity at junctional configuration, and an illustration of different positioning path planning is analyzed based on a liver tumor case.

Calculation model of military aircraft suryiyability to a missile

Since missiles are main threat against aircrafts in air war,a model is proposed for calculating the aircraft survivability to a missile.The hit characteristic of aircraft to a missile is analyzed,and then Monte Carlo method is applied to generate missile detonation location according to its distribution rule.In addition,based on the analysis of fragment trajectory and critical components,the intersection point of these two is determined.Then the kill probability of critical component to a fragment can be calculated,and the aircraft survivability to a missile is obtained accordingly.Finally,the feasibility of the proposed method is demonstrated.Simulation results show that this method captures the basic effects of missile detonation locations on aircraft survivability,which may provide an effective reference to aircraft survivability research.

Calculation of hydrodynamics for semi-submersibles based on NURBS

Accurate hydrodynamic calculations for semi-submersibles are critical to support modern rapid exploration and extraction of ocean resources. In order to speed hydrodynamic calculations, lines modeling structures were separated into structural parts and then fitted to Non-uniform Rational B-spline (NURBS). In this way, the bow and stern section lines were generated. Modeling of the intersections of the parts was then done with the universal modeling tool MSC.Patran. Mesh was gererated on the model in order to obtain points of intersection on the joints, and then these points were fitted to NURBS. Next, the patch representation method was adopted to generate the meshes of wetted surfaces and interior free surfaces. Velocity potentials on the surfaces were calculated separately, on basis of which the irregular frequency effect was dealt with in the calculation of hydrodynamic coefficients. Finally, the motion response of the semi-submersible was calculated, and in order to improve calculations of vertical motion, a damping term was affixed in the vertical direction. The results show that the above methods can generate fine mesh accurately representing the wetted surface of a semi-submersible and thus improve the accuracy of hydrodynamic calculations.

A Deadlock-Avoidance Dispatching Method for Multiple-Load AGVs Based Transportation System

In recent years,multiple-load automatic guided vehicle(AGV)is increasingly used in the logistics transportation fields,owing to the advantages of smaller fleet size and fewer occurrences of traffic congestion.However,one main challenge lies in the deadlock-avoidance for the dispatching process of a multiple-load AGV system.To prevent the system from falling into a deadlock,a strategy of keeping the number of jobs in the system(NJIS)at a low level is adopted in most existing literatures.It is noteworthy that a low-level NJIS will make the processing machine easier to be starved,thereby reducing the system efficiency unavoidably.The motivation of the paper is to develop a deadlock-avoidance dispatching method for a multiple-load AGV system operating at a high NJIS level.Firstly,the deadlock-avoidance dispatching method is devised by incorporating a deadlock-avoidance strategy into a dispatching procedure that contains four sub-problems.In this strategy,critical tasks are recognized according to the status of workstation buffers,and then temporarily forbidden to avoid potential deadlocks.Secondly,three multiattribute dispatching rules are designed for system efficiency,where both the traveling distance and the buffer status are taken into account.Finally,a simulation system is developed to evaluate the performance of the proposed deadlock-avoidance strategy and dispatching rules at different NJIS levels.The experimental results demonstrate that our deadlock-avoidance dispatching method can improve the system efficiency at a high NJIS level and the adaptability to various system settings,while still avoiding potential deadlocks.

Infrared Spectra,Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions

Binuclear transition metal carbonyl clusters serve as the simplest models in understand- ing metal-metal and ligand bonding that are important organometallic chemistry catalysis. Binuclear first row transition metal carbonyl ions are produced via a pulsed laser vaporiza- tion/supersonic expansion cluster ion source in the gas phase. These ions are studied by mass-selected infrared photodissociation spectroscopy in the carbonyl stretching frequency region. Density functional theory calculations have been performed on the geometric struc- tures and vibrational spectra of the carbonyl ions. Their geometric and electronic structures are determined by comparison of the experimental IR spectra with the simulated spectra. The structure and the metM-metal and metal-CO bonding of both saturated and unsaturated homonuclear as well as heteronuclear carbonyl cluster cations and anions are discussed.

Tail asymptotic expansions for L-statistics

We derive higher-order expansions of L-statistics of independent risks X1,..., Xn under conditions on the underlying distribution function F. The new results are applied to derive the asymptotic expansions of ratios of two kinds of risk measures, stop-loss premium and excess return on capital, respectively. Several examples and a Monte Carlo simulation study show the efficiency of our novel asymptotic expansions. Keywords smoothly varying condition, second-order regular variation, tail asymptotics, value-at-risk, con- ditional tail expectation, largest claims reinsurance, ratio of risk measure, excess return on capital

Development of solid-state nanopore fabrication technologies

As the key components of nanopore-based nucleic acid sequencing systems, nanopores have drawn more and more scientific interests over these years. Although most of the early nanopore-based sequencers adopted biological nanopores, solid-state nanopores have been gradually growing in popularity due to their increased robustness and durability, control over pore geometry and surface properties, as well as compatibility with the existing semiconductor and microfiuidics fabrication techniques. Besides acting as a platform for biomolecular analysis, solid-state nanopores also have great potential in many other fields such as near-field optics, nanostencil lithography and ionic logic circuitry, due to the possibility of parallel massive production. Therefore, many approaches for the fabrication of solid-state nanopores have been developed. This paper reviews the typical solid-state nanopore fabrication techniques reported to date and compares their advantages and disadvantages. The specific applications of each kind of solid-state nanopores are also summarized based on the carefully analysis of their unique morphologies and properties such as the feature size, inner structure and possibility of massive production.

Overexpression of the steroidogenic acute regulatory protein increases the expression of ATP-binding cassette transporters in microvascular endothelial cells(bEnd.3)

Objective:To determine the effect of steroidogenic acute regulatory protein(StAR) overexpression on the levels of adenosine triphosphate(ATP)-binding cassette transporter A1(ABCA1) and ATP-binding cassette transporter G1(ABCG1) in an endothelial cell line(bEnd.3).Methods:The StAR gene was induced in bEnd.3 cells with adenovirus infection.The infection efficiency was detected by fluorescence activated cell sorter(FACS) and fluorescence microscopy.The expressions of StAR gene and protein levels were detected by real-time polymerase chain reaction(PCR) and Western blot.The gene and protein levels of ABCA1 and ABCG1 were detected by real-time PCR and Western blot after StAR overexpression.Results:The result shows that StAR was successfully overexpressed in bEnd.3 cells by adenovirus infection.The mRNA and protein expressions of ABCA1 and ABCG1 were greatly increased by StAR overexpression in bEnd.3 cells.Conclusion:Overexpression of StAR increases ABCA1 and ABCG1 expressions in endothelial cells.