Experimental and Theoretical Study of Hydrogen Atom Abstraction from C2H6 and C4H10 by Zirconium Oxide Clusters Anions

The reactions of anionic zirconium oxide clusters ZrxOy- with C2H6 and C4H10 are investi-gated by a time of flight mass spectrometer coupled with a laser vaporization cluster source.Hydrogen containing products Zr2O5H- and Zr3O7H- are observed after the reaction. Den-sity functional theory calculations indicate that the hydrogen abstraction is favorable in the reaction of Zr2O5- with C2H6, which supports that the observed Zr2O5H- and Zr3O7H- are due to hydrogen atom abstraction from the alkane molecules. This work shows a newpossible pathway in the reaction of zirconium oxide cluster anions with alkane molecules.

Photochemical Hydrogen Abstraction and Electron Transfer Reactions of Tetrachlorobenzoquinone with Pyrimidine Nucleobases

Pentachlorophenol, a widespread environmental pollutant that is possibly carcinogenic to humans, is metabolically oxidized to tetrachloroquinone （TCBQ） which can result in DNA damage. We have investigated the photochemical reaction dynamics of TCBQ with two pyrimidine type nucleobases （thymine and uracil） upon UVA （355 ran） excitation using the technique of nanosecond time-resolved laser flash photolysis. It has been found that 355 nm excitation populates TCBQ molecules to their triplet state 3TCBQ＊, which are highly reactive towards thymine or uracil and undergo two parallel reactions, the hydrogen abstraction and electron transfer, leading to the observed photoproducts of TCBQH. and TCBQ.- in transient absorption spectra. The concomitantly produced nucleobase radicals and radical cations are expected to induce a series of oxidative or strand cleavage damage to DNA afterwards. By characterizing the photochemical hydrogen abstraction and electron transfer reactions, our results provide potentially important molecular reaction mechanisms for understanding the carcinogenic effects of pentachlorophenol and its metabolites TCBQ.

Theoretical Study on Gas Phase Reactions of OH Hydrogen-Abstraction from Formyl Fluoride with Different Catalysts

The mechanisms and kinetics of the gas phase reactions that the hydrogen atom in formyl fluoride （FCHO） abstracted by OH in the presence of water, formic acid （FA）, or sulfuric acid （SA） are theoretically investigated at the CCSD（T）/6-311＋＋G（3df, 3pd）//MO6-2X/6- 311＋＋G（3df, 3pd） level of theory. The calculated results show that the barriers of the transition states involving catalysts are lowered to -2.89, -6.25, and -7.76 kcal/mol from 3.64 kcal/mol with respect to the separate reactants, respectively, which reflects that those catalysts play an important role in reducing the barrier of the hydrogen abstraction reaction of FCHO with OH. Additionally, using conventional transition state theory with Eckart tun- neling correction, the kinetic data demonstrate that the entrance channel X…FCHO＋OH （X=H2O, FA, or SA） is significantly more favorable than the pathway X…OH＋FCHO. More- over, the rate constants of the reactions of FCHO with OH radical with H2O, FA, or SA introduced are computed to be smaller than that of the naked OH＋FCHO reaction because the concentration of the formed X…FCHO or X…OH complex is quite low in the atmosphere.

Theoretical Study on the Excited-state Intramolecular Hydrogen Abstraction Reactions of Butanal

The excited-state intramolecular hydrogen abstraction reactions of butanal have been investigated using the CAS-MP2/6-311＋G^＊//CASSCF/6-31G^＊ methods. Calculated results show that the hydrogen transfer induced fluorescence quenching of the n,π^＊-excited state of covalent butanal with three paths： （1） The first path corresponds to direct S0-react reconstitution, which involves the first S1 decay by partial hydrogen atom transfer. （2） The second stepwise mechanism can be viewed as a full hydrogen atom transfer followed by a partial hydrogen atom back transfer, electron transfer （near S1/S0 or S0-TS） and finally a proton transfer to S0-react. （3） On the triplet surface, the surface crossing to the singlet state would be clearly much efficient at the T1/S0 region due to the large SOC value of 8.3 cm^-1. The S0-react decay route from T1/S0 was studied with an intrinsic reaction coordinate （IRC） calculation at the CASSCF level, resulting in the S0-React minimum.

Topology Abstraction Service for IP VPNs: Core Network Partitioning for Resource Sharing

VPN service providers (VSP) and IP-VPN customers have traditionally maintained service demarcation boundaries between their routing and signaling entities. This has resulted in the VPNs viewing the VSP network as an opaque entity and therefore limiting any meaningful interaction between the VSP and the VPNs. A key challenge is to expose each VPN to information about available network resources through an abstraction (TA) [1] which is both accurate and fair. In [2] we proposed three decentralized schemes assuming that all the border nodes performing the abstraction have access to the entire core network topology. This assumption likely leads to over- or under-subscription. In this paper we develop centralized schemes to partition the core network capacities, and assign each partition to a specific VPN for applying the decentralized abstraction schemes presented in [2]. First, we present two schemes based on the maximum concurrent flow and the maximum multicommodity flow (MMCF) formulations. We then propose approaches to address the fairness concerns that arise when MMCF formulation is used. We present results based on extensive simulations on several topologies, and provide a comparative evaluation of the different schemes in terms of abstraction efficiency, fairness to VPNs and call performance characteristics achieved.

Research on the Automatic Pattem Abstraction and Recognition Methodology for Large-scale Database System based on Natural Language Processing

In this research paper, we research on the automatic pattern abstraction and recognition method for large-scale database system based on natural language processing. In distributed database, through the network connection between nodes, data across different nodes and even regional distribution are well recognized. In order to reduce data redundancy and model design of the database will usually contain a lot of forms we combine the NLP theory to optimize the traditional method. The experimental analysis and simulation proves the correctness of our method.

Vibration Feature Abstraction and Classification of Diesel Fault

ion and classification is put forward for periodic cyclic nonstationary vibration signal. The proposed method is applied to experimental data of an ISUZU C240 diesel engine. Experiment results show the effectiveness of the proposed method in classification of engine faults.

Abstraction from Constructors and Functional Constructors and Their Applications

Structures using constructors are of ordinary use in functional programming to represent data structures of unbound size. Lack of associativity of constructors, however, hinders program analyses or efficient executions. This paper describes ideas of abstraction toward constructors, and similarly abstraction from constructing functions, which we call functional constructors. We demonstrate our ideas making program analyses easier and enable transformation to efficient execution.

Automatic abstraction of interference fringes with image technique

ion technique of interference fringes used in phase modulation and phase scanning modulation interferometer is presented. For the measurement of amplitudes of interference fringes, fringes are fitted and their central points are determined automatically according to their distribution rules. However, for the measurement of their phases, fringes should be recognized and processed with different calculating algorithms and least square optimization methods depending on the scanning modulation mode. When this technique is used for measurement of surface roughness, the measurement uncertainty is better than 5nm and the repeatability is less than 5%.

The CH_3OH+Cl Hydrogen Abstraction Reactions: An ab initio Study

The two channels of the CH(3)OH+Cl hydrogen abstraction reaction, leading to the final products CH(2)OH+HCl (i) and CH(3)O+HCl (ii), have been studied by performing ab initio MP2 calculations with the triplet split-valence polarization basis sets. For each of the two channels the following simple reaction path is predicted: reactants --> transition state --> intermediate --> products. The previously reported complicated paths(2) calculated without using the IRC technique are criticized. Our calculations indicate that channel (i) is exothermic and has a negligible energy barrier while channel (ii) is endothermic and has a substantial energy barrier. These results imply that channel (i) is favorable, which is in line with experiment.

Deadlock detection using abstraction refinement

This paper adopts counterexample guided abstraction refinement scheme to alleviate the state explosion problem of deadlock detection. We extend the classical labeled transition system models by qualifying transitions as certain and uncertain to make deadlock-freedom conservative, i.e. if the abstraction of a system is deadlock-free, then the system is deadlock-free. An abstraction refinement approach to deadlock detection is proposed, and the correctness of the approach is proved.

Modeling Abstraction Hierarchy Levels of the Cyber Attacks Using Random Process

Aspects of human behavior in cyber security allow more natural security to the user. This research focuses the appearance of anticipating cyber threats and their abstraction hierarchy levels on the mental picture levels of human. The study concerns the modeling of the behaviors of mental states of an individual under cyber attacks. The mental state of agents being not observable, we propose a non-stationary hidden Markov chain approach to model the agent mental behaviors. A renewal process based on a nonparametric estimation is also considered to investigate the spending time in a given mental state. In these approaches, the effects of the complexity of the cyber attacks are taken into account in the models.

Density Functional Theory Studies on the Addition and Abstraction Reactions of OH Radical with Benzoate Anion

The addition and abstraction reactions of OH radical with benzoate anion are investigated by density functional theory calculations that include solvent effects using UB3LYP, UCAM-B3LYP, UmPW1PW91 and UM06-2X functionals with the 6-311++G(2d,2p) basis set. Geometry optimizations of the reactants, products and transition state species are performed for the possible reaction paths. For the addition reactions, those targeting the ipso-, ortho-, meta- and para-carbons are predicted to be exoergic. The H-atom abstraction reactions from ortho, meta and para positions are also predicted to be exoergic. On the basis of the rate constants calculated by means of the transition state theory, the H-atom abstraction reaction from the ortho position is determined to be the favored path followed by the ortho OH addition reaction.

Real-time flow-based video abstraction using OpenCL

A non-photorealistic rendering technique is a method to show various effects different from those of realistic image generation.Of the various techniques,flow-based image abstraction displays the shape and color features well and performs a stylistic visual abstraction.But real-time rendering is impossible when CPU is used because it applies various filtering and iteration methods.In this paper,we present real-time processing methods of video abstraction using open open computing language(OpenCL),technique of general-purpose computing on graphics processing units(GPGPU).Through the acceleration of general-purpose computing(GPU),16 frame-per-second(FPS)or greater is shown to process video abstraction.

Multiple Levels of Abstraction in the Simulation of Microthreaded Many-Core Architectures

Simulators are generally used during the design of computer architectures. Typically, different simulators with different levels of complexity, speed and accuracy are used. However, for early design space exploration, simulators with less complexity, high simulation speed and reasonable accuracy are desired. It is also required that these simulators have a short development time and that changes in the design require less effort in the implementation in order to perform experiments and see the effects of changes in the design. These simulators are termed high-level simulators in the context of computer architecture. In this paper, we present multiple levels of abstractions in a high-level simulation of a general-purpose many-core system, where the objective of every level is to improve the accuracy in simulation without significantly affecting the complexity and simulation speed.

Abstraction and Representation:Form and Meaning in the Philosophy of Images

This article examines the complex interplay between abstraction and representation in the ontology of images.Images inhabit an in-between space as tangible artifacts that also convey intangible ideas and meanings.The analysis synthesizes perspectives from across the history of philosophy to elucidate how images bridge abstraction and representation through their form and function.It engages with ongoing epistemological and aesthetic debates concerning the dual nature of images.Plato’s theory of ideal forms is outlined as an early attempt to define abstraction.Modern semiotic theories are discussed for their insights into how images create meaning through codes and signs.Phenomenology offers an alternative approach by prioritizing the sensorial,affective impact of images.Poststructuralism problematizes representation in the context of mechanical reproduction and simulacra.While diverse,these philosophical frameworks all grapple with the issues images pose between abstract essence and concrete appearance,conceptual ideas and sensory manifestations.The article reveals the richness of images as liminal constructs that collapse dualisms in their creative interfacing of material forms and immaterial meanings.It concludes that this ontological ambiguity empowers images as mediators between imagination and perception,subjectivity and reality.

Internal Water Flows and Particles Abstraction in Daphnia

The operational function of the trunk limbs (thoracic appendages), of Daphnia, P3 and P4, is a long-term disputed definition between “solid walls”, sieving filters. Sieving is unlikely process for routine particle collection, particle capture is not a simple mechanical process and not by sieving alone. Analysis promotion supported by direct observational examination of the in-vivo cinematographic slow-motion film and magnified solid photos of tethered Daphnia by high-speed camera (250 frames per second) resulted in a definite interpretation presented in this paper. The Daphnia’s feeding mechanism achieves particles abstraction not by sieving. The existence of two internal alternate water flow routs was indicated: Lateral and Median. These micro flow structures are suggested as vulnerability reduction.

Unified Enclave Abstraction and Secure Enclave Migration on Heterogeneous Security Architectures

ion and secure enclave migration on heterogeneous security architectures.

Quantum chemical study on insertion and abstraction reaction of dichlorocarbene with methyl alcohol and methyl mercaptan

The insertion and abstraction reaction mechanisms of singlet and triplet CCl2 with CH3MH (M=O, S) have been studied by using the DFT, NBO and AIM methods. The geometries of reactions, the transition state and products were completely optimized by B3LYP/6–311G(d, p). All the energy of the species was obtained at the CCSD(T)/6–311G(d, p) level. The calculated results indicated that the major pathways of the reaction were obtained on the singlet potential energy surface. The singlet CCl2 can not only trigger the insertion reaction with C-H and M-H in four pathways, by which the products P1 [CH3OCHCl2, reaction I(1)], P3[Cl2HCCH2OH, reaction I(2)], P5[CH3SCHCl2, reaction II(1)] and P7[Cl2HCCH2SH, reaction II(2)] are produced respectively, but also abstract M-H, resulting P4 [CH2O+CH2Cl2, reaction I(3)] and P8[CH2S+CH2Cl2, reaction II(3)]. In addition, the important geometries in domain pathways have been studied by AIM and NBO theories.

Combining search space partition and abstraction for LTL model checking

The state space explosion problem is still the key obstacle for applying model checking to systems of industrial size. Abstraction-based methods have been particularly successful in this regard. This paper presents an approach based on refinement of search space partition and abstraction which combines these two techniques for reducing the complexity of model checking. The refinement depends on the representation of each portion of search space. Especially, search space can be refined stepwise to get a better reduction. As reported in the case study, the integration of search space partition and abstraction improves the efficiency of verification with respect to the requirement of memory and obtains significant advantage over the use of each of them in isolation.