Entropy and Network Centralities as Intelligent Tools for the Investigation of Terrorist Organizations

In recent years, law enforcement authorities have increasingly used mathematical tools to support criminal investigations, such as those related to terrorism. In this work, two relevant questions are discussed: “How can the different roles of members of a terrorist organization be recognized?” and “are there early signs of impending terrorist acts?” These questions are addressed using the tools of entropy and network theory, more specifically centralities (degree, betweenness, clustering) and their entropies. These tools were applied to data (physical contacts) of four real terrorist networks from different countries. The different roles of the members are clearly recognized from the values of the selected centralities. An early sign of impending terrorist acts is the evolutionary pattern of the values of the entropies of the selected centralities. These results have been confirmed in all four terrorist networks. The conclusion is expected to be useful to law enforcement authorities to identify the roles of the members of terrorist organizations as the members with high centrality and to anticipate when a terrorist attack is imminent, by observing the evolution of the entropies of the centralities.     

Contagion in cyber security attacks

Systems security is essential for the efficient operation of all organizations. Indeed, most large firms employ a designated ‘Chief Information Security Officer’ to coordinate the operational aspects of the organization’s information security. Part of this role is in planning investment responses to information security threats against the firm’s corporate network infrastructure. To this end, we develop and estimate a vector equation system of threats to 10 important IP services, using industry standard SANS data on threats to various components of a firm’s information system over the period January 2003 – February 2011. Our results reveal strong evidence of contagion between such attacks, with attacks on ssh and Secure Web Server indicating increased attack activity on other ports. Security managers who ignore such contagious inter-relationships may underestimate the underlying risk to their systems’ defence of security attributes, such as sensitivity and criticality, and thus delay appropriate information security investments.     

Electrical Conductivity and Percolation Aspects of Statistically Homogeneous Porous Media

A method of 3-D stochastic reconstruction of porous media based on statistical information extracted from 2-D sections is evaluated with reference to the steady transport of electric current. Model microstructures conforming to measured and simulated pore space autocorrelation functions are generated and the formation factor is systematically determined by random walk simulation as a function of porosity and correlation length. Computed formation factors are found to depend on correlation length only for small values of this parameter. This finding is explained by considering the general percolation behavior of a statistically homogeneous system. For porosities lower than about 0.2, the dependence of formation factor on porosity shows marked deviations from Archie's law. This behavior results from the relatively high pore space percolation threshold (0.09) of the simulated media and suggests a limitation to the applicability of the method to low porosity media. It is additionally demonstrated that the distribution of secondary porosity at a larger scale can be simulated using stochastic methods. Computations of the formation factor are performed for model media with a matrix-vuggy structure as a function of the amount and spatial distribution of vuggy porosity and matrix conductivity. These results are shown to be consistent with limited available experimental data for carbonate rocks.     

Time-Dependent Diffusion and Surface-Enhanced Relaxation in Stochastic Replicas of Porous Rock

Understanding the connection between pore structure and NMR behavior of fluid-saturated porous rock is essential in interpreting the results of NMR measurements in the field or laboratory and in establishing correlations between NMR parameters and petrophysical properties. In this paper we use random-walk simulation to study NMR relaxation and time-dependent diffusion in 3D stochastic replicas of real porous media. The microstructures are generated using low-order statistical information (porosity, void–void autocorrelation function) obtained from 2D images of thepore space. Pore size distributions obtained directly by a 3D pore space partitioning method and indirectly by inversion of NMR relaxation data are compared for the first time. For surface relaxation conditions typical of reservoir rock, diffusional coupling between pores of different size is observed to cause considerable deviations between the two distributions. Nevertheless, the pore space correlation length and the size of surface asperity are mirrored in the NMR relaxation data for the media studied. This observation is used to explain the performance of NMR-based permeability correlations. Additionally, the early time behavior of the time-dependent diffusion coefficient is shown to reflect the average pore surface-to-volume ratio. For sufficiently high values of the self-diffusion coefficient, the tortuosity of the pore space is also recovered from the long-time behavior of the time-dependent diffusion coefficient, even in the presence of surface relaxation. Finally, the simulations expose key limitations of the stochastic reconstruction method, and allow suggestions for future development to be made.     

Microwave-assisted synthesis of the Schöllkopf chiral auxiliaries: (3S)- and (3R)-3,6-dihydro-2,5-diethoxy-3-isopropyl-pyrazine

A practical and efficient methodology for the laboratory scale preparation of Schöllkopf’s bis-lactim ether chiral auxiliaries (3S)- and (3R)-3,6-dihydro-2,5-diethoxy-3-isopropyl-pyrazine has been developed. The key step is the preparation of the 2,5-diketopiperazine derivative by microwave-assisted heating in water. The protocol avoids reactions at low temperature and the use of high boiling solvents. Only inexpensive and readily available starting materials are required. The bis-lactim ethers were produced in high yields on a multigram scale.     

Chemical bonding of chlorophylls and plant aminic axial ligands impact harvesting of visible light and quenching of fluorescence

In the present work, we tested the mode of interaction of all three polyamines (putrescine, spermidine and spermine) with chlorophyll a and b, as well as pheophytin a and b. The results showed that all three polyamines bind to the Mg ion of chlorophyll ring as probed by Raman spectroscopy. The coordination of spermine with Chl b has the most interesting features from all pigments tested. Spermine induces reversible increases and decreases of the fluorescence yield of Chl b at about 661 nm. Interestingly, equilibrium between a high-fluorescence yield conformation and a low yield is feasible by the interaction of chlorophyll b and aminic ligands. Furthermore, absorption data for the diagnostic regions of 518 and 535 nm are provided for all combinations of pigments and ligands. The significance and consistence of these results with respect to photochemical and bioenergetic principles are discussed.     

Geometric and Topological Analysis of Three-Dimensional Porous Media: Pore Space Partitioning Based on Morphological Skeletonization

This article presents a versatile, rigorous, and efficient methodology for extracting various geometric and topological parameters of 3D discrete porous media. The new approach takes advantage of the morphological skeleton of the pore structure-a lower dimensional representation of the pore space akin to the topological "deformation retract". The skeleton is derived by a fully parallel thinning algorithm that fulfils two essential requirements: it generates a medial axis and preserves the connectivity of the pore space. Topological analysis is accomplished by classifying all skeleton points as node or link (branch) points according to the concept of lambda-adjacency in 3D discrete space. In this manner, node coordination number and link length distributions are directly obtained from the skeleton. Pore necks (throats) are identified through a search for minima in the hydraulic radius of individual pore space channels outlined by skeleton links. In addition to the determination of the size distribution of the constrictions (pore necks) that control nonwetting phase invasion, improved estimates of the distributions of effective hydraulic and electric conductivity of individual pore space channels are obtained. Furthermore, erection of planes at the location of pore necks results in partitioning of the pore space into its constituent pores. This enables the characterization of the pore space in terms of a pore volume distribution. The new methodology is illustrated by application to a regular cubic pore network and irregularly shaped 2D and 3D pore networks generated by stochastic simulation. In the latter case, important new results are obtained concerning the sensitivity of geometric and topological properties of the microstructure to the parameters of stochastic simulation, namely, the porosity and correlation function. It is found that model porous media reconstructed from the same porosity and correlation function can exhibit marked differences in geometry and connectivity, which correlate with differences in specific surface area. Copyright 2000 Academic Press.     

Aryl-O reductive elimination from reaction of well-defined aryl-Cu(III) species with phenolates: the importance of ligand reactivity

Well-defined aryl-Cu(III) species undergo rapid reductive elimination upon reaction with phenolates (PhO(-)), to form aryl-OPh cross-coupling products. Kinetic studies show that the reaction follows a different mechanistic pathway compared to the reaction with phenols. The pH active cyclized pincer-like ligand undergoes an initial amine deprotonation that triggers a faster reactivity at room temperature. A mechanistic proposal for the enhanced reactivity and the role of EPR-detected Cu(II) species will be discussed in detail.