A Mobile Agent Based Spam Filter System

A new distributed spam filter system based on mobile agent is proposed in this paper. We introduce the application of mobile agent technology to the spam filter system. The system architecture, the work process, the pivotal technology of the distributed spam filter system based on mobile agent, and the Naive Bayesian filter method are described in detail. The experiment results indicate that the system can prevent spam emails effectively.

Fault tolerance of Mobius cubes under two forbidden fault set models

An n-dimensional Mobius cube, 0MQ(n) or 1MQ(n), is a variation of n-dimensional cube Q(n) which possesses many attractive properties such as significantly smaller communication delay and stronger graph-embedding capabilities. In some practical situations, the fault tolerance of a distributed memory multiprocessor system can be measured more precisely by the connectivity of the underlying graph under forbidden fault set models. This article addresses the connectivity of 0MQ(n)/1MQ(n), under two typical forbidden fault set models. We first prove that the connectivity of 0MQ(n)/1MQ(n) is 2n - 2 when the fault set does not contain the neighborhood of any vertex as a subset. We then prove that the connectivity of 0MQ(n)/1MQ(n) is 3n - 5 provided that the neighborhood of any vertex as well as that of any edge cannot fail simultaneously These results demonstrate that 0MQ(n)/1MQ(n) has the same connectivity as Q(n) under either of the previous assumptions.

Ferric and ferrous iron in nitroso-myoglobin: computer simulations of stable and metastable states and their infrared spectra

The binding of NO to iron is involved in the biological function of many heme proteins. Contrary to ligands like CO and O-2, which only bind to ferrous (Fe-II) iron, NO binds to both ferrous and ferric (Fe-II) iron. In a particular protein, the natural oxidation state can therefore be expected to be tailored to the required function. Herein, we present an ob initio potential-energy surface for ferric iron interacting with NO. This potential-energy surface exhibits three minima corresponding to eta'-NO coordination (the global minimum), eta(1)-ON coordination and eta(2) coordination. This contrasts with the potential-energy surface for Fe-II-NO, which ex- hibits only two minima (the eta(2) coordination mode for Fe-II is a transition state, not a minimum). In addition, the binding energies of NO are substantially larger for Fe-III than for Fe-II. We have performed molecular dynamics simulations for NO bound to ferric myoglobin (Mb(III)) and compare these with results obtained for Mb(II). Over the duration of our simulations (1.5 ns), all three binding modes are found to be stable at 200 K and transiently stable at 300 K, with eventual transformation to the eta(1)-NO global-minimum conformation. We discuss the implication of these results related to studies of rebinding processes in myoglobin.

Ligand dynamics in myoglobin: calculation of infrared spectra for photodissociated NO

We present molecular dynamics simulations of the photodissociated state of MbNO performed at 300 K using a fluctuating charge model for the nitric oxide (NO) ligand. After dissociation, NO is observed to remain mainly in the centre of the distal haem pocket, although some movement towards the primary docking site and the xenon-4 pocket can be seen. We calculate the NO infrared spectrum for the photodissociated ligand within the haem pocket and find a narrow peak in the range 1915-1922 cm(-1). The resulting blue shift of 1 to 8 cm(-1) compared to gas-phase NO is much smaller than the red shifts calculated and observed for carbon monoxide (CO) in Mb. A small splitting, due to NO in the xenon-4 pocket, is also observed. At lower temperatures, the spectra and conformational space explored by the ligand remain largely unchanged, but the electrostatic interactions with residue His64 become increasingly significant in determining the details of the ligand orientation within the distal haem pocket. The investigation of the effect of the L29F mutation reveals significant differences between the behaviour of NO and that of CO, and suggests a coupling between the ligand and the protein dynamics due to the different ligand dipole moments.

Theoretical investigation of infrared spectra and pocket dynamics of photodissociated carbonmonoxy myoglobin

Molecular dynamics simulations of the photodissociated state of carbonmonoxy myoglobin (MbCO) are presented using a fluctuating charge model for CO. A new three-point charge model is fitted to high-level ab initio calculations of the dipole and quadrupole moment functions taken from the literature. The infrared spectrum of the CO molecule in the heme pocket is calculated using the dipole moment time autocorrelation function and shows good agreement with experiment. In particular, the new model reproduces the experimentally observed splitting of the CO absorption spectrum. The splitting of 3–7 cm−1 (compared to the experimental value of 10 cm−1) can be directly attributed to the two possible orientations of CO within the docking site at the edge of the distal heme pocket (the B states), as previously suggested on the basis of experimental femtosecond time-resolved infrared studies. Further information on the time evolution of the position and orientation of the CO molecule is obtained and analyzed. The calculated difference in the free energy between the two possible orientations (Fe···CO and Fe···OC) is 0.3 kcal mol−1 and agrees well with the experimentally estimated value of 0.29 kcal mol−1. A comparison of the new fluctuating charge model with an established fixed charge model reveals some differences that may be critical for the correct prediction of the infrared spectrum and energy barriers. The photodissociation of CO from the myoglobin mutant L29F using the new model shows rapid escape of CO from the distal heme pocket, in good agreement with recent experimental data. The effect of the protein environment on the multipole moments of the CO ligand is investigated and taken into account in a refined model. Molecular dynamics simulations with this refined model are in agreement with the calculations based on the gas-phase model. However, it is demonstrated that even small changes in the electrostatics of CO alter the details of the dynamics.

Isomeric olefin tetracarbonyl complexes of tungsten(I): an infrared spectroelectrochemical study at low temperatures

In situ electrolysis within an optically transparent thin-layer electrochemical (OTTLE) cell was applied at 293-243 K in combination with FTIR spectroscopy to monitor spectral changes in the carbonyl stretching region accompanying oxidation of four tetracarbonyl olefin complexes of tungsten(0), viz., trans-[W(CO)(4)(eta(2)-ethene)(2)], trans-[W(CO)(4)(eta(2)-norbornene)(2)], [W(CO)(4)(eta(4)-cycloocta-1,5-diene)], and [W(CO)(4)(eta(4)-norbornadiene)]. In all cases, the one-electron-oxidized radical cations (17-electron complexes) have been identified by their characteristic nu(CO) patterns. For the bidentate diene ligands, the cis stereochemistry is essentially fixed in both the 18- and 17-electron complexes. The radical cation of the trans-bis(ethene) complex was observed only at 243 K, while at room temperature it isomerized rapidly to the corresponding cis-isomer. The thermal stability of the three studied radical cations in the cis configuration correlates with the relative strength of the W-CO bonds in the positions trans to the olefin ligand, which are more affected by the oxidation than the axial W-CO bonds. For the bulky norbornene ligands, their trans configuration in the bis(norbornene) complex remains preserved after the oxidation in the whole temperature range studied. The limited thermal stability of the radical cations of the trans-bis(alkene) complexes is ascribed to dissociation of the alkene ligands. The spectroelectrochemical results are in very good agreement with data obtained earlier by DFT (B3LYP) calculations.

Ultrafast charge separation in a photoreactive rhenium-appended porphyrin assembly monitored by picosecond transient infrared spectroscopy

Rhenium(bipyridine)(tricarbonyl)(picoline) units have been linked covalently to tetraphenylmetalloporphyrins of magnesium and zinc via an amide bond between the bipyridine and one phenyl substituent of the porphyrin. The resulting complexes, abbreviated as [Re(CO)(3)(Pic)Bpy-MgTPP][OTf] and [Re(CO)(3)(Pic)Bpy-ZnTPP][OTf], exhibit no signs of electronic interaction between the Re(CO)(3)(bpy) units and the metalloporphyrin units in their ground states. However, emission spectroscopy reveals solvent-dependent quenching of porphyrin emission on irradiation into the long-wavelength absorption bands localized on the porphyrin. The characteristics of the excited states have been probed by picosecond time-resolved absorption (TRVIS) spectroscopy and time-resolved infrared (TRIR) spectroscopy in nitrile solvents. The presence of the charge-separated state involving electron transfer from MgTPP or ZnTPP to Re(bpy) is signaled in the TRIR spectra by a low-frequency shift in the nu(CO) bands of the Re(CO)(3) moiety similar to that observed by spectroelectrochemical reduction. Long-wavelength excitation of [Re(CO)(3)(Pic)Bpy-MTPP][OTf] results in characteristic TRVIS spectra of the S-1 state of the porphyrin that decay with a time constant of 17 ps (M = Mg) or 24 ps (M = Zn). The IR bands of the CS state appear on a time scale of less than 1 ps (Mg) or ca. 5 ps (Zn) and decay giving way to a vibrationally excited (i.e., hot) ground state via back electron transfer. The IR bands of the precursors recover with a time constant of 35 ps (Mg) or 55 ps (Zn). The short lifetimes of the charge-transfer states carry implications for the mechanism of reaction in the presence of triethylamine.

Modified level set method with Canny operator for image noise removal

The level set method is commonly used to address image noise removal. Existing studies concentrate mainly on determining the speed function of the evolution equation. Based on the idea of a Canny operator, this letter introduces a new method of controlling the level set evolution, in which the edge strength is taken into account in choosing curvature flows for the speed function and the normal to edge direction is used to orient the diffusion of the moving interface. The addition of an energy term to penalize the irregularity allows for better preservation of local edge information. In contrast with previous Canny-based level set methods that usually adopt a two-stage framework, the proposed algorithm can execute all the above operations in one process during noise removal.

Minimum neighbour and extended Kalman filter estimator: a practical distributed channel assignment scheme for dense wireless local area networks

Dense deployments of wireless local area networks (WLANs) are becoming a norm in many cities around the world. However, increased interference and traffic demands can severely limit the aggregate throughput achievable unless an effective channel assignment scheme is used. In this work, a simple and effective distributed channel assignment (DCA) scheme is proposed. It is shown that in order to maximise throughput, each access point (AP) simply chooses the channel with the minimum number of active neighbour nodes (i.e. nodes associated with neighbouring APs that have packets to send). However, application of such a scheme to practice depends critically on its ability to estimate the number of neighbour nodes in each channel, for which no practical estimator has been proposed before. In view of this, an extended Kalman filter (EKF) estimator and an estimate of the number of nodes by AP are proposed. These not only provide fast and accurate estimates but can also exploit channel switching information of neighbouring APs. Extensive packet level simulation results show that the proposed minimum neighbour and EKF estimator (MINEK) scheme is highly scalable and can provide significant throughput improvement over other channel assignment schemes.

Synthesis method for visible and infrared broadband spaceflight antireflection coatings

Evolutionary synthesis methods, as originally described by Dobrowolski, have been shown in previous literature to be an effective method of obtaining anti-reflection coating designs. To make this method even more effective, the combination of a good starting design, the best suited thin-film materials, a realistic optimization target function and a non-gradient optimization method are used in an algorithm written for a PC. Several broadband anti-reflection designs obtained by this new design method are given as examples of its usefulness.

Synthesis of broadband anti-reflection coatings for spaceflight infrared optics

A synthesis method is outlined for the design of broadband anti-reflection coatings for use in spaceborne infrared optics. The Golden Section optimisation routine is used to make a search, using designated non-absorptive dielectric thin film combinations, for the coating design which fulfils the required spectral requirements using the least number of layers and different materials. Three examples are given of coatings designed by this method : (I) 1µm to 12µm anti-reflection coating on Zinc Sulphide using Zinc Sulphide and Yttrium Fluoride thin film materials. (ii) 2µm to 14µm anti-reflection coating on Germanium using Germanium and Ytterbium Fluoride thin film materials. (iii) 6µm to 17µm anti-reflection coating on Germanium using Lead Telluride, Zinc Selenide and Barium Fluoride. The measured spectral performance of the manufactured 6µm to 17µm coating on Germanium is given. This is the anti-reflection coating for the germanium optics in the NASA Cassini Orbiter CIRS instrument.

Infrared filters for space-flight focal plane array applications

Infrared filters and coatings have been employed on many sensing radiometer instruments to measure the thermal emission profiles and concentrations of certian chemical constituents found in planetary atmospheres. The High Resolution Dynamics Limb Sounder ( HIRDLS) is an example of the most recent developments in limb-viewing radiometry by employing a cooled focal plane detector array to provide simultaneous multi-channel monitoring of emission from gas and aerosols over an altitude range between 8 - 70 km. The use of spectrally selective cooled detectors in focal plane arrays has simplified the optical layout of radiometers, greatly reducing the number of components in the optical train. this has inevitably led to increased demands for the enviromnetal durability of the focal plane filters because of the need to cut sub-millimeter sizes, whilst maintaining an optimal spectral performance. Additionally the remaining refractive optical elements require antireflection coatings which must cover the entire spectral range of the focal plane array channels, in this case 6 to 18µm, with a minimum of reflection and absorption. This paper describes the optical layout and spectral design requirements for filteriong in the HIRDLS instrument, and reports progress on the manufacturing and testing of the sub-millimetre sized cooled filters. We also report on the spectral and environmental performance of prototype wideband antireflection coatings which satisfy the requirements above.