Evolutionary algorithms and de novo peptide design

One of the goals of computational chemistry is the automated de novo design of bioactive molecules. Despite significant progress in computational approaches to ligand design and efficient evaluation of binding energy, novel procedures for ligand design are required. Evolutionary computation provides a new approach to this design issue. This paper presents an automated methodology for computer-aided peptide design based on evolutionary algorithms. It provides an automatic tool for peptide de novo design, based on protein surface patches defined by user. Regarding the restrictive constrains of this problem a special emphasis has been made on the design of the evolutionary algorithms implemented.     

Performance engineering and topological design of metro WDM opticalnetworks using computer simulation

This paper demonstrates the use of computer simulation for topological design and performance engineering of transparent wavelength-division multiplexing metropolitan-area networks. Engineering of these networks involves the study of various transport-layer impairments such as amplifier noise, component ripple, chirp/dispersion, optical crosstalk, waveform distortion due to filter concatenation, fiber nonlinearities, and polarization effects. A computer simulation methodology composed of three main simulation steps is derived and implemented. This methodology obtains performance estimations by applying efficient wavelength-domain simulations on the entire network topology, followed by time-/frequency-domain simulations on selected paths of the network and finally Q-budgeting on an identified worst case path. The above technique provides an efficient tool for topological design and network performance engineering. Accurate simulation models are presented for each of the performance impairments, and the computer simulation methodology is used for the design and engineering of a number of actual metro network architectures     

Mode coupling contribution to radiation losses in curvatures for high and low numerical aperture plastic optical fibers

We have studied the optical power losses due to multiple curvatures in polymethylmetacrylate (PMMA) plastic optical fibers (POFs) of different numerical apertures (NAs) and attenuation. The fibers were tested for several configurations in order to assess the influence of different types of curved-to-straight fiber transitions in the amount of power radiation. We found that losses are below the standards for all tested fiber types, and thus, they are a suitable choice for local area network (LAN) applications. In addition, our results revealed the presence of modal interactions as confirmed using an experimental procedure to estimate the mode coupling strength for the same fibers.     

Sequential tripping strategy for a transmission network back-upprotection expert system

This paper describes a sequential tripping strategy used in a wide area back-up protection expert system (BPES) to combat situations in which protection relays have maloperated or information is missing. The BPES is an innovative back-up protection scheme designed to prevent the occurrence of widespread blackouts. The BPES evaluates the certainty that transmission lines are likely to be affected by the fault and uses a sequential tripping strategy to isolate the fault if a firm decision is not available due to maloperated relays and/or missing information. The mode of analysis and the sequential tripping strategy ensures that the BPES will clear a fault at minimum risk to the network. An example is included to demonstrate how the certainty factor based sequential tripping strategy is employed by the BPES to clear a fault which occurred on the South Western part of the UK National Grid System     

Announcement

Samples of nine different fruits grown in Oyo State of Nigeria were obtained from different market locations within Ibadan Municipality and analysed for their vitamin C content. Sweet orange was found to contain the highest amount of vitamin C ($\text{56·0}\text{mg}\text{100}\text{g}$ edible portion) whilst sweet banana variety II contained the lowest amount ($\text{9·4}\text{mg}\text{100}\text{g}$ edible portion). Lime, grapefruit, pawpaw and ‘agbalumo’ were found to contain considerable amounts of vitamin C, having 46·5, 47·0, 43·2 and $\text{48·0}\text{mg}\text{100}\text{g}$ respectively. Consumption of these fruits would thus meet the nutritional requirement for vitamin C in this part of Nigeria. It is also recommended that sweet orange, agbalumo, grapefruit, lime and pawpaw, found to contain considerable amounts of vitamin C, should be processed either at home or factory level to make them available to the people all year round.     

Generalisations of Heyman's and Foulkes' theorems using dual formulation

Existing duality principles in structural optimisation are briefly reviewed and then they are extended to structures with segment-wise constant cross-sections. All theories are discussed in the particular context of optimal plastic beam design with symmetric convex specific cost functions and are confirmed by independent calculations on illustrative examples. It is shown that the optimal solution is always associated with a displacement field in which the mean absolute curvature value for each segment equals the subgradient of the specific cost function, with respect to the maximum absolute moment value for that segment. Moreover, the dual problem consists of the maximisation of the difference of two terms: the first one is the integral of the product of load and deflection (external work), and the second is the sum of products of segment lengths and the mean complementary cost values (taken with respect to the mean absolute curvature for that segment). Finally, some tentative proposals for a class of non-convex optimisation problems are presented. For special cases, the proposed general statements reduce to theorems by Heyman, Foulkes and Hemp.