Peptidehelicenes in solution and gel: chiral discrimination through interactions between two types of helixes

Helical [5]thiaheterohelicene 5HM, which rapidly interconverts between P and M enantiomers in solution, was connected to helical l-phenylalanine oligomers with an ester linkage to give peptidehelicenes (5Fn, where n: number of bonded phenylalanines). The characteristics of 5F4 and 5F5 with two types of helixes in a molecule were investigated, particularly in comparison with those of 5F1–5F3 with an incomplete coil of a peptide moiety. l-Phenylalanine peptide chains induced a shift in the equilibrium between the P and M helixes of 5HM toward the P side for all the 5Fns examined. The enantiomeric excess (ee) of the P form increased with a decrease in temperature, together with an elongation of the peptide chains. 5F4 and 5F5 in hot solutions of some solvents formed a gel at room temperature, whereas 5F1–5F3 showed no such behavior. In this gel, the stable helical form of the 5HM moiety in 5F4 and 5F5 was observed to be the M form in contrast to that in their solutions.     

Low Power Penalty Operation of a Wide Input Dynamic Range Cross-Phase Modulation Wavelength Converter

We successfully demonstrated low power penalty operation of a cross-phase modulated (XPM) wavelength converter using a semiconductor optical amplifier (SOA) power equalizer. We also clarified the SOA equalizing level for more adaptive wavelength conversion and achieved a power penalty of less than 1 dB over the wide input dynamic range of 15 dB.     

A Regularly Preemptive Model and its Approximations

A regularly preemptive model D,MAP/D ₁,D ₂/1 is studied. Priority customers have constant inter-arrival times and constant service times. On the other hand, ordinary customers' arrivals follow a Markovian Arrival Process (MAP) with constant service times. Although this model can be formulated by using the piecewise Markov process, there remain some difficult problems on numerical calculations. In order to solve these problems, a novel approximation model MAP/MR/1 with Markov renewal services is proposed. These two queueing processes become different due to the existence of idle periods. Thus, a MAP/MR/1 queue with a general boundary condition is introduced. It is a model with the exceptional first service in each busy period. In particular, two special models are studied: one is a warm-up queue and the other is a cool-down queue. It can be proved that the waiting time of ordinary customers for the regular preemption model is stochastically smaller than the waiting time of the former model. On the other hand, it is stochastically larger than the waiting time of the latter model.     

Parametrization of calcium binding site in proteins and molecular dynamics simulation on phospholipase A2

The empirical energy parameters for a calcium ion and its ligands in proteins were determined within a pairwise additive framework. The interaction energies of Ca²⁺-water, Ca²⁺-peptide group and Ca²⁺-carboxyl group systems were calculated using the ab initio molecular orbital method with basis sets of double zeta quality including polarization or diffuse functions. The resulting potential energy surfaces served as references for the determination of the nonbonded parameters in the empirical energy function. The nonadditive corrections for the Ca²⁺-ligand pair potentials are incorporated implicitly in the nonbonded paremeters by treating three-body (1:2 complex) or seven-body (1:6 complex) systems in reference calculations. Ligand polarizations induced by Ca²⁺ are estimated from the partial atomic charges of two-body (1:1 complex) systems. The charge sets were determined by scaling so as to reproduce the reference potential energy surfaces. The newly determined parameter set was used in a stochastic boundary molecular dynamics simulation of phospholipase A₂. The solvated structure of the Ca²⁺-binding site obtained from an X-ray crystallographic study is well reproduced by the parameter set.     

Multi-period resource allocation for estimating project costs in competitive bidding

Central European Journal of Operations Research - In competitive bidding for project contracts, contractors estimate the cost of completing a project and then determine the bid price. Accordingly,...