Charge transport in a polypeptide chain

Charge transport is one important example of signal transduction in a protein which is responsible for action at a distance, and is a fundamental process in biochemical action. A model is presented in which electronic effects interact with motional processes to combine into a bifunctional model. This model is investigated with new detailed molecular dynamics calculations and successfully explains such action at a distance. Received 1st February 2002 / Received in final form 26 May 2002 Published online 13 September 2002     

The electrical resistivity of some uranium tellurides

Electrical resistivity of U₃Tein4, U₂Te₃ (cubic) and UTe₃ has been measured over temperature range 4.2–300 K. The two former compounds appear to be semimetallic conductors while the last one has semiconducting character. The results are discussed in the terms of available magnetic data.     

Invertible point transformations,Painlevé test,and the second Painlevé transcendent

The techniques of invertible point transformations and the Painlevé analysis can be used to construct integrable ordinary differential equations. We compare both techniques for the second Painlevé transcendent.     

A Stochastic Analysis of a Staffing Problem

Consider an organization with several categories of staff, each having a specified number of members. The age of entry into service and the age of retirement are both specified. Withdrawals occur at time-independent rates. Under this set-up, the authors have computed the maximum ages at which promotions should take place, assuming that the staff members continuing at various ages are random. Some illustrative calculations have been carried out.     

A search technique for global optimization in a chaotic environment

We describe a new algorithm which uses the trajectories of a discrete dynamical system to sample the domain of an unconstrained objective function in search of global minima. The algorithm is unusually adept at avoiding nonoptimal local minima and successfully converging to a global minimum. Trajectories generated by the algorithm for objective functions with many local minima exhibit chaotic behavior, in the sense that they are extremely sensitive to changes in initial conditions and system parameters. In this context, chaos seems to have a beneficial effect: failure to converge to a global minimum from a given initial point can often be rectified by making arbitrarily small changes in the system parameters.     

Three Electrons in a Two-Dimensional Parabolic Trap: The Relative Motion Solution

In agreement with the Kohn theorem the relative motion (rel) of three electrons in a two-dimensional parabolic trap separates from the centre-of-mass (CM) motion. By introducing new coordinates the Hamiltonian for relative motion in the approximation of non-interacting electrons can be taken to the normal form. The eigenstates of the normalized Hamiltonian are products of the Fock-Darwin states for normal modes. The energy levels for relative motion are obtained by diagonalizing the exact Hamiltonian in the eigenbasis for the non-interacting case. In this basis the interaction matrix elements can be obtained in the analytical form. Since the rank of the Hamiltonian matrix is significantly reduced, the calculations are faster and more accurate than those for the full (CM + rel) motion. This advantage is especially important for the calculations of excited states and the analysis of energy spectra.     

Enantiodiscrimination of racemic electrophiles by diketopiperazine enolates: asymmetric synthesis of methyl 2-amino-3-aryl-butanoates and 3-methyl-aspartates

Enolates of (S)-N,N′-bis-(p-methoxybenzyl)-3-iso-propylpiperazine-2,5-dione exhibit high levels of enantiodiscrimination in alkylations with (RS)-1-aryl-1-bromoethanes and (RS)-2-bromoesters, affording substituted diketopiperazines containing two new stereogenic centres in high de. Deprotection and hydrolysis of the resultant substituted diketopiperazines provides a route to the asymmetric synthesis of homochiral methyl 2-amino-3-aryl-butanoates and 3-methyl-aspartates in high de and ee.     

Wavelength and power monitoring of DWDM systems using scanning F–P filter calibrated with a F–P laser

A novel technique to overcome the long-term drift and hysteresis of a scanning Fabry–Perot filter was developed and applied to wavelength and power monitoring of DWDM system. By using the comb peaks generated by a temperature-stabilized, near threshold-biased Fabry–Perot diode laser as wavelength reference for the scanning Fabry–Perot filter, wavelength and power measurement accuracy of better than ±10 pm and 0.2 dB, respectively, were achieved.     

Primal cutting plane algorithms revisited

Dual fractional cutting plane algorithms, in which cutting planes are used to iteratively tighten a linear relaxation of an integer program, are well-known and form the basis of the highly successful branch-and-cut method. It is rather less well-known that various primal cutting plane algorithms were developed in the 1960s, for example by Young. In a primal algorithm, the main role of the cutting planes is to enable a feasible solution to the original problem to be improved. Research on these algorithms has been almost non-existent.  In this paper we argue for a re-examination of these primal methods. We describe a new primal algorithm for pure 0-1 problems based on strong valid inequalities and give some encouraging computational results. Possible extensions to the case of general mixed-integer programs are also discussed.