Evaluation of the enantiomeric selectivity in the chiral ligand-exchange chromatography of amino acids by a computational model

The chromatographic resolution of enantiomeric amino acids is accomplished on a reversed phase column using aqueous mobile phase containing the chiral reagent N,N-dimethyl-S-phenylalanine-Cu(II). The separation is a result of the whole interaction between the diastereomeric complex surface and the mixed stationary phase realized by the dynamic coating of the RP-18 carbon chains layer. The elution order seems to be related to the different water coordination capability on copper ion in the formation of the mixed ternary complexes.     

On the cost of approximating all roots of a complex polynomial

This work examines the computational complexity of a homotopy algorithm in approximating all roots of a complex polynomialf. It is shown that, probabilistically, monotonic convergence to each of the roots occurs after a determined number of steps. Moreover, in all subsequent steps, each rootz is approximated by a complex numberx, where ifx ₀ =x, x _j =x _j–1 –f(x _j–1)/f(x _j–1),j = 1, 2,, then |x _j –z| < (1/|x ₀ –z|)|x _j–1–z|².     

Computational studies on glyceraldehyde and glycine Maillard reaction—I

Mechanisms for the initial stage of glyceraldehyde and glycine Maillard reaction under different pH conditions have been proposed, following usually the Hodge-scheme. Computations have been performed on the mechanisms at the standard state to test the possibility of the formation of different compounds, through evaluating the changes in Gibb's free energy during the reaction. Electronic energy changes during the reaction have also been evaluated. Glyceraldehyde+deprotonated glycine reaction has been found to be the most favorable for the formation of the Amadori rearrangement products in both gaseous and aqueous states. Due to the possibility of the production of both enol and keto forms of the Amadori rearrangement product, the rate of browning in glyceraldehyde+deprotonated glycine reaction is assumed to be faster than the others. Glyceraldehyde+unionized glycine reaction has been found to be more plausible for the formation of the keto form of the Amadori rearrangement products, particularly, in the gaseous phase. Glyceraldehyde+protonated glycine and glyceraldehyde+glycine zwitterion reactions are not favorable for the formation of the Amadori rearrangement products. Formation of hydroxyacetaldehyde from glyceralaldehyde, as one of the possible C2-fragmentation product, has been found to be favorable in the aqueous state.     

On a class of least-element complementarity problems

The present paper studies the linear complementarity problem of finding vectorsx andy inR ₊ ⁿ such thatc + Dx + y 0,b – x 0 andx ^T (c + Dx + y) = y ^T (b – x) = 0 whereD is aZ-matrix andb > 0. Complementarity problems of this nature arise, for example, from the minimization of certain quadratic functions subject to upper and lower bounds on the variables. Two least-element characterizations of solutions to the above linear complementarity problem are established first. Next, a new and direct method to solve this class of problems, which depends on the idea of least-element solution is presented. Finally, applications and computational experience with its implementation are discussed.Research partially supported by the National Science Foundation Grant MCS 71-03341 A04 and the Air Force Office of Scientific Research Contract F 44620 14 C 0079.     

Computational complexity of LCPs associated with positive definite symmetric matrices

Murty in a recent paper has shown that the computational effort required to solve a linear complementarity problem (LCP), by either of the two well known complementary pivot methods is not bounded above by a polynomial in the size of the problem. In that paper, by constructing a class of LCPs—one of ordern forn 2—he has shown that to solve the problem of ordern, either of the two methods goes through 2 ⁿ pivot steps before termination.However that paper leaves it as an open question to show whether or not the same property holds if the matrix,M, in the LCP is positive definite and symmetric. The class of LCPs in whichM is positive definite and symmetric is of particular interest because of the special structure of the problems, and also because they appear in many practical applications.In this paper, we study the computational growth of each of the two methods to solve the LCP, (q, M), whenM is positive definite and symmetric and obtain similar results.This research is partially supported by Air Force Office of Scientific Research, Air Force Number AFOSR-78-3646. The United States Government is authorized to reproduce and distribute reprints for governmental purposes notwithstanding any copyright notation thereon.     

Determination/estimation of an optimal replacement interval under minimal repair

In this paper the problem of estimation of an optimal replacement interval for a system which is minimally repaired at failures is studied. The problem is investigated both under a parametric and a nonparametric form of the failure intensity of the system. It is assumed that observational data from n systems are available. Some asymptotic results are shown. A graphical procedure for determining/estimating an optimal replacement interval is presented. The procedure is particularly valuable for sensitivity analyses, for example with respect to the costs involved.     

Linearization of nonlinear filter generators and its application to cryptanalysis of stream ciphers

Nonlinear filter generators are commonly used as keystream generators in stream ciphers. A nonlinear filter generator utilizes a nonlinear filtering function to combine the outputs of a linear feedback shift register (LFSR) to improve the linear complexity of keystream sequences. However, the LFSR-based stream ciphers are still potentially vulnerable to algebraic attacks that recover the key from some keystream bits. Although the known algebraic attacks only require polynomial time complexity of computations, all have their own constraints. This paper uses the linearization of nonlinear filter generators to cryptanalyze LFSR-based stream ciphers. Such a method works for any nonlinear filter generators. Viewing a nonlinear filter generator as a Boolean network that evolves as an automaton through Boolean functions, we first give its linearization representation. Compared to the linearization representation in Limniotis et al. (2008), this representation requires lower spatial complexity of computations in most cases. Based on the representation, the key recoverability is analyzed via the observability of Boolean networks. An algorithm for key recovery is given as well. Compared to the exhaustive search to recover the key, using this linearization representation requires lower time complexity of computations, though it leads to exponential time complexity.     

Modelling of high-temperature dark current in multi-quantum well structures from MWIR to VLWIR

In this paper, a model to calculate the dark current of quantum well infrared photodetectors at high-temperature regime is presented. The model is derived from a positive-definite quantum probability-flux and considers thermionic emission and thermally-assisted tunnelling as mechanisms of dark current generation. Its main input data are the wave functions obtained by time-independent Schrodinger equation and it does not require empirical parameters related to the transport of carriers. By means of this model, the dark current of quantum well infrared photodetectors at high-temperature regime is investigated with respect to the temperature, the barrier width, the applied electric field and the position of the first excited state. The theoretical results are compared with experimental data obtained from lattice-matched InAlAs/InGaAs, InGaAsP/InP on InP substrate and AlGaAs/GaAs structures with rectangular wells and symmetric barriers, whose absorption peak wavelengths range from MWIR to VLWIR. The corresponding results are in a good agreement with experimental data at different temperatures and at a wide range of applied electric field.     

Evaluating impacts of fish stock enhancement and biodiversity conservation actions on the livelihoods of small‐scale fishers on the Beijiang River,China

Inappropriate development and overexploitation have seriously degraded aquatic resources in China. Stakeholders identified three fish stock enhancement and biodiversity conservation scenarios for the Beijiang River: S1, increased fish restocking; S2, no fishing season and habitat conservation; and S3, strict pollution control. Potential impacts of these actions on the livelihoods of fishers were evaluated using applied economic modeling. Baseline costs and benefits came from logbooks from 30 fishers and a survey of 90 households in three villages. The financial net benefit for a household was US$1583 (￥11,160) annually, representing a 142% and 387% return on capital and operating costs, respectively. Larger catches associated with S1 and S2 generated a net benefit of US$1651 and US$1822, respectively. Strict pollution control resulting in higher catches (+20%) and lower operating costs (?20%) would increase the net benefit by 15.9% to US$1835 annually. Pollution control would benefit other resource users and is a prerequisite for ecological restoration. Recommendations for Resource Managers

• Stringent pollution control measures are essential to conserve aquatic biodiversity and enhance the livelihoods of fishers but will require considerable public and private sector investment.
• Enhanced fish stocks in the Beijiang River could benefit poor livelihoods but may not be sufficient to lift households out of poverty, aged fishers require government assistance to diversify their livelihoods, access alternative urban employment, and survive with dignity.
• Adopting the economic modeling approach presented here could enable responsible authorities to simultaneously evaluate fish stock enhancement and biodiversity conservation options.
• Broader application of the approach presented here could help ensure small‐scale inland fisheries are managed sustainably and aquatic ecosystems are restored and protected by 2020, in line with Target 6 of the United Nations’ Convention on Biological Diversity Strategic Plan for Biodiversity.