An evolutionary complex systems decision-support tool for the management of operations

Purpose - The purpose of this is to add both to the development of complex systems thinking in the subject area of operations and production management and to the limited number of applications of computational models and simulations from the science of complex systems. The latter potentially offer helpful decision-support tools for operations and production managers. Design/methodology/approach - A mechanical engineering firm was used as a case study where a combined qualitative and quantitative methodological approach was employed to extract the required data from four senior managers. Company performance measures as well as firm technologies, practices and policies, and their relation and interaction with one another, were elicited. The data were subjected to an evolutionary complex systems (ECS) model resulting in a series of simulations. Findings - The findings highlighted the effects of the diversity in management decision making on the firm's evolutionary trajectory. The CEO appeared to have the most balanced view of the firm, closely followed by the marketing and research and development managers. The manufacturing manager's responses led to the most extreme evolutionary trajectory where the integrity of the entire firm came into question particularly when considering how employees were utilised. Research limitations/implications - By drawing directly from the opinions and views of managers, rather than from logical "if-then" rules and averaged mathematical representations of agents that characterise agent-based and other self-organisational models, this work builds on previous applications by capturing a micro-level description of diversity that has been problematical both in theory and application. Practical implications - This approach can be used as a decision-support tool for operations and other managers providing a forum with which to explore: the strengths, weaknesses and consequences of different decision-making capacities within the firm; the introduction of new manufacturing technologies, practices and policies; and the different evolutionary trajectories that a firm can take. Originality/value - With the inclusion of "micro-diversity", ECS modelling moves beyond the self-organisational models that populate the literature but has not as yet produced a great many practical simulation results. This work is a step in that direction

Exploration for volcanogenic sulphide mineralisation at Benglog, north Wales

Exploration for volcanogenic sulphide mineralisation around Benglog is one of three investigations designed to assess the metallogenic potential of the Ordovician Aran Volcanic Group. Detailed geological mapping in the Benglog area enabled an interpretation of the volcanic environment, critical to such an assessment, to be made. The eruptive rocks are acid and basic in composition; the acid rocks are mostly ash-flow tuffs derived from outside the area, whereas the basic rocks have a local derivation. They are all interbedded with dark grey or black silty mudstone and were probably erupted in a submarine environment. Contemporaneous dolerite sills were intruded into wet sediment. This environment was suitable for volcanogenic exhalative sulphide deposits to form and indications of a metallogenic horizon were found at the top of the Y Fron Formation in the form of abundant pyrite, minor pyrrhotite and minor base metal enrichment. Soil samples, analysed for copper, lead and zinc, were collected and geophysical surveys were carried out along eleven east-west trending traverse lines 300 m apart across the volcanic succession. Indications were found of minor vein mineralisation at dolerite intrusion margins and locally along faults. Very high chargeability and low resistivity anomalies over mudstones did not spatially coincide with geochemical anomalies in soil, but the secondary redistribution of metals in soils and variable thickness of overburden precluded confident interpretation of the source of many soil anomalies. Geochemical drainage data, in conjunction with rock analyses, show strong barium enrichment in mudstones which could be volcanogenic in origin but related to two separate eruptive episodes. The findings of the survey were inconclusive. An environment suitable for the formation of volcanogenic exhalative sulphide deposits was established, but the geochemical and geophysical surveys located only minor vein mineralisation and tenuous indications of other styles of mineralisation. Recommendations are made for further work

A dedicated haem lyase is required for the maturation of a novel bacterial cytochrome c with unconventional covalent haem binding

In bacterial c-type cytochromes, the haem cofactor is covalently attached via two cysteine residues organized in a haem c-binding motif. Here, a novel octa-haem c protein, MccA, is described that contains only seven conventional haem c-binding motifs (CXXCH), in addition to several single cysteine residues and a conserved CH signature. Mass spectrometric analysis of purified MccA from Wolinella succinogenes suggests that two of the single cysteine residues are actually part of an unprecedented CX15CH sequence involved in haem c binding. Spectroscopic characterization of MccA identified an unusual high-potential haem c with a red-shifted absorption maximum, not unlike that of certain eukaryotic cytochromes c that exceptionally bind haem via only one thioether bridge. A haem lyase gene was found to be specifically required for the maturation of MccA in W. succinogenes. Equivalent haem lyase-encoding genes belonging to either the bacterial cytochrome c biogenesis system I or II are present in the vicinity of every known mccA gene suggesting a dedicated cytochrome c maturation pathway. The results necessitate reconsideration of computer-based prediction of putative haem c-binding motifs in bacterial proteomes

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Large-N supersymmetric beta-functions

We present calculations of the leading and O(1/N) terms in a large-N expansion of the \beta-functions for various supersymmetric theories: a Wess-Zumino model, supersymmetric QED and a non-abelian supersymmetric gauge theory. In all cases N is the number of a class of the chiral superfields in the theory.Comment: 9 pages, tex, five figures. Uses harvmac and epsf. Revised to include a discussion of higher loop DRED ambiguities. Some references added, and notation clarifie

Production of Sactipeptides in Escherichia coli: Probing the Substrate Promiscuity of Subtilosin A Biosynthesis

Sactipeptides are peptide-derived natural products that are processed by remarkable, radical-mediated cysteine sulfur to α-carbon coupling reactions. The resulting sactionine thioether linkages give rise to the unique defined structures and concomitant biological activities of sactipeptides. An E. coli heterologous expression system, based on the biosynthesis of one such sactipeptide, subtilosin A, is described and this expression system is exploited to probe the promiscuity of the subtilosin A sactionine bond-forming enzyme, AlbA. These efforts allowed the facile expression and isolation of a small library of mutant sactipeptides based on the subtilosin A precursor peptide, demonstrating broad substrate promiscuity where none was previously known. Importantly, we show that the positions of the sactionine linkages can be moved, giving rise to new, unnatural sactipeptide structures. E. coli heterologous expression also allowed incorporation of unnatural amino acids into sactipeptides by means of amber-suppression technology, potentially opening up new chemistry and new applications for unnatural sactipeptides

CBR Anisotropy from Primordial Gravitational Waves in Two-Component Inflationary Cosmology

We examine stochastic temperature fluctuations of the cosmic background radiation (CBR) arising via the Sachs-Wolfe effect from gravitational wave perturbations produced in the early universe. We consider spatially flat, perturbed FRW models that begin with an inflationary phase, followed by a mixed phase containing both radiation and dust. The scale factor during the mixed phase takes the form $a(\eta)=c_1\eta^2+c_2\eta+c_3$, where $c_i$ are constants. During the mixed phase the universe smoothly transforms from being radiation to dust dominated. We find analytic expressions for the graviton mode function during the mixed phase in terms of spheroidal wave functions. This mode function is used to find an analytic expression for the multipole moments $\langle a_l^2\rangle$ of the two-point angular correlation function $C(\gamma)$ for the CBR anisotropy. The analytic expression for the multipole moments is written in terms of two integrals, which are evaluated numerically. The results are compared to multipoles calculated for models that are {\it completely} dust dominated at last-scattering. We find that the multipoles $\langle a_l^2\rangle$ of the CBR temperature perturbations for $l>10$ are significantly larger for a universe that contains both radiation and dust at last-scattering. We compare our results with recent, similar numerical work and find good agreement. The spheroidal wave functions may have applications to other problems of cosmological interest.Comment: 28 pgs + 6 postscript figures, RevTe

Superconductivity near the vibrational mode instability in MgCNi3

To understand the role of electron-phonon interaction in superconducting MgCNi$_{3}$ we have performed density functional based linear response calculations of its lattice dynamical properties. A large coupling constant $\lambda$= 1.51 is predicted and contributing phonons are identified as displacements of Ni atoms towards octahedral interstitials of the perovskite lattice. Instabilities found for some vibrational modes emphasize the role of anharmonic effects in resolving experimental controversies.Comment: 4 pages, 4 eps figures, replaces the older versio

Density Functional Study of Cubic to Rhombohedral Transition in α\alpha-AlF3_3

Under heating, $\alpha$-AlF$_3$ undergoes a structural phase transition from rhombohedral to cubic at temperature $T$ around 730 K. The density functional method is used to examine the $T$=0 energy surface in the structural parameter space, and finds the minimum in good agreement with the observed rhombohedral structure. The energy surface and electronic wave-functions at the minimum are then used to calculate properties including density of states, $\Gamma$-point phonon modes, and the dielectric function. The dipole formed at each fluorine ion in the low temperature phase is also calculated, and is used in a classical electrostatic picture to examine possible antiferroelectric aspects of this phase transition.Comment: A 6-page manuscript with 4 figures and 4 table

Dynamics of ions in the selectivity filter of the KcsA channel

The statistical and dynamical properties of ions in the selectivity filter of the KcsA ion channel are considered on the basis of molecular dynamics (MD) simulations of the KcsA protein embedded in a lipid membrane surrounded by an ionic solution. A new approach to the derivation of a Brownian dynamics (BD) model of ion permeation through the filter is discussed, based on unbiased MD simulations. It is shown that depending on additional assumptions, ion’s dynamics can be described either by under-damped Langevin equation with constant damping and white noise or by Langevin equation with a fractional memory kernel. A comparison of the potential of the mean force derived from unbiased MD simulations with the potential produced by the umbrella sampling method demonstrates significant differences in these potentials. The origin of these differences is an open question that requires further clarifications