Equilibrium constants and free energies in unfolding of proteins in urea solutions

A novel thermodynamic approach to the reversible unfolding of proteins in aqueous urea solutions has been developed based on the premise that urea ligands are bound cooperatively to the macromolecule. When successive stoichiometric binding constants have values larger than expected from statistical effects, an equation for moles of bound urea can be derived that contains imaginary terms. For a very steep unfolding curve, one can then show that the fraction of protein unfolded, B̄, depends on the square of the urea concentration, U, and is given by \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \setlength{\oddsidemargin}{-69pt} \begin{document} \begin{equation*}\bar {B}=\frac{{\mathit{A}}^{{\mathit{2}}}_{{\mathit{1}}}{\mathit{e}}^{{\mathrm{{\lambda}}}n\bar {B}}{\mathit{U}}^{{\mathit{2}}}}{{\mathrm{1\hspace{.167em}+\hspace{.167em}}}{\mathit{A}}^{{\mathrm{2}}}_{{\mathrm{1}}}{\mathit{e}}^{{\mathrm{{\lambda}}}\bar {B}}{\mathit{U}}^{{\mathrm{2}}}}{\mathrm{.}}\end{equation*}\end{document} A12 is the binding constant as B̄→ 0, and λ is a parameter that reflects the augmentation in affinities of protein for urea as the moles bound increases to the saturation number, n. This equation provides an analytic expression that reproduces the unfolding curve with good precision, suggests a simple linear graphical procedure for evaluating A12 and λ, and leads to the appropriate standard free energy changes. The calculated ΔG° values reflect the coupling of urea binding with unfolding of the protein. Some possible implications of this analysis to protein folding in vivo are described.

Numerical resolution of Emden's equation using Adomian polynomials

Purpose: In this paper the authors aim to show the advantages of using the decomposition method introduced by Adomian to solve Emden's equation, a classical non‐linear equation that appears in the study of the thermal behaviour of a spherical cloud and of the gravitational potential of a polytropic fluid at hydrostatic equilibrium. Design/methodology/approach: In their work, the authors first review Emden's equation and its possible solutions using the Frobenius and power series methods; then, Adomian polynomials are introduced. Afterwards, Emden's equation is solved using Adomian's decomposition method and, finally, they conclude with a comparison of the solution given by Adomian's method with the solution obtained by the other methods, for certain cases where the exact solution is known. Findings: Solving Emden's equation for n in the interval [0, 5] is very interesting for several scientific applications, such as astronomy. However, the exact solution is known only for n=0, n=1 and n=5. The experiments show that Adomian's method achieves an approximate solution which overlaps with the exact solution when n=0, and that coincides with the Taylor expansion of the exact solutions for n=1 and n=5. As a result, the authors obtained quite satisfactory results from their proposal. Originality/value: The main classical methods for obtaining approximate solutions of Emden's equation have serious computational drawbacks. The authors make a new, efficient numerical implementation for solving this equation, constructing iteratively the Adomian polynomials, which leads to a solution of Emden's equation that extends the range of variation of parameter n compared to the solutions given by both the Frobenius and the power series methods.

Solutions of electrolytes, with particular application to qualitative analysis,

"International atomic weights, 1929" on lining-paper.

A Kinetic Vlasov Model for Plasma Simulation Using Discontinuous Galerkin Method on Many-Core Architectures

Thesis (Ph.D.)--University of Washington, 2016-03

Numerical modelling of thermal effects in rats due to high-field magnetic resonance imaging (0.5-1 GHz)

A finite-difference time-domain (FDTD) thermal model has been developed to compute the temperature elevation in the Sprague Dawley rat due to electromagnetic energy deposition in high-field magnetic resonance imaging (MRI). The field strengths examined ranged from 11.75-23.5 T (corresponding to H-1 resonances of 0.5-1 GHz) and an N-stub birdcage resonator was used to both transmit radio-frequency energy and receive the MRI signals. With an in-plane resolution of 1.95 mm, the inhomogeneous rat phantom forms a segmented model of 12 different tissue types, each having its electrical and thermal parameters assigned. The steady-state temperature distribution was calculated using a Pennes 'bioheat' approach. The numerical algorithm used to calculate the induced temperature distribution has been successfully validated against analytical solutions in the form of simplified spherical models with electrical and thermal properties of rat muscle. As well as assisting with the design of MRI experiments and apparatus, the numerical procedures developed in this study could help in future research and design of tumour-treating hyperthermia applicators to be used on rats in vivo.

Numerical simulation of stochastic ordinary differential equations in biomathematical modelling

In this work we discuss the effects of white and coloured noise perturbations on the parameters of a mathematical model of bacteriophage infection introduced by Beretta and Kuang in [Math. Biosc. 149 (1998) 57]. We numerically simulate the strong solutions of the resulting systems of stochastic ordinary differential equations (SDEs), with respect to the global error, by means of numerical methods of both Euler-Taylor expansion and stochastic Runge-Kutta type. (C) 2003 IMACS. Published by Elsevier B.V. All rights reserved.

Existence of solutions to some equilibrium problems

The concept of a monotone family of functions, which need not be countable, and the solution of an equilibrium problem associated with the family are introduced. A fixed-point theorem is applied to prove the existence of solutions to the problem.

The representation of majorities and minorities in the British press: A content analytic approach

A content analysis examined the way majorities and minorities are represented in the British press. An analysis of the headlines of five British newspapers, over a period of five years, revealed that the words 'majority' and 'minority' appeared 658 times. Majority headlines were most frequent (66%), more likely to emphasize the numerical size of the majority, to link majority status with political groups, to be described with positive evaluations, and to cover political issues. By contrast, minority headlines were less frequent (34%), more likely to link minority status with ethnic groups and to other social issues, and less likely to be described with positive evaluations. The implications of examining how real-life majorities and minorities are represented for our understanding of experimental research are discussed. Copyright (C) 2004 John Wiley Sons, Ltd.

Modelling trickle irrigation: Comparison of analytical and numerical models for estimation of wetting front position with time

Irrigation practices that are profligate in their use of water have come under closer scrutiny by water managers and the public. Trickle irrigation has the propensity to increase water use efficiency but only if the system is designed to meet the soil and plant conditions. Recently we have provided a software tool, WetUp (http://www.clw.csiro.au/products/wetup/), to calculate the wetting patterns from trickle irrigation emitters. WetUp uses an analytical solution to calculate the wetted perimeter for both buried and surface emitters. This analytical solution has a number of assumptions, two of which are that the wetting front is defined by water content at which the hydraulic conductivity (K) is I mm day(-1) and that the flow occurs from a point source. Here we compare the wetting patterns calculated with a 2-dimensional numerical model, HYDRUS2D, for solving the water flow into typical soils with the analytical solution. The results show that the wetting patterns are similar, except when the soil properties result in the assumption of a point source no longer being a good description of the flow regime. Difficulties were also experienced with getting stable solutions with HYDRUS2D for soils with low hydraulic conductivities. (c) 2005 Elsevier Ltd. All rights reserved.

The representation of majorities and minorities in the British Press:a content analytic approach

A content analysis examined the way majorities and minorities are represented in the British press. An analysis of the headlines of five British newspapers, over a period of five years, revealed that the words ‘majority’ and ‘minority’ appeared 658 times. Majority headlines were most frequent (66% ), more likely to emphasize the numerical size of the majority, to link majority status with political groups, to be described with positive evaluations, and to cover political issues. By contrast, minority headlines were less frequent (34%), more likely to link minority status with ethnic groups and to other social issues, and less likely to be described with positive evaluations. The implications of examining how real-life majorities and minorities are represented for our understanding of experimental research are discussed.

Numerical modelling of dispersion managed soliton transmission

This thesis presents the results of numerical modelling of the propagation of dispersion managed solitons. The theory of optical pulse propagation in single mode optical fibre is introduced specifically looking at the use of optical solitons for fibre communications. The numerical technique used to solve the nonlinear Schrödinger equation is also introduced. The recent developments in the use of dispersion managed solitons are reviewed before the numerical results are presented. The work in this thesis covers two main areas; (i) the use of a saturable absorber to control the propagation of dispersion managed solutions and (ii) the upgrade of the installed standard fibre network to higher data rates through the use of solitons and dispersion management. Saturable absorbe can be used to suppress the build up of noise and dispersive radiation in soliton transmission lines. The use of saturable absorbers in conjunction with dispersion management has been investigated both as a single pulse and for the transmission of a 10Gbit/s data pattern. It is found that this system supports a new regime of stable soliton pulses with significantly increased powers. The upgrade of the installed standard fibre network to higher data rates through the use of fibre amplifiers and dispersion management is of increasing interest. In this thesis the propagation of data at both 10Gbit/s and 40Gbit/s is studied. Propagation over transoceanic distances is shown to be possible for 10Gbit/s transmission and for more than 2000km at 40Gbit/s. The contribution of dispersion managed solitons in the future of optical communications is discussed in the thesis conclusions.

A preliminary study into emergent behaviours in a lattice of interacting nonlinear resonators and oscillators

Future sensor arrays will be composed of interacting nonlinear components with complex behaviours with no known analytic solutions. This paper provides a preliminary insight into the expected behaviour through numerical and analytical analysis. Specically, the complex behaviour of a periodically driven nonlinear Duffing resonator coupled elastically to a van der Pol oscillator is investigated as a building block in a 2D lattice of such units with local connectivity. An analytic treatment of the 2-device unit is provided through a two-time-scales approach and the stability of the complex dynamic motion is analysed. The pattern formation characteristics of a 2D lattice composed of these units coupled together through nearest neighbour interactions is analysed numerically for parameters appropriate to a physical realisation through MEMS devices. The emergent patterns of global and cluster synchronisation are investigated with respect to system parameters and lattice size.

Relationship status and identity construction in heterosexual women:A discourse analytic and personal construct study

This thesis reports the findings of three studies examining relationship status and identity construction in the talk of heterosexual women, from a feminist and social constructionist perspective. Semi-structured interviews were conducted with 12 women in study 1 and 13 women for study 2, between the ages of twenty and eighty-seven, discussing their experiences of relationships. All interviews were transcribed and analysed using discourse analysis, by hand and using the Nudist 6 program. The resulting themes create distinct age-related marital status expectations. Unmarried women were aware they had to marry by a ‘certain age’ or face a ‘lonely spinsterhood’. Through marriage women gained a socially accepted position associated with responsibility for others, self-sacrifice, a home-focused lifestyle and relational identification. Divorce was constructed as the consequence of personal faults and poor relationship care, reassuring the married of their own control over their status. Older unmarried women were constructed as deviant and pitiable, occupying social purgatory as a result of transgressing these valued conventions. Study 3 used repertory grid tasks, with 33 women, analysing transcripts and notes alongside numerical data using Web Grid II internet analysis tool, to produce principle components maps demonstrating the relationships between relationship terms and statuses. This study illuminated the consistency with which women of different ages and status saw marriage as their ideal living situation and outlined the domestic responsibilities associated. Spinsters and single-again women were defined primarily by their lack of marriage and by loneliness. This highlighted the devalued position of older unmarried women. The results of these studies indicated a consistent set of age-related expectations of relationship status, acknowledged by women and reinforced by their families and friends, which render many unmarried women deviant and fail to acknowledge the potential variety of women’s ways of living.

Parabolic optical pulses under the action of the third-order dispersion

Recent developments in nonlinear optics reveal an interesting class of pulses with a parabolic intensity profile in the energy-containing core and a linear frequency chirp that can propagate in a fiber with normal group-velocity dispersion. Parabolic pulses propagate in a stable selfsimilar manner, holding certain relations (scaling) between pulse power, width, and chirp parameter. In the additional presence of linear amplification, they enjoy the remarkable property of representing a common asymptotic state (or attractor) for arbitrary initial conditions. Analytically, self-similar (SS) parabolic pulses can be found as asymptotic, approximate solutions of the nonlinear Schr¨odinger equation (NLSE) with gain in the semi-classical (largeamplitude/small-dispersion) limit. By analogy with the well-known stable dynamics of solitary waves - solitons, these SS parabolic pulses have come to be known as similaritons. In practical fiber systems, inherent third-order dispersion (TOD) in the fiber always introduces a certain degree of asymmetry in the structure of the propagating pulse, eventually leading to pulse break-up. To date, there is no analytic theory of parabolic pulses under the action of TOD. Here, we develop aWKB perturbation analysis that describes the effect of weak TOD on the parabolic pulse solution of the NLSE in a fiber gain medium. The induced perturbation in phase and amplitude can be found to any order. The theoretical model predicts with sufficient accuracy the pulse structural changes induced by TOD, which are observed through direct numerical NLSE simulations.

A perturbative analysis of dispersion-managed solitons

We study soliton solutions of the path-averaged propagation equation governing the transmission of dispersion-managed (DM) optical pulses in the (practical) limit when residual dispersion and nonlinearity only slightly affect the pulse dynamics over one compensation period. In the case of small dispersion map strengths, the averaged pulse dynamics is governed by a perturbed form of the nonlinear Schrödinger equation; applying a perturbation theory – elsewhere developed – based on inverse scattering theory, we derive an analytic expression for the envelope of the DM soliton. This expression correctly predicts the power enhancement arising from the dispersion management. Theoretical results are verified by direct numerical simulations.