Search for dissertations about: "Poisson-Boltzmann"

Showing result 1 - 5 of 21 swedish dissertations containing the word Poisson-Boltzmann.

  1. 1. Electrostatic Interactions in Complex Liquids : A Thermodynamic Analysis Based on the Poisson-Boltzmann Equation and the Flexible Surface Model

    University dissertation from Physical Chemistry 1, Lund University

    Author : Ingemar Carlsson; Lunds universitet.; Lund University.; [1998]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; AOT; AerosolOT; ionic surfactant; spontaneous curvature; bending modulus; bending energy; Helfrich curvature energy; fluid membrane; complex liquid; flexible surface model; micelle; counterion; Poisson-Boltzmann equation; cell model; L3 phase; sponge phas; Physical chemistry; Fysikalisk kemi;

    Abstract : The aim of this study was to analyse physico-chemical properties of some complex liquids using the Poisson-Boltzmann (PB) cell model; to extend the theory to cover bilayer systems with complex global geometry; finally to apply this new extended model to such bilayer systems. The PB cell model provides a practical tool to examine counterion association and phase behaviour for structures of simple geometries; cylindrical and spherical. READ MORE

  2. 2. Diffusion studies in gels using holographic laser interferometry

    University dissertation from Chemical Engineering 1, Lund University

    Author : Charlotte Mattisson; Lunds universitet.; Lund University.; [1999]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; chemical potential; ionic strenght; pH; cubic phase; partition coefficient; holographic laser interferometry; holography; pullulan; lysozyme; BSA; macromolecules; diffusion; gel; Poisson-Boltzmann; Chemical technology and engineering; Kemiteknik och kemisk teknologi;

    Abstract : This thesis is an investigation of the potential of holographic laser interferometry for the study of diffusion of both small solutes and macromolecules. An investigation on the importance of errors due to light deflection in refarctive index gradients showed that the magnitude of the refractive index gradients were negligible for the system investigated. READ MORE

  3. 3. A multivariate approach to characterization of drug-like molecules, proteins and the interactions between them

    University dissertation from Umeå : Kemi

    Author : Anton Lindström; Umeå universitet.; [2008]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; binding affinity; prediction; CAMD; principal component analysis PCA ; partial least squares projections to latent structures PLS ; MM-GB-SA; MM-PB-SA; docking; geometry optimization; protein secondary structure characterization; implicit solvent; generalized-Born; Poisson-Boltzmann; molecular mechanics MM ; drug discovery; bindningsaffinitet; prediktion; dockning; geometrioptimering; sekundärstruktur; matematisk vattenmodel; generalized-Born; Poisson-Boltzmann; molekylmekanik MM ; läkemedelsdesign; principal komponent analys PCA ; partial least squares projections to latent structures PLS ; MM-GB-SA; MM-PB-SA; NATURAL SCIENCES Chemistry Other chemistry; NATURVETENSKAP Kemi Övrig kemi;

    Abstract : En sjukdom kan många gånger härledas till en kaskadereaktion mellan proteiner, co-faktorer och substrat. Denna kaskadreaktion blir många gånger målet för att behandla sjukdomen med läkemedel. För att designa nya läkemedelsmoleyler används vanligen datorbaserade verktyg. READ MORE

  4. 4. On the Physical Chemistry of Kraft Lignin – Fundamentals and Applications

    University dissertation from Magnus Norgren, Mid Sweden University, SE-851 70 Sundsvall, Sweden

    Author : Magnus Norgren; Mittuniversitetet.; [2001]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES Chemistry; NATURVETENSKAP Kemi; kraft lignin; sodium taurodeoxycholate; bile acid salts; stabilisa-tion; Hofmeister series; fractals; DLCA; RLCA; self-aggregation; colloid; self-diffusion coefficients; DLVO; Poisson-Boltzmann; pKa; dissociation; macromolecule; kraft cooking; lignin; Fysikalisk kemi; Physical chemistry; cryo-TEM; light scattering; 1H PFG NMR;

    Abstract : This thesis describes the physical chemistry of softwood kraft lignin in aqueous alkaline solutions. Both fundamental and applicational aspects are discussed. Kraft lignin originates either from pulp fibres or from black liquor produced by kraft cooking. READ MORE

  5. 5. Challenges in Computational Biochemistry: Solvation and Ligand Binding

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Jens Carlsson; Uppsala universitet.; [2008]
    Keywords : Molecular biology; computer simulations; molecular dynamics; solvation free energy; Generalized-Born; Poisson-Boltzmann; ligand binding; binding free energy; linear interaction energy; binding entropy; hydration entropy; Molekylärbiologi;

    Abstract : Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding. READ MORE