Search for dissertations about: "melting point"

Showing result 1 - 5 of 108 swedish dissertations containing the words melting point.

  1. 1. Computational Analysis of Aqueous Drug Solubility – Influence of the Solid State

    Author : Carola Wassvik; Per Artursson; Anders G Holmén; Valentino J. Stella; Uppsala universitet; []
    Keywords : Pharmaceutics; intrinsic solubility; solubility prediction; drug solubility; solid state; melting point; enthalpy of melting; entropy of melting; solvation; free energy of hydration; QSPR; multivariate analysis; PCA; PLS; Galenisk farmaci;

    Abstract : Aqueous solubility is a key parameter influencing the bioavailability of drugs and drug candidates. In this thesis computational models for the prediction of aqueous drug solubility were explored. READ MORE

  2. 2. Simulation of the Melting and Cooling of Palladium Clusters

    Author : Jan Westergren; Chalmers University of Technology; []
    Keywords : melting; energy transfer; density of states; metal clusters; cooling; collision; phase barrier; sticking;

    Abstract : The thermal behaviour of palladium clusters has been investigated using Monte Carlo simulation in various ensembles. Furthermore the energy transfer between palladium clusters and rare gas atoms has been calculated in simulated collisions aiming for a calculation of the cooling of clusters in a rare gas atmosphere. READ MORE

  3. 3. Crystallization of Parabens : Thermodynamics, Nucleation and Processing

    Author : Yang Huaiyu; Åke Rasmuson; Joop ter Horst; KTH; []
    Keywords : MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; NATURAL SCIENCES; MEDICAL AND HEALTH SCIENCES; Nucleation; Induction time; Interfacial energy; Ethyl paraben; Propyl paraben; Butyl paraben; Methanol; Ethanol; Propanol; Acetone; Ethyl acetate; Solubility; Thermodynamics; Activity; Activity coefficient; Liquid-liquid phase separation; Ternary phase diagram; Melting point; Boiling point; Polarity; Cooling crystallization; Sandwich crystal; Porous; Particle Vision and Measurement; Focused Beam Reflectance Method; Infrared Spectroscopy; Confocal Raman Microscopy; X-Ray Diffraction; Differential Scanning Calorimetry; SRA - E-vetenskap SeRC ; SRA - E-Science SeRC ;

    Abstract : In this work, the solubility of butyl paraben in 7 pure solvents and in 5 different ethanol-water mixtures has been determined from 1 ˚C to 50 ˚C. The solubility of ethyl paraben and propyl paraben in various solvents has been determined at 10 ˚C. READ MORE

  4. 4. Statistical Physics of DNA: Melting and Confinement Effects

    Author : Michaela Reiter-Schad; Beräkningsbiologi och biologisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; biopolymers; DNA melting; DNA confinement; random walk; Fysicumarkivet A:2015:Reiter-Scad;

    Abstract : Investigation of single macromolecules makes it possible to gain insight into and characterize important biological processes. DNA as the molecule of life is of special interest here. READ MORE

  5. 5. Computational and Experimental Models for the Prediction of Intestinal Drug Solubility and Absorption

    Author : Christel A. S. Bergström; Per Artursson; Han van de Waterbeemd; Uppsala universitet; []
    Keywords : MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutics; aqueous drug solubility; melting point; intestinal drug permeability; pH-dependent solubility; multivariate data analysis; molecular descriptors; molecular surface area; in silico modeling; drug absorption; Galenisk farmaci; Pharmaceutics; Galenisk farmaci;

    Abstract : New effective experimental techniques in medicinal chemistry and pharmacology have resulted in a vast increase in the number of pharmacologically interesting compounds. However, the number of new drugs undergoing clinical trial has not augmented at the same pace, which in part has been attributed to poor absorption of the compounds. READ MORE