Sökning: "Melting point"

Visar resultat 1 - 5 av 122 avhandlingar innehållade orden Melting point.

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

    Författare :Carola Wassvik; Per Artursson; Anders G Holmén; Valentino J. Stella; Uppsala universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

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

    Författare :Jan Westergren; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; melting; energy transfer; density of states; metal clusters; cooling; collision; phase barrier; sticking;

    Sammanfattning : 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. LÄS MER

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

    Författare :Yang Huaiyu; Åke Rasmuson; Joop ter Horst; KTH; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL 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-Science SeRC ; SRA - E-vetenskap SeRC ;

    Sammanfattning : 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. LÄS MER

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

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

    Sammanfattning : 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. LÄS MER

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

    Författare :Christel A. S. Bergström; Per Artursson; Han van de Waterbeemd; Uppsala universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER