Sökning: "solvation"

Visar resultat 26 - 30 av 108 avhandlingar innehållade ordet solvation.

1. 26. Spectroscopic studies of solvation and adsorption properties of PVP

   Författare :Ildikó Száraz; Luleå tekniska universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry of Interfaces; Gränsytors kemi;

   Sammanfattning : The adsorption mechanism of 1-vinyl-2-pyrrolidone (VP), poly(1-vinyl-2- pyrrolidone) (PVP) and azelaic acid on synthetic gamma-aluminium oxide surfaces was investigated using FT-IR, FT-Raman, UV, 1H and 13C NMR spectroscopy. (Liquid-solid state) As a first step the solvation of VP and PVP in solvents of varying polarity, specifically water, ethylene glycol (EG), chloroform and carbon tetrachloride, was studied. LÄS MER

3. 27. Light interactions in flexible conjugated dyes

   Författare :Jonas Sjöqvist; Patrick Norman; Per-Olof Åstrand; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; force field; molecular dynamics; QM MM; solvation effects; absorption spectroscopy; fluorescence spectrosocopy; infrared spectroscopy; Raman spectroscopy; stokes shift; conjugated polyelectrolytes;

   Sammanfattning : In this thesis methodological developments have been made for the description of flexible conjugated dyes in room temperature spectrum calculations.The methods in question target increased accuracy and efficiency by combining classical molecular dynamics (MD) simulations with time-dependent response theory spectrum calculations. LÄS MER

4. 28. Luminescence properties of flexible conjugated dyes

   Författare :Jonas Sjöqvist; Patrick Norman; Mikael Lindgren; Jacob Kongsted; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; force field; molecular dynamics; linear absorption; QM MM; absorption spectrum; emission spectrum; water solvation; stokes shift;

   Sammanfattning : In this licentiate thesis the luminescence properties of two flexible conjugated dyes have been studied. The first, Pt1, is a platinum(II) acetylide chromophore used in optical power limiting materials. LÄS MER

5. 29. Water and protein solutions studied by field-dependent magnetic relaxation

   Författare :Kristofer Modig; Biofysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; relaxation; protein solvation; protein dynamics; protein denaturation; oxytocin; magnetic relaxation dispersion; nuclear magnetic resonance; lipid-binding protein; hydration; beta-lactoglobulin; BPTI; shielding anisotropy; water; Molecular biophysics; Molekylär biofysik;

   Sammanfattning : In the work presented, nuclear magnetic resonance (NMR) relaxation is used to study wide range of systems. The thesis concerns solvent interactions studied with relaxation techniques that involve measurements at many fields, which allows the separation of individual relaxation mechanisms. LÄS MER

7. 30. In silico methods to prioritize chemicals with high exposure potential

   Författare :Efstathios Reppas Chrysovitsinos; Matthew MacLeod; Anna Sobek; Michael Matthies; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; free energy relationship; solvation parameters; polymers; materials; partitioning; octanol; Arctic contaminants; AMAP; POPs; Stockholm Convention; vPvB; REACH; OECD; QSAR; planetary boundaries; persistence; bioaccumulation; long-range transport; Applied Environmental Science; tillämpad miljövetenskap;

   Sammanfattning : Chemicals offer a wide range of desired functions and are used in a variety of consumer goods and industrial sectors. The number of individual synthetic organic chemicals produced and the total global chemical production volume are increasing. LÄS MER