Sökning: "molekylmodellering"

Hittade 2 uppsatser innehållade ordet molekylmodellering.

1. 1. Design och syntes av potentiella inhibitorer för galektin-1

   Kandidat-uppsats, Lunds universitet/Kemiska institutionen

   Författare :Victoria Ullbin; [2022]
   Nyckelord :galektin-1; inhibitor; galektin; cancer; organic chemistry; Chemistry;

   Sammanfattning : Galectin-1 is a member of the carbohydrate-binding protein family galectins. Galectins are involved in the immune system. However, in cancer growth, galectin-1 is overproduced to not make the immune system respond. Therefore, inhibitors of the protein were synthesized to make the immune system approach the cancer and respond. LÄS MER

3. 2. Simulations of a Ruthenium Complex and the Iodide/Triiodide Redox Couple in Aqueous Solution: Solvation and Electronic Structure

   Magister-uppsats, Institutionen för fysik och astronomi

   Författare :Ida Josefsson; [2010]
   Nyckelord :Dye-sensitized solar cells; molecular modeling; quantum chemistry; molecular dynamics; photoelectron spectroscopy; Färgämnessensiterade solceller; molekylmodellering; kvantkemi; molekyldynamik; fotoelektronspektroskopi;

   Sammanfattning : In dye-sensitized solar cells, the functions of light absorption and charge transport are separated. A photosensitive ruthenium-polypyridine dye in the cell absorbs light, injects an electron to a semiconductor and is then regenerated by a redox couple, typically iodide/triiodide. LÄS MER