Sökning: "conformation"

Visar resultat 16 - 20 av 171 uppsatser innehållade ordet conformation.

  1. 16. Charge transfer states at polymer solar cell interfaces : Insights from atomic-scale modeling

    Master-uppsats, Karlstads universitet/Institutionen för ingenjörsvetenskap och fysik (from 2013)

    Författare :Rickard Svensson; [2022]
    Nyckelord :organic solar cells; OSC; polymer; interface; charge transfer; non-fullerene acceptor; PYT; PBDB-T; DFT; TD-DFT; conformation; alkyl groups; methylation; HOMO; LUMO; FMO; NTO; UV-Vis; DOS; exciton; exciton binding energy; dipole moment; open-circuit voltage; organiska solceller; OSC; polymer; gränssnitt; laddningsöverföring; icke-fullerenacceptor; PYT; PBDB-T; DFT; TD-DFT; konformation; alkylgrupper; metylering; HOMO; LUMO; FMO; NTO; UV-Vis; DOS; exciton; excitonbindningsenergi; dipolmoment; tomgångsspänning;

    Sammanfattning : Organic solar cells (OSCs) based on non-fullerene acceptors (NFAs) have attracted a great deal of attention in recent years due to their rapidly increasing efficiency and enormous potential. In this work, the optical and electronic properties of systems containing the very promising non-fullerene acceptor PYT have been thoroughly studied with the use of the density functional theory (DFT) and the time-dependent density functional theory (TDDFT). LÄS MER

  3. 17. Ion specific effects in polymer conformation

    Kandidat-uppsats, KTH/Tillämpad fysikalisk kemi

    Författare :Lovisa Svanholm; Anna Köttö; Samuel Deuda Lundkvist; [2021]
    Nyckelord :Poly N-isopropylacrylamid ; PNIPAM; pre-transitional chain collapse; ion specific effects; Hoffmeister series; LCST; diffusion NMR; self-diffusion NMR; fractionation; kosmotropes; chaotropes; inversion recovery experiment;

    Sammanfattning : It is well known that ions affect polymers in specific ways not solely based on electric charge, usually referred to as the Hoffmeister effect or ion specific effects. Poly(N-isopropylacrylamid) (PNIPAM) is a thermosensitive polymer with a LCST at 32℃. LÄS MER

  4. 18. Investigating Minor States of the Oncoprotein N-MYC, with Focus on Proline Cis/Trans Isomerisation using NMR Spectroscopy

    Master-uppsats, Linköpings universitet/Institutionen för fysik, kemi och biologi

    Författare :Frida Haugskott; [2021]
    Nyckelord :Myc; N-Myc; Intrinsically Disordered protein IDP ; Proline; cis-trans isomerisation; minor conformation; NMR; cancer;

    Sammanfattning : MYC is a family of three regulator genes that codes for transcription factors. Expression of Myc proteins from MYC genes is found to be deregulated in 70 % of all cancer forms. The three human homologs C-Myc, N-Myc and L-Myc are mainly associated with cancer in the lymphatic system, nerve tissues and lung cancer, respectively. LÄS MER

  5. 19. Evaluating a coarse-grained IDP-model for structure and dynamics

    Kandidat-uppsats, Lunds universitet/Biofysikalisk kemi

    Författare :Louise Kalander; [2021]
    Nyckelord :IDP; Intrinsically disordered proteins; Histatin 5; Simulation; Biophysical chemistry; Chemistry;

    Sammanfattning : In this study a coarse-grained model of intrinsically disordered proteins (IDPs) is evaluated to determine whether the model is suitable to use for analyzing the structure and dynamics of IDPs. IDPs are proteins that lack a stable tertiary structure which gives them a flexible structure. LÄS MER

  7. 20. Characterization of Alcohol Modulation of a Pentameric Ligand-gated Ion Channel with Electrophysiology and Molecular Dynamics Simulations

    Master-uppsats, KTH/Tillämpad fysik

    Författare :Sabina Gutheim; [2021]
    Nyckelord :Biophysics; Electrophysiology; MD simulations; Ligand-gated ion channels; GLIC; Ethanol modulation; Biofysik; Elektrofysiologi; MDsimuleringar; Pentameriska ligandstyrda jonkanaler; GLIC; Etanolmodulering;

    Sammanfattning : Pentameric ligand-gated ion channels (pLGICs) are membrane receptors that play a crucial role in every living organism. The pLGIC protein structure forms a pore through the membrane of a cell that can let specific ions pass through, upon activation by endogenous agonists. LÄS MER