Sökning: "Molecular Hydration"

Visar resultat 16 - 20 av 84 avhandlingar innehållade orden Molecular Hydration.

  1. 16. Vibrational Sum Frequency Spectroscopy Studies at the Air-Liquid Interface

    Författare :Eric Tyrode; Mark Rutland; Paul Davies; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Sum Frequency Generation; SFG; VSFS; surfactant; adsorption; water; surface structure; hydration; surface tension; fluorosurfactants; liquid-air interface; poly ethylene oxide surfactants; surface molecular orientation; acetic acid.; Surface and colloid chemistry; Yt- och kolloidkemi;

    Sammanfattning : In this thesis the structure and hydration of small organic and amphipilic compounds adsorbed at the air-liquid interface, have been studied using the nonlinear optical technique Vibrational Sum Frequency Spectroscopy (VSFS). The second order nature of the sum frequency process makes this technique particularly surface sensitive and very suitable for interfacial studies, as molecules at the surface can be distinguished even in the presence of a vast excess of the same molecules in the bulk. LÄS MER

  3. 17. Thin water and ice films on minerals : a molecular level study

    Författare :Merve Yeşilbaş; Jean-François Boily; Johannes Messinger; Grégory Lefèvre; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; water; ice; cryosalt; minerals; rocks; atmosphere; Dynamic Vapour Sorption; FTIR; cryo-FESEM; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : Minerals in Earth’s crust and suspended in the atmosphere form water or ice films as thin as a few nanometers to as thick as a few micrometers, and beyond. Mineral-bound water and ice films in terrestrial systems (e.g. LÄS MER

  4. 18. On Catalytic Mechanisms for Rational Enzyme Design Strategies

    Författare :Charlotte Kürten; Per-Olof Syrén; Rudolf Allemann; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; catalytic mechanisms; terpene cyclase; triterpene cyclase; solvent dynamics; protein hydration; thermodynamics; quantum tunneling; polycyclization; natural compounds; ? ?-hydrolase; esterase; amidase; enzyme engineering; biocatalysis; Bioteknologi; Biotechnology;

    Sammanfattning : Enzymes enable life by promoting chemical reactions that govern the metabolism of all living organisms. As green catalysts, they have been extensively used in industry. However, to reach their full potential, engineering is often required, which can benefit from a detailed understanding of the underlying reaction mechanism. LÄS MER

  5. 19. Development and Application of Molecular Modeling Methods for Structure-Based Drug Discovery

    Författare :Axel Rudling; Jens Carlsson; Phillip Biggin; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Biochemistry towards Bioinformatics; biokemi med inriktning mot bioinformatik;

    Sammanfattning : Molecular modeling is increasingly being integrated into the drug discovery process. Although computational methods are already an essential part of the process today, these techniques have vast potential to evolve and refine drug design in the future. LÄS MER

  7. 20. Protein-water interactions studied by molecular dynamics simulations

    Författare :Filip Persson; Biofysikalisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; MD simulations; NMR nuclear magnetic resonance ; MRD; water dynamics; protein dynamics; protein hydration; Amide hydrogen exchange; Internal water; compressibility;

    Sammanfattning : Most proteins have evolved to function optimally in aqueous environments, and the interactions between protein and water therefore play a fundamental role in the stability, dynamics, and function of proteins. Although we understand many details of water, we understand much less about the protein-water interface. LÄS MER