Sökning: "Caleman"

Visar resultat 1 - 5 av 13 avhandlingar innehållade ordet Caleman.

1. 1. Towards Single Molecule Imaging - Understanding Structural Transitions Using Ultrafast X-ray Sources and Computer Simulations

   Författare :Carl Caleman; Janos Hajdu; Richard Neutze; Uppsala universitet; []
   Nyckelord :Molecular biophysics; XFEL; Ultrafast Melting; InSb; Molecular Dynamics; Water Cluster; Evaporation; Secondary Electron; Photo-cathode; Electron Scattering; Energy Loss Function; Single Particle Imaging; X-ray Diffraction; Water; Ice; KI; CsI; Molekylär biofysik;

   Sammanfattning : X-ray lasers bring us into a new world in photon science by delivering extraordinarily intense beams of x-rays in very short bursts that can be more than ten billion times brighter than pulses from other x-ray sources. These lasers find applications in sciences ranging from astrophysics to structural biology, and could allow us to obtain images of single macromolecules when these are injected into the x-ray beam. LÄS MER

3. 2. Ionization Influence on the Dynamics of Simple Organic Molecules

   Författare :Tomoko Akiyama; Carl Caleman; Oscar Grånäs; Olle Björneholm; Maria Hahlin; Uppsala universitet; []
   Nyckelord :Small organic molecule; Density functional theory; bond integrity; Symmetric structure;

   Sammanfattning : This licentiate thesis is devoted to the investigation of how bonding in simple organic molecules are affected by X-ray beam irradiation. The investigation targets molecules with three carbons as their main-chain structure. The stability of the bonds under ionization are simulated using the SIESTA package. LÄS MER

4. 3. Theoretical and Biochemical : Advancing Protein Structure Investigations with Complementing Computations

   Författare :Maxim N. Brodmerkel; Erik G. Marklund; Carl Caleman; Charlotte Uetrecht; Helmut Grubmüller; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics simulation; Protein structure; Structural biology; Protein hydration; Electric dipole; Collision Induced Unfolding;

   Sammanfattning : Life as we know it today would not exist without proteins. The functions of proteins for us and other organisms are linked to their three-dimensional structures. As such, protein structure investigations are a crucial contribution for understanding proteins and the molecular basis of life. LÄS MER

5. 4. Simulations of ultrafast photon-matter interactions for molecular imaging with X-ray lasers

   Författare :Ibrahim Eliah Dawod; Nicusor Timneanu; Carl Caleman; Adrian P. Mancuso; Lars Schäfer; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; X-ray free-electron laser; molecular dynamics; radiation damage; plasma simulations; density functional theory¸ coherent diffractive imaging; protein structure; X-ray crystallography; single particle imaging;

   Sammanfattning : Biological structure determination has had new avenues of investigation opened due to the introduction of X-ray free-electron lasers (XFELs). These X-ray lasers provide an extreme amount of photons on ultrafast timescales used to probe matter, and in particular biomolecules. LÄS MER

7. 5. An X-ray Based Spectroscopic Study of Structure Influencing Electrons : Fragmentation, Ultrafast Charge Dynamics and Surface Composition

   Författare :Geethanjali Gopakumar; Olle Björneholm; Carl Caleman; Isaak Unger; Ruth Signorell; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Fragmentation; ICD; ETMD; Ultrafast electron dynamics; Surface propensity;

   Sammanfattning : The structure of biomolecules, such as proteins, is intimately connected to the function of the molecules. These structures are often studied using X-ray diffraction. However, the interaction of the X-ray photons with the molecule can excite or ionize its electrons which in turn can causes changes in the molecular structure. LÄS MER