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Radiation damage in biological material: electronic properties and electron impact ionization in urea
Physik Department E17, Technische Universität München.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Materials Theory.
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2009 (English)In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 85, no 1, p. 18005-Article in journal (Refereed) Published
Abstract [en]

Radiation damage is an unavoidable process when performing structural investigations of biological macromolecules with X-rays. In crystallography this process can be limited through damage distribution in a crystal, while for single molecular imaging it can be outrun by employing short intense pulses. Secondary electron generation is crucial during damage formation and we present a study of urea, as model for biomaterial. From first principles we calculate the band structure and energy loss function, and subsequently the inelastic electron cross-section in urea. Using Molecular Dynamics simulations, we quantify the damage and study the magnitude and spatial extent of the electron cloud coming from an incident electron, as well as the dependence with initial energy.

Place, publisher, year, edition, pages
IOP , 2009. Vol. 85, no 1, p. 18005-
Keywords [en]
cascades
National Category
Biophysics Biochemistry and Molecular Biology Physical Sciences Engineering and Technology
Identifiers
URN: urn:nbn:se:uu:diva-102113DOI: 10.1209/0295-5075/85/18005ISI: 000263692500037OAI: oai:DiVA.org:uu-102113DiVA, id: diva2:214361
Available from: 2009-05-27 Created: 2009-05-05 Last updated: 2017-12-13Bibliographically approved

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Caleman, CarlOrtiz, CarlosMarklund, ErikGabrysch, MarkusHajdu, JanosKlintenberg, MattiasTimneanu, Nicusor

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