# Published Articles

2013-05-24
04:15
 Ligand Discrimination in Myoglobin from Linear-Scaling DFT+U / Cole, Daniel J ; O'Regan, David D ; Payne, Mike C Myoglobin modulates the binding of diatomic molecules to its heme group via hydrogen-bonding and steric interactions with neighboring residues, and is an important benchmark for computational studies of biomolecules. We have performed calculations on the heme binding site and a significant proportion of the protein environment (more than 1000 atoms) using linear-scaling density functional theory and the DFT+U method to correct for self-interaction errors associated with localized 3d states. [...] arXiv:1305.5532.- 2013 - 15 p. - Published in : J. Phys. Chem. Lett.: 3 (2012) , pp. 1448-1452 External link: Preprint

2013-05-24
04:15
 A high order cell-centered semi-Lagrangian scheme for multi-dimensional kinetic simulations of neutral gas flows / Güçlü, Yaman ; Hitchon, William N G The term Convected Scheme' (CS) refers to a family of algorithms, most usually applied to the solution of Boltzmann's equation, which uses a method of characteristics in an integral form to project an initial cell forward to a group of final cells. As such the CS is a forward-trajectory' semi-Lagrangian scheme. [...] arXiv:1305.5477.- 2013 - Published in : No.: 8 (2012) , pp. 3289-3316 External link: Preprint

2013-05-24
04:15
 Biological Tissue Imaging with a Position and Time Sensitive Pixelated Detector / Jungmann, Julia H ; Smith, Donald F ; MacAleese, Luke ; Klinkert, Ivo ; Visser, Jan ; Heeren, Ron M A We demonstrate the capabilities of a highly parallel, active pixel detector for large-area, mass spectrometric imaging of biological tissue sections. A bare Timepix assembly (512x512 pixels) is combined with chevron microchannel plates on an ion microscope matrix-assisted laser desorption time-of-flight mass spectrometer (MALDI TOF-MS). [...] arXiv:1305.5437.- 2013 - Published in : Journal of the American Society for Mass Spectrometry: 23 (1679) , pp. 10 External link: Preprint

2013-05-24
04:15
 Emerging Technologies in Mass Spectrometry Imaging / Jungmann, Julia H ; Heeren, Ron M A Mass spectrometry imaging (MSI) as an analytical tool for bio-molecular and bio-medical research targets, accurate compound localization and identification. In terms of dedicated instrumentation, this translates into the demand for more detail in the image dimension (spatial resolution) and in the spectral dimension (mass resolution and accuracy), preferably combined in one instrument. [...] arXiv:1305.5433.- 2013 External link: Preprint

2013-05-24
04:14
 Nuclear $\beta^+$/EC decays in covariant density functional theory and the impact of isoscalar proton-neutron pairing / Niu, Z M ; Niu, Y F ; Liu, Q ; Liang, H Z ; Guo, J Y Self-consistent proton-neutron quasiparticle random phase approximation based on the spherical nonlinear point-coupling relativistic Hartree-Bogoliubov theory is established and used to investigate the $\beta^+$/EC-decay half-lives of neutron-deficient Ar, Ca, Ti, Fe, Ni, Zn, Cd, and Sn isotopes. The isoscalar proton-neutron pairing is found to play an important role in reducing the decay half-lives, which is consistent with the same mechanism in the $\beta$ decays of neutron-rich nuclei. [...] arXiv:1305.5387.- 2013 - 12 p. External link: Preprint

2013-05-24
04:14
 Gauge theory on a space with linear Lie type fuzziness / Khorrami, M ; Fatollahi, A H ; Shariati, A The U(1) gauge theory on a space with Lie type noncommutativity is constructed. The construction is based on the group of translation in Fourier space, which in contrast to space itself is commutative. [...] arXiv:1305.5410.- 2013 - 1+17 p. - Published in : Int. J. Mod. Phys. A 27 (2012) 1250105 External link: Preprint

2013-05-24
04:11
 Fractal multi-scale nature of solar/stellar magnetic field / Abramenko, Valentina I An abstract mathematical concept of fractal organization of certain complex objects received significant attention in astrophysics during last decades. The concept evolved into a broad field including multi-fractality and intermittency, percolation theory, self-organized criticality, theory of catastrophes, etc. [...] arXiv:1305.5282.- 2013 - 16 p. - Published in : A.G.Kosovichev (2012) External link: Preprint

2013-05-23
11:44
 Simulations of Higher Order Modes in the ACC39 Module of FLASH   / Shinton, I R R (University of Manchester and Cockcroft Institute) ; Jones, R M (University of Manchester and Cockcroft Institute) ; Li, Z (SLAC) ; Zhang, P (University of Manchester, DESY and Cockcroft Institute) WP: 10: SC RF technology for higher intensity proton accelerators and higher energy electron linacs Task: 10.5: HOM Distribution This study is focused on the development of a HOMbased BPM system for the ACC39 module currently installed and in operation at FLASH. [...] EuCARD-CON-2012-028. - 2012. Access to fulltext document

2013-05-23
11:21
 HOM Choice Study with Test Electronics for Use as beam Position Diagnostics in 3.9 GHz Accelerating Cavities in FLASH   / Baboi, N (DESY) ; Lorbeer, B (DESY) ; Zhang, P (DESY) ; Eddy, N (FNAL) ; Fellenz, B (FNAL) ; Wendt, M (FNAL) WP: 10: SC RF technology for higher intensity proton accelerators and higher energy electron linacs Task: 10.5: HOM Distribution Higher Order Modes (HOM) excited by the beam in the 3.9 GHz accelerating cavities in FLASH can be used for beam position diagnostics, as in a cavity beam position monitor. [...] EuCARD-CON-2012-027. - 2012. Access to fulltext document

2013-05-23
04:14
 Lognormal Infection Times of Online Information Spread / Doerr, Christian ; Blenn, Norbert ; Van Mieghem, Piet The infection times of individuals in online information spread such as the inter-arrival time of Twitter messages or the propagation time of news stories on a social media site can be explained through a convolution of lognormally distributed observation and reaction times of the individual participants. Experimental measurements support the lognormal shape of the individual contributing processes, and have resemblance to previously reported lognormal distributions of human behavior and contagious processes.. arXiv:1305.5235.- 2013 External link: Preprint