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Sökning: WFRF:(Malmqvist J)

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  • Kaufmann, Tobias, et al. (författare)
  • Common brain disorders are associated with heritable patterns of apparent aging of the brain
  • 2019
  • Ingår i: Nature Neuroscience. - : Nature Publishing Group. - 1097-6256 .- 1546-1726. ; 22:10, s. 1617-
  • Tidskriftsartikel (refereegranskat)abstract
    • Common risk factors for psychiatric and other brain disorders are likely to converge on biological pathways influencing the development and maintenance of brain structure and function across life. Using structural MRI data from 45,615 individuals aged 3-96 years, we demonstrate distinct patterns of apparent brain aging in several brain disorders and reveal genetic pleiotropy between apparent brain aging in healthy individuals and common brain disorders.
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  • Elvsashagen, T, et al. (författare)
  • The genetic architecture of human brainstem structures and their involvement in common brain disorders
  • 2020
  • Ingår i: Nature communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 11:1, s. 4016-
  • Tidskriftsartikel (refereegranskat)abstract
    • Brainstem regions support vital bodily functions, yet their genetic architectures and involvement in common brain disorders remain understudied. Here, using imaging-genetics data from a discovery sample of 27,034 individuals, we identify 45 brainstem-associated genetic loci, including the first linked to midbrain, pons, and medulla oblongata volumes, and map them to 305 genes. In a replication sample of 7432 participants most of the loci show the same effect direction and are significant at a nominal threshold. We detect genetic overlap between brainstem volumes and eight psychiatric and neurological disorders. In additional clinical data from 5062 individuals with common brain disorders and 11,257 healthy controls, we observe differential volume alterations in schizophrenia, bipolar disorder, multiple sclerosis, mild cognitive impairment, dementia, and Parkinson’s disease, supporting the relevance of brainstem regions and their genetic architectures in common brain disorders.
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  • Galván, Ignacio Fdez., et al. (författare)
  • OpenMolcas : From Source Code to Insight
  • 2019
  • Ingår i: Journal of Chemical Theory and Computation. - : American Chemical Society (ACS). - 1549-9618 .- 1549-9626. ; 15:11, s. 5925-5964
  • Tidskriftsartikel (refereegranskat)abstract
    • In this Article we describe the OpenMolcas environment and invite the computational chemistry community to collaborate. The open-source project already includes a large number of new developments realized during the transition from the commercial MOLCAS product to the open-source platform. The paper initially describes the technical details of the new software development platform. This is followed by brief presentations of many new methods, implementations, and features of the OpenMolcas program suite. These developments include novel wave function methods such as stochastic complete active space self-consistent field, density matrix renormalization group (DMRG) methods, and hybrid multiconfigurational wave function and density functional theory models. Some of these implementations include an array of additional options and functionalities. The paper proceeds and describes developments related to explorations of potential energy surfaces. Here we present methods for the optimization of conical intersections, the simulation of adiabatic and nonadiabatic molecular dynamics, and interfaces to tools for semiclassical and quantum mechanical nuclear dynamics. Furthermore, the Article describes features unique to simulations of spectroscopic and magnetic phenomena such as the exact semiclassical description of the interaction between light and matter, various X-ray processes, magnetic circular dichroism, and properties. Finally, the paper describes a number of built-in and add-on features to support the OpenMolcas platform with postcalculation analysis and visualization, a multiscale simulation option using frozen-density embedding theory, and new electronic and muonic basis sets.
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  • Kristiansson, P., et al. (författare)
  • Optical dot gain on newsprint determined with the Lund nuclear microprobe
  • 1997
  • Ingår i: Nuclear Instruments and Methods in Physics Research Section B. - Amsterdam : Elsevier. - 0168-583X .- 1872-9584. ; 130:1-4, s. 303-307
  • Tidskriftsartikel (refereegranskat)abstract
    • A technique for measuring optical dot gain, i.e. the relative difference between the actual screen dot and the optically perceived one, is presented. By combining measurements from the non-optical nuclear microprobe with data from image analyzing technique the optical dot gain can be determined. The procedure to reach pixel by pixel correlation on a micrometer scale is discussed. In the newsprint sample studied in this investigation a typical optical dot gain between 15 and 20% was deduced. The variation in the optical dot gain was correlated with other characteristic parameters of the print and newsprint and especially a positive correlation to the mass density of the newsprint was observed. (C) 1997 Elsevier Science Ltd.
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  • Nygård, K., et al. (författare)
  • ForMAX – a beamline for multiscale and multimodal structural characterization of hierarchical materials
  • 2024
  • Ingår i: Journal of Synchrotron Radiation. - : International Union of Crystallography (IUCr). - 0909-0495 .- 1600-5775. ; 31:Pt 2, s. 363-377
  • Tidskriftsartikel (refereegranskat)abstract
    • The ForMAX beamline at the MAX IV Laboratory provides multiscale and multimodal structural characterization of hierarchical materials in the nanometre to millimetre range by combining small- and wide-angle X-ray scattering with full-field microtomography. The modular design of the beamline is optimized for easy switching between different experimental modalities. The beamline has a special focus on the development of novel fibrous materials from forest resources, but it is also well suited for studies within, for example, food science and biomedical research.
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