| 1. |
- Tabassum, R, et al.
(författare)
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Genetic architecture of human plasma lipidome and its link to cardiovascular disease
- 2019
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Ingår i: Nature communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 10:1, s. 4329-
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Tidskriftsartikel (refereegranskat)abstract
- Understanding genetic architecture of plasma lipidome could provide better insights into lipid metabolism and its link to cardiovascular diseases (CVDs). Here, we perform genome-wide association analyses of 141 lipid species (n = 2,181 individuals), followed by phenome-wide scans with 25 CVD related phenotypes (n = 511,700 individuals). We identify 35 lipid-species-associated loci (P <5 ×10−8), 10 of which associate with CVD risk including five new loci-COL5A1, GLTPD2, SPTLC3, MBOAT7 and GALNT16 (false discovery rate<0.05). We identify loci for lipid species that are shown to predict CVD e.g., SPTLC3 for CER(d18:1/24:1). We show that lipoprotein lipase (LPL) may more efficiently hydrolyze medium length triacylglycerides (TAGs) than others. Polyunsaturated lipids have highest heritability and genetic correlations, suggesting considerable genetic regulation at fatty acids levels. We find low genetic correlations between traditional lipids and lipid species. Our results show that lipidomic profiles capture information beyond traditional lipids and identify genetic variants modifying lipid levels and risk of CVD.
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| 2. |
- Lahtinen, J., et al.
(författare)
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LEED and DFT investigation on the (2 × 2)-S overlayer on Co(0 0 0 1)
- 2005
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Ingår i: Surface Science. - : Elsevier BV. - 0039-6028 .- 1879-2758. ; 599:1-3, s. 113-121
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Tidskriftsartikel (refereegranskat)abstract
- The geometric surface structure of a (2 × 2)-S layer formed by adsorption of hydrogen sulfide at 185 K on the Co(0 0 0 1) surface has been determined by low energy electron diffraction (LEED) experiments and density-functional theory (DFT) calculations. The favored atomic configuration consists of sulfur atoms residing at the fcc-hollow sites with S-Co distance of 2.2 ± 0.1 Å. Buckling in the first layer is negligible and the three nearest-neighbor Co atoms below the S atom are symmetrically moved by 0.05 ± 0.09 Å along the surface away from the S atom. The DFT calculations confirm the hollow-site adsorption and give further information on the electronic structure of the system. © 2005 Elsevier B.V. All rights reserved.
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| 3. |
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| 4. |
- Greber, T, et al.
(författare)
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Circular dichroism and angular deviation in x-ray absorption spectra of Dy2ScN@C80 single-molecule magnets on h-BN/Rh(111)
- 2019
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Ingår i: Physical Review Materials. - 2475-9953. ; 3
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Tidskriftsartikel (refereegranskat)abstract
- Endohedral fullerenes, such as Dy2ScN@C80, are single-molecule magnets with long relaxation times of their magnetization. An open and anisotropic 4f electron shell in the lanthanides (here Dy) imposes a magnetic moment that maintains its orientation at liquid-helium temperatures for macroscopic times. If these molecules shall be used as single-bit information storage elements or for quantum operations, the orientation of the endohedral units and the orientation of the magnetic moments has to be controlled. X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD)—with variation of the angle of x-ray incidence—allows for the detection of these two structural elements. We present XMCD data of Dy2ScN@C80 on an h−BN/Rh(111) nanomesh that display at 2 K a large hysteresis with a coercive field of 0.4 T. The angular dependence of the XAS data at the Dy M5 edge indicates partial ordering of the endohedral units. In order to quantify anisotropic orientation we introduce the “deviation” D as an operational quantity that measures differences between two spectra.
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| 5. |
- Knapp, M., et al.
(författare)
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Unusual process of water formation on RuO2(110) by hydrogen exposure at room temperature
- 2006
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Ingår i: The Journal of Physical Chemistry Part B. - : American Chemical Society (ACS). - 1520-5207 .- 1520-6106. ; 110:29, s. 14007-14010
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Tidskriftsartikel (refereegranskat)abstract
- The reduction mechanism of the RuO2(110) surface by molecular hydrogen exposure is unraveled to an unprecedented level by a combination of temperature programmed reaction, scanning tunneling microscopy, high-resolution core level shift spectroscopy, and density functional theory calculations. We demonstrate that even at room temperature hydrogen exposure to the RuO2(110) surface leads to the formation of water. In a two-step process, hydrogen saturates first the bridging oxygen atoms to form (O-br-H) species and subsequently part of these O-br-H groups move to the undercoordinated Ru atoms where they form adsorbed water. This latter process is driven by thermodynamics leaving vacancies in the bridging O rows.
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| 6. |
- Zweidinger, S., et al.
(författare)
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Reaction mechanism of the oxidation of HCl over RuO2(110)
- 2008
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 112:27, s. 9966-9969
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Tidskriftsartikel (refereegranskat)abstract
- High-resolution core-level shift spectroscopy and temperature-programmed reaction experiments together with density functional theory calculations reveal that the oxidation of HCl with oxygen producing Cl-2 and water proceeds on the chlorine-stabilized RuO2(110)surface via a one-dimensional Langmuir-Hinshelwood mechanism. The recombination of two adjacent chlorine atoms on the catalyst's surface constitutes the rate-determining step in this novel Deacon-like process.
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| 7. |
- Knapp, M., et al.
(författare)
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Complex interaction of hydrogen with the RuO2(110) surface
- 2007
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 111:14, s. 5363-5373
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Tidskriftsartikel (refereegranskat)abstract
- Using a variety of dedicated surface sensitive techniques, we studied the interaction of hydrogen with bare and adsorbate modified RuO2(110) surfaces on the atomic scale. Hydrogen interacts strongly with the undercoordinated O atoms, thereby forming hydroxyl groups and passivating available oxygen species on the oxide surface, for instance, for the catalytic CO oxidation reaction. Temperature programmed reaction and desorption elucidate the complex reaction behavior of hydrogen with O precovered RuO2(110), including the hydrogen transfer reaction between the different kinds of undercoordinated surface oxygen atoms. Hydroxyl, water species, and hydrogen transfer are identified with high-resolution O1s core level spectroscopy by comparison with density functional theory (DFT) calculated O1s core level shifts. DFT calculations provide adsorption energies, atomic geometries, as well as diffusion barriers of H atoms on the RuO2(110) surface.
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| 8. |
- Seitsonen, A. P., et al.
(författare)
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Reaction mechanism of ammonia oxidation over RuO2(110): A combined theory/experiment approach
- 2009
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Ingår i: Surface Science. - : Elsevier BV. - 0039-6028. ; 603:18, s. 113-116
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Tidskriftsartikel (refereegranskat)abstract
- Combining state-of-the-art density functional theory (DFT) calculations with high resolution core level shift spectroscopy experiments we explored the reaction mechanism of the ammonia oxidation reaction over RuO2(1 1 0). The high catalytic activity of RuO2(1 1 0) is traced to the low activation energies for the successive hydrogen abstractions of ammonia by on-top O (less than 73 kJ/mol) and the low activation barrier for the recombination of adsorbed O and N (77 kJ/mol) to form adsorbed NO. The NO desorption is activated by 121 kJ/mol and represents therefore the rate determining step in the ammonia oxidation reaction over RuO2 (1 1 0). (C) 2009 Elsevier B.V. All rights reserved.
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