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Numrering	Referens	Omslagsbild	Hitta
1.	Ashuiev, Anton, et al. (författare) Geometry and electronic structure of Yb(iii)[CH(SiMe3)2]3 from EPR and solid-state NMR augmented by computations 2024 Ingår i: Physical Chemistry, Chemical Physics - PCCP. - 1463-9076 .- 1463-9084. ; 26:11, s. 8734-8747 Tidskriftsartikel (refereegranskat)abstract Characterization of paramagnetic compounds, in particular regarding the detailed conformation and electronic structure, remains a challenge, and – still today it often relies solely on the use of X-ray crystallography, thus limiting the access to electronic structure information. This is particularly true for lanthanide elements that are often associated with peculiar structural and electronic features in relation to their partially filled f-shell. Here, we develop a methodology based on the combined use of state-of-the-art magnetic resonance spectroscopies (EPR and solid-state NMR) and computational approaches as well as magnetic susceptibility measurements to determine the electronic structure and geometry of a paramagnetic Yb(III) alkyl complex, Yb(III)[CH(SiMe3)2]3, a prototypical example, which contains notable structural features according to X-ray crystallography. Each of these techniques revealed specific information about the geometry and electronic structure of the complex. Taken together, both EPR and NMR, augmented by quantum chemical calculations, provide a detailed and complementary understanding of such paramagnetic compounds. In particular, the EPR and NMR signatures point to the presence of three-centre–two-electron Yb-γ-Me-β-Si secondary metal–ligand interactions in this otherwise tri-coordinate metal complex, similarly to its diamagnetic Lu analogues. The electronic structure of Yb(III) can be described as a single 4f13 configuration, while an unusually large crystal-field splitting results in a thermally isolated ground Kramers doublet. Furthermore, the computational data indicate that the Yb–carbon bond contains some π-character, reminiscent of the so-called α-H agostic interaction.
2.	Lee, James J, et al. (författare) Gene discovery and polygenic prediction from a genome-wide association study of educational attainment in 1.1 million individuals. 2018 Ingår i: Nature genetics. - : Springer Science and Business Media LLC. - 1546-1718 .- 1061-4036. ; 50:8, s. 1112-1121 Tidskriftsartikel (refereegranskat)abstract Here we conducted a large-scale genetic association analysis of educational attainment in a sample of approximately 1.1million individuals and identify 1,271independent genome-wide-significant SNPs. For the SNPs taken together, we found evidence of heterogeneous effects across environments. The SNPs implicate genes involved in brain-development processes and neuron-to-neuron communication. In a separate analysis of the X chromosome, we identify 10independent genome-wide-significant SNPs and estimate a SNP heritability of around 0.3% in both men and women, consistent with partial dosage compensation. A joint (multi-phenotype) analysis of educational attainment and three related cognitive phenotypes generates polygenic scores that explain 11-13% of the variance in educational attainment and 7-10% of the variance in cognitive performance. This prediction accuracy substantially increases the utility of polygenic scores as tools in research.

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Typ av publikation: tidskriftsartikel (2)

Typ av innehåll: refereegranskat (2)

Författare/redaktör: Jacobsson, Bo, 1960 (1); Johannesson, Magnus (1); Campbell, Harry (1); Oskarsson, Sven, 197 ... (1); Wareham, Nicholas J. (1); Koellinger, Philipp ... (1); visa fler...; Langenberg, Claudia (1); Magnusson, Patrik K ... (1); Lee, James J. (1); Carvalho, José P. (1); Pell, Andrew J. (1); Wu, Yang (1); Luan, Jian'an (1); Metspalu, Andres (1); Wilson, James F. (1); Li, Hui (1); Cesarini, David (1); Zhao, Jing Hua (1); Porteous, David J (1); Hayward, Caroline (1); Ashuiev, Anton (1); Allouche, Florian (1); Islam, Md. Ashraful (1); Sanders, Kevin J. (1); Conley, Matthew P. (1); Klose, Daniel (1); Lapadula, Giuseppe (1); Wörle, Michael (1); Baabe, Dirk (1); Walter, Marc D. (1); Copéret, Christophe (1); Jeschke, Gunnar (1); Pintacuda, Guido (1); Andersen, Richard A. (1); Kumari, Meena (1); Conley, Dalton C (1); Beauchamp, Jonathan ... (1); Kleinman, Aaron (1); Karlsson- Linnér, Ri ... (1); Harris, Kathleen Mul ... (1); Milani, Lili (1); Esko, Tõnu (1); Herd, Pamela (1); Freese, Jeremy (1); Visscher, Peter M. (1); Meyer, Michelle N (1); Benjamin, Daniel J. (1); Turley, Patrick (1); Okbay, Aysu (1); Furlotte, Nicholas A (1); visa färre...

Lärosäte: Göteborgs universitet (1); Uppsala universitet (1); Stockholms universitet (1); Handelshögskolan i Stockholm (1); Karolinska Institutet (1)

Språk: Engelska (2)

Forskningsämne (UKÄ/SCB): Naturvetenskap (2); Medicin och hälsovetenskap (1)

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