54 research outputs found
Room temperature structure and energetics of water-hydroxyl layers on Pt(111)
The interactions between water and hydroxyl species on Pt(111) surfaces have
been intensely investigated due to their importance to fuel cell
electrocatalysis. Here we present a room temperature molecular dynamics study
of their structure and energetics using an ensemble of neural network
potentials, which allow us to obtain unprecedented statistical sampling. We
first study the energetics of hydroxyl formation, where we find a near-linear
adsorption energy profile, which exhibits a soft and gradual increase in the
differential adsorption energy at high hydroxyl coverages. This is strikingly
different from the predictions of the conventional bilayer model, which
displays a kink at 1/3ML OH coverage indicating a sizeable jump in differential
adsorption energy, but within the statistical uncertainty of previously
reported ab initio molecular dynamics studies. We then analyze the structure of
the interface, where we provide evidence for the water-OH/Pt(111) interface
being hydrophobic at high hydroxyl coverages. We furthermore explain the
observed adsorption energetics by analyzing the hydrogen bonding in the
water-hydroxyl adlayers, where we argue that the increase in differential
adsorption energy at high OH coverage can be explained by a reduction in the
number of hydrogen bonds from the adsorbed water molecules to the hydroxyls
Genome-wide analysis of 102,084 migraine cases identifies 123 risk loci and subtype-specific risk alleles
Migraine affects over a billion individuals worldwide but its genetic underpinning remains largely unknown. Here, we performed a genome-wide association study of 102,084 migraine cases and 771,257 controls and identified 123 loci, of which 86 are previously unknown. These loci provide an opportunity to evaluate shared and distinct genetic components in the two main migraine subtypes: migraine with aura and migraine without aura. Stratification of the risk loci using 29,679 cases with subtype information indicated three risk variants that seem specific for migraine with aura (in HMOX2, CACNA1A and MPPED2), two that seem specific for migraine without aura (near SPINK2 and near FECH) and nine that increase susceptibility for migraine regardless of subtype. The new risk loci include genes encoding recent migraine-specific drug targets, namely calcitonin gene-related peptide (CALCA/CALCB) and serotonin 1F receptor (HTR1F). Overall, genomic annotations among migraine-associated variants were enriched in both vascular and central nervous system tissue/cell types, supporting unequivocally that neurovascular mechanisms underlie migraine pathophysiology.publishedVersionPeer reviewe
Genome-wide analysis of 102,084 migraine cases identifies 123 risk loci and subtype-specific risk alleles.
To access publisher's full text version of this article, please click on the hyperlink in Additional Links field or click on the hyperlink at the top of the page marked DownloadMigraine affects over a billion individuals worldwide but its genetic underpinning remains largely unknown. Here, we performed a genome-wide association study of 102,084 migraine cases and 771,257 controls and identified 123 loci, of which 86 are previously unknown. These loci provide an opportunity to evaluate shared and distinct genetic components in the two main migraine subtypes: migraine with aura and migraine without aura. Stratification of the risk loci using 29,679 cases with subtype information indicated three risk variants that seem specific for migraine with aura (in HMOX2, CACNA1A and MPPED2), two that seem specific for migraine without aura (near SPINK2 and near FECH) and nine that increase susceptibility for migraine regardless of subtype. The new risk loci include genes encoding recent migraine-specific drug targets, namely calcitonin gene-related peptide (CALCA/CALCB) and serotonin 1F receptor (HTR1F). Overall, genomic annotations among migraine-associated variants were enriched in both vascular and central nervous system tissue/cell types, supporting unequivocally that neurovascular mechanisms underlie migraine pathophysiology.US National Institute of Neurological Disorders and Stroke (NINDS) of the US National Institutes of Health (NIH)
Finnish innovation fund Sitra
Finska Lakaresallskapet
Academy of Finland
Sigrid Juselius Foundation
Academy of Finland
Appeared in source as:Academy of Finland Center of Excellence in Complex Disease Genetics
Finnish Foundation for Cardiovascular Research
Novo Nordisk Foundation
Novocure Limited
CANDY foundation (CEHEAD)
South-Eastern Norway Regional Health Authorit
Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms
Interaction between Monomeric Vanadium Oxide Clusters Supported on Titania and Its Influence on Their Reactivity
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