Anion exchange dynamics in the capture of perchlorate by a cationic Ag-based MOF

The perchlorate capture process by a cationic Ag-based MOF was carefully studied using a combination of powder X-ray diffraction (PXRD), multinuclear 13C, 15N and 109Ag solid state NMR and SEM.</p

Lithium Transport in Li4.4M0.4M ' S-0.6(4) (M = Al3+, Ga3+, and M ' = Ge4+, Sn4+): Combined Crystallographic, Conductivity, Solid State NMR, and Computational Studies

In order to understand the structural and compositional factors controlling lithium transport in sulfides, we explored the Li5AlS4 – Li4GeS4 phase field for new materials. Both parent compounds are defined structurally by a hexagonal close packed sulfide lattice, where distinct arrangements of tetrahedral metal sites give Li5AlS4 a layered structure and Li4GeS4 a three dimensional structure related to γ-Li3PO4. The combination of the two distinct structural motifs is expected to lead to new structural chemistry. We identified the new crystalline phase Li4.4Al0.4Ge0.6S4, and investigated the structure and Li+ ion dynamics of the family of structurally related materials Li4.4M0.4M’0.6S4 (M= Al3+, Ga3+ and M’= Ge4+, Sn4+). We used neutron diffraction to solve the full structures of the Al-homologues, which adopt a layered close-packed structure with a new arrangement of tetrahedral (M/M’) sites and a novel combination of ordered and disordered lithium vacancies. AC impedance spectroscopy revealed lithium conductivities in the range 3(2) x 10-6 to 4.3(3) x 10-5 S cm-1 at room temperature with activation energies between 0.43(1) and 0.38(1) eV. Electrochemical performance was tested in a plating and stripping experiment against Li metal electrodes and showed good stability of the Li4.4Al0.4Ge0.6S4 phase over 200 hours. A combination of variable temperature 7Li solid state nuclear magnetic resonance spectroscopy and ab initio molecular dynamics calculations on selected phases showed that two dimensional diffusion with a low energy barrier of 0.17 eV is responsible for long-range lithium transport, with diffusion pathways mediated by the disordered vacancies while the ordered vacancies do not contribute to the conductivity. This new structural family of sulfide Li+ ion conductors offers insight into the role of disordered vacancies on Li+ ion conductivity mechanisms in hexagonally close packed sulfides that can inform future materials design

The PhanSST global database of Phanerozoic sea surface temperature proxy data

Paleotemperature proxy data form the cornerstone of paleoclimate research and are integral to understanding the evolution of the Earth system across the Phanerozoic Eon. Here, we present PhanSST, a database containing over 150,000 data points from five proxy systems that can be used to estimate past sea surface temperature. The geochemical data have a near-global spatial distribution and temporally span most of the Phanerozoic. Each proxy value is associated with consistent and queryable metadata fields, including information about the location, age, and taxonomy of the organism from which the data derive. To promote transparency and reproducibility, we include all available published data, regardless of interpreted preservation state or vital effects. However, we also provide expert-assigned diagenetic assessments, ecological and environmental flags, and other proxy-specific fields, which facilitate informed and responsible reuse of the database. The data are quality control checked and the foraminiferal taxonomy has been updated. PhanSST will serve as a valuable resource to the paleoclimate community and has myriad applications, including evolutionary, geochemical, diagenetic, and proxy calibration studies

Shiga Toxin 1 Induces on Lipopolysaccharide-Treated Astrocytes the Release of Tumor Necrosis Factor-alpha that Alter Brain-Like Endothelium Integrity

The hemolytic uremic syndrome (HUS) is characterized by hemolytic anemia, thrombocytopenia and renal dysfunction. The typical form of HUS is generally associated with infections by Gram-negative Shiga toxin (Stx)-producing Escherichia coli (STEC). Endothelial dysfunction induced by Stx is central, but bacterial lipopolysaccharide (LPS) and neutrophils (PMN) contribute to the pathophysiology. Although renal failure is characteristic of this syndrome, neurological complications occur in severe cases and is usually associated with death. Impaired blood-brain barrier (BBB) is associated with damage to cerebral endothelial cells (ECs) that comprise the BBB. Astrocytes (ASTs) are inflammatory cells in the brain and determine the BBB function. ASTs are in close proximity to ECs, hence the study of the effects of Stx1 and LPS on ASTs, and the influence of their response on ECs is essential. We have previously demonstrated that Stx1 and LPS induced activation of rat ASTs and the release of inflammatory factors such as TNF-α, nitric oxide and chemokines. Here, we demonstrate that rat ASTs-derived factors alter permeability of ECs with brain properties (HUVECd); suggesting that functional properties of BBB could also be affected. Additionally, these factors activate HUVECd and render them into a proagregant state promoting PMN and platelets adhesion. Moreover, these effects were dependent on ASTs secreted-TNF-α. Stx1 and LPS-induced ASTs response could influence brain ECs integrity and BBB function once Stx and factors associated to the STEC infection reach the brain parenchyma and therefore contribute to the development of the neuropathology observed in HUS

Association of risk of suicide attempts with methylphenidate treatment

IMPORTANCE Patients with attention-deficit/hyperactivity disorder (ADHD) are at an increased risk of attempting suicide. Stimulants, such as methylphenidate hydrochloride, are the most common treatment for ADHD, but the association between their therapeutic use and suicide is unclear. OBJECTIVE To investigate the association between methylphenidate and the risk of suicide attempts. DESIGN, SETTING, AND PARTICIPANTS A population-based, electronic medical records database from the Hong Kong Clinical Data Analysis & Reporting System was used to identify 25 629 individuals aged 6 to 25 years who were treated with methylphenidate between January 1, 2001, and December 31, 2015. Those who had attempted suicide were included in the analysis. A self-controlled case series design was used to control for time-invariant characteristics of the patients. MAIN OUTCOMES AND MEASURES Relative incidence of suicide attempt during periods when patients were exposed to methylphenidate compared with nonexposed periods. RESULTS Among 25 629 patients with methylphenidate prescriptions, 154 had their first recorded suicide attempt within the study period; of these individuals, 111 (72.1%) were male; mean (SD) age at baseline was 7.15 (2.19) years. The overall incidence of suicide attempts duringmethylphenidate treatment was 9.27 per 10 000 patient-years. An increased risk of suicide attempts was detected during the 90-day period before methylphenidate was initiated, with an incidence rate ratio (IRR) of 6.55 (95%CI, 3.37-12.72). The IRR remained elevated during the first 90 days of treatment (IRR, 3.91; 95%CI, 1.62-9.42) before returning to baseline levels during ongoing treatment (IRR, 1.35; 95%CI, 0.77-2.38). When the risk during the first 90 days of treatment was compared with the 90 days preceding first treatment, the incidence of suicide attempts was not elevated (IRR, 0.78; 95%CI, 0.26-2.35). CONCLUSIONS AND RELEVANCE The incidence of suicide attempts was higher in the period immediately before the start ofmethylphenidate treatment. The risk remained elevated immediately after the start ofmethylphenidate treatment and returned to baseline levels during continuation of methylphenidate treatment. The observed higher risk of suicide attempts before treatment may reflect emerging psychiatric symptoms that trigger medical consultations that result in a decision to begin ADHD treatment. Therefore, this study’s results do not support a causal association between methylphenidate treatment and suicide attempts

The PhanSST global database of Phanerozoic sea surface temperature proxy data

Paleotemperature proxy data form the cornerstone of paleoclimate research and are integral to understanding the evolution of the Earth system across the Phanerozoic Eon. Here, we present PhanSST, a database containing over 150,000 data points from five proxy systems that can be used to estimate past sea surface temperature. The geochemical data have a near-global spatial distribution and temporally span most of the Phanerozoic. Each proxy value is associated with consistent and queryable metadata fields, including information about the location, age, and taxonomy of the organism from which the data derive. To promote transparency and reproducibility, we include all available published data, regardless of interpreted preservation state or vital effects. However, we also provide expert-assigned diagenetic assessments, ecological and environmental flags, and other proxy-specific fields, which facilitate informed and responsible reuse of the database. The data are quality control checked and the foraminiferal taxonomy has been updated. PhanSST will serve as a valuable resource to the paleoclimate community and has myriad applications, including evolutionary, geochemical, diagenetic, and proxy calibration studies

Multiple novel prostate cancer susceptibility signals identified by fine-mapping of known risk loci among Europeans

Genome-wide association studies (GWAS) have identified numerous common prostate cancer (PrCa) susceptibility loci. We have fine-mapped 64 GWAS regions known at the conclusion of the iCOGS study using large-scale genotyping and imputation in 25 723 PrCa cases and 26 274 controls of European ancestry. We detected evidence for multiple independent signals at 16 regions, 12 of which contained additional newly identified significant associations. A single signal comprising a spectrum of correlated variation was observed at 39 regions; 35 of which are now described by a novel more significantly associated lead SNP, while the originally reported variant remained as the lead SNP only in 4 regions. We also confirmed two association signals in Europeans that had been previously reported only in East-Asian GWAS. Based on statistical evidence and linkage disequilibrium (LD) structure, we have curated and narrowed down the list of the most likely candidate causal variants for each region. Functional annotation using data from ENCODE filtered for PrCa cell lines and eQTL analysis demonstrated significant enrichment for overlap with bio-features within this set. By incorporating the novel risk variants identified here alongside the refined data for existing association signals, we estimate that these loci now explain ∼38.9% of the familial relative risk of PrCa, an 8.9% improvement over the previously reported GWAS tag SNPs. This suggests that a significant fraction of the heritability of PrCa may have been hidden during the discovery phase of GWAS, in particular due to the presence of multiple independent signals within the same regio

Research data supporting K.K. Inglis et al., "Structure and Sodium Ion Dynamics in Sodium Strontium Silicate Investigated by Multinuclear Solid-State NMR", Chemistry of Materials, DOI:10.1021/acs.chemmater.6b00941

This includes all the FIDs and processed NMR data published in the paper “Structure and Sodium Ion Dynamics in Sodium Strontium Silicate Investigated by Multinuclear Solid-State NMR” Blanc Chemistry of Materials 2016 00941v. All the NMR data were acquired and processed with Topspin 3.2. Please see the paper for more details. The file Na_dopedSrSiO3_NMR_23Na29Si17Odata contains all 29Si, 17O and 23Na NMR data (except 23Na variable temperature NMR data) and the content is described here: File 1 Sr0.55Na0.45SiO2.775 29Si MAS (Fig 2) File 2 devitrified Sr0.55Na0.45SiO2.775 29Si MAS (Fig 2) File 3 Sr0.55Na0.45SiO2.775 23Na MAS at 20 T (Fig 3) File 4 Sr0.55Na0.45SiO2.775 23Na MAS at 9.4 T (Fig 3) File 5 devitrified Sr0.55Na0.45SiO2.775 23Na MAS at 20 T (Fig 3) File 6 devitrified Sr0.55Na0.45SiO2.775 23Na MAS at 9.4 T (Fig 3) File 7 devitrified 17O enriched Sr0.55Na0.45SiO2.775 17O MAS at 20 T (Fig S1) File 8 devitrified 17O enriched Sr0.55Na0.45SiO2.775 17O MAS at 9.4 T (Fig S1) File 9 Sr0.55Na0.45SiO2.775 after quenching from 934 °C 29Si MAS (Fig S4) File 10 devitrified Sr0.55Na0.45SiO2.775 after quenching from 934 °C 29Si MAS (Fig S4) The file Na_dopedSrSiO3_NMR_23NaVT_dynamics gives all the 23Na NMR variable temperature data used to produce Figures 4-7, S3 and S5