Tuning the electrocaloric enhancement near the morphotropic phase boundary in lead-free ceramics

This project was funded by EPSRC (EP/G060940/1 and EP/P505674/1) and the Grant Agency of the Slovak Academy of Sciences (2/0057/14)

Structural effects on adsorption of atmospheric gases in mixed Li,Ag– X -zeolite

Silver is known to strongly affect the adsorptive properties of zeolites. In the synthesis of mixed Li,Ag low-silica X-type (LSX) zeolite, adding very small amounts of silver and specific dehydration conditions results in a sorbent with enhanced adsorptive characteristics for air separation. The location of the extraframework silver in relation to the aluminosilicate framework is of primary importance for elucidating the effect of silver cations on the adsorptive characteristics of the zeolite. In this work, mixed Li,Ag ion-exchanged zeolites were synthesized and treated to promote the formation of intracrystalline silver clusters. These samples were structurally characterized using Rietveld refinement of neutron powder diffraction data. Structural characterization revealed the presence of cations in a novel site II * in mixed Li,Ag–LSX zeolites that were vacuum-dehydrated at 450°C. Cations in this site II * are more interactive with the atmospheric sorbates of interest than silver at the conventional site II location. Vacuum dehydration at 450°C induced thermal migration of Ag + from site II to site II * and gives rise to the superior properties for air separation.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/34239/1/690461121_ftp.pd

“Breathing” in Adsorbate-Responsive Metal Tetraphosphonate Hybrid Materials

The structures of various layered calcium tetraphosphonates (CaH6DTMP; H8DTMP=hexamethyl- tetrakis(methylenephosphonic acid)), have been determined. Starting from CaH6DTMP·2H2O, thermal treatment and subsequent exposure to NH3 and/or H2O vapors led to four new compounds that showed high storage capacity of guest species between the layers (up to ten H2O/NH3 molecules) and a maximum volume increase of 55%. The basic building block for these phosphonates consists of an eight-membered ring chelating Ca2+ through two phoshonate groups, and the organic ligand is located within the layers, which are held together by hydrogen bonds. The structural analysis revealed that the uptake/removal of guest species (H2O and NH3) induces significant changes in the framework not only by changing the interlayer distances but also through important conformational changes of the organic ligand. An anisotropic breathing motion could be quantified by the changes of the unit-cell dimensions and ligand arrangements in four crystalline derivatives. Complete characterization revealed the existence of interconversion reactions between the different phases upon gas uptake and release. The observed behavior represents, to the best of our knowledge, the first example of a breathing-like mechanism in metal phosphonates that possess a 2D topology

Visual search performance in infants associates with later ASD diagnosis

An enhanced ability to detect visual targets amongst distractors, known as visual search (VS), has often been documented in Autism Spectrum Disorders (ASD). Yet, it is unclear when this behaviour emerges in development and if it is specific to ASD. We followed up infants at high and low familial risk for ASD to investigate how early VS abilities links to later ASD diagnosis, the potential underlying mechanisms of this association and the specificity of superior VS to ASD. Clinical diagnosis of ASD as well as dimensional measures of ASD, attention-deficit/hyperactivity disorder (ADHD) and anxiety symptoms were ascertained at 3 years. At 9 and 15 months, but not at age 2 years, high-risk children who later met clinical criteria for ASD (HR-ASD) had better VS performance than those without later diagnosis and low-risk controls. Although HR-ASD children were also more attentive to the task at 9 months, this did not explain search performance. Superior VS specifically predicted 3 year-old ASD but not ADHD or anxiety symptoms. Our results demonstrate that atypical perception and core ASD symptoms of social interaction and communication are closely and selectively associated during early development, and suggest causal links between perceptual and social features of ASD

Polymorphism in sulfadimidine/4- aminosalicylic acid cocrystals: solid-state characterization and physicochemical properties

YesPolymorphism of crystalline drugs is a common phenomenon. However, the number of reported polymorphic cocrystals is very limited. In this work, the synthesis and solid state characterisation of a polymorphic cocrystal composed of sulfadimidine (SD) and 4- aminosalicylic acid (4-ASA) is reported for the first time. By liquid-assisted milling, the SD:4-ASA 1:1 form I cocrystal, the structure of which has been previously reported, was formed. By spray drying, a new polymorphic form (form II) of the SD:4-ASA 1:1 cocrystal was discovered which could also be obtained by solvent evaporation from ethanol and acetone. Structure determination of the form II cocrystal was calculated using high resolution X-ray powder diffraction. The solubility of the SD:4-ASA 1:1 cocrystal was dependent on the pH and predicted by a model established for a two amphoteric component cocrystal. The form I cocrystal was found to be thermodynamically more stable in aqueous solution than form II, which showed transformation to form I. Dissolution studies revealed that the dissolution rate of SD from both cocrystals was enhanced when compared to a physical equimolar mixture and pure SD.Science Foundation Ireland (SFI) under Grant Number 07/SRC/B1158 and SFI/12/RC/2275

Supplemental Information 2: Example dataset description

Access to consistent, high-quality metadata is critical to finding, understanding, and reusing scientific data. However, while there are many relevant vocabularies for the annotation of a dataset, none sufficiently captures all the necessary metadata. This prevents uniform indexing and querying of dataset repositories. Towards providing a practical guide for producing a high quality description of biomedical datasets, the W3C Semantic Web for Health Care and the Life Sciences Interest Group (HCLSIG) identified Resource Description Framework (RDF) vocabularies that could be used to specify common metadata elements and their value sets. The resulting guideline covers elements of description, identification, attribution, versioning, provenance, and content summarization. This guideline reuses existing vocabularies, and is intended to meet key functional requirements including indexing, discovery, exchange, query, and retrieval of datasets, thereby enabling the publication of FAIR data. The resulting metadata profile is generic and could be used by other domains with an interest in providing machine readable descriptions of versioned datasets

The Rotterdam Study: objectives and design update

The Rotterdam Study is a prospective cohort study ongoing since 1990 in the city of Rotterdam in the Netherlands. The study targets cardiovascular, neurological, ophthalmological and endocrine diseases. As of 2008 about 15,000 subjects aged 45 years or over comprise the Rotterdam Study cohort. The findings of the Rotterdam Study have been presented in some 600 research articles and reports (see http://www.epib.nl/rotterdamstudy). This article gives the reasons for the study and its design. It also presents a summary of the major findings and an update of the objectives and methods

An IGF-I promoter polymorphism modifies the relationships between birth weight and risk factors for cardiovascular disease and diabetes at age 36

OBJECTIVE: To investigate whether IGF-I promoter polymorphism was associated with birth weight and risk factors for cardiovascular disease (CVD) and type 2 diabetes (T2DM), and whether the birth weight – risk factor relationship was the same for each genotype. DESIGN AND PARTICIPANTS: 264 subjects (mean age 36 years) had data available on birth weight, IGF-I promoter polymorphism genotype, CVD and T2DM risk factors. Student's t-test and regression analyses were applied to analyse differences in birth weight and differences in the birth weight – risk factors relationship between the genotypes. RESULTS: Male variant carriers (VCs) of the IGF-I promoter polymorphism had a 0.2 kg lower birth weight than men with the wild type allele (p = 0.009). Of the risk factors for CVD and T2DM, solely LDL concentration was associated with the genotype for the polymorphism. Most birth weight – risk factor relationships were stronger in the VC subjects; among others the birth weight – systolic blood pressure relationship: 1 kg lower birth weight was related to an 8.0 mmHg higher systolic blood pressure CONCLUSION: The polymorphism in the promoter region of the IGF-I gene is related to birth weight in men only, and to LDL concentration only. Furthermore, the genotype for this polymorphism modified the relationships between birth weight and the risk factors, especially for systolic and diastolic blood pressure

Aqueous hydroxylation mediated synthesis of crystalline calcium uranate particles

Metal uranates(VI) are solubility limiting U(VI) phases under high pH conditions and may act as suitable long-term wasteforms. The precipitation and thermal phase development mechanisms of calcium uranate particles formed via aqueous hydroxylation reactions are studied in order to address the lack of aqueous synthesis methods currently available. Hydrous Ca-deficient uranate particles formed from aqueous solutions saturated in U(VI) oligomers were found to thermally decompose via several weight-loss steps between 100 and 800 °C. Crystalline calcium uranate (Ca2U3O11) is initially formed at 700 °C via dehydration and dehydroxylation-olation reactions under redox-neutral conditions. This initial phase decomposes to biphasic CaUO4-UO2 particles at 800 °C via a reductive pathway

Coffee intake and CYP1A2*1F genotype predict breast volume in young women: implications for breast cancer

As breast volume may be associated with heart cancer risk, we studied the relationship between breast volume, CYP1A2*1F and coffee intake. Among healthy premenopausal non-hormone users, 3+ cups per day was associated with lower volume only in C-allele carriers (Pinteraction=0.02), which is consistent with reports that coffee protects only C-allele carriers against breast cancer