Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.

The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enhancing the accessibility and discoverability of materials and chemical data. Since the first release of the OPTIMADE specification (v1.0), the API has undergone significant development, leading to the v1.

The more the better: on the formation of single-phase high entropy alloy nanoparticles as catalysts for the oxygen reduction reaction.

High entropy alloys (HEAs) are an important new material class with significant application potential in catalysis and electrocatalysis. The entropy-driven formation of HEA materials requires high temperatures and controlled cooling rates. However, catalysts in general also require highly dispersed materials, , nanoparticles.

Nanoconfined anti-oxidizing RAFT nitroxide radical polymer for reduction of low-density lipoprotein oxidation and foam cell formation.

Atherosclerosis is a leading cause of death worldwide. Antioxidant therapy has been considered a promising treatment modality for atherosclerosis, since reactive oxygen species (ROS) play a major role in the pathogenesis of atherosclerosis. We developed ROS-scavenging antioxidant nanoparticles (NPs) that can serve as an effective therapy for atherosclerosis.

A Preliminary Study of Magnetosphere-Ionosphere-Thermosphere Coupling at Jupiter: Juno Multi-Instrument Measurements and Modeling Tools.

The dynamics of the Jovian magnetosphere are controlled by the interplay of the planet's fast rotation, its main iogenic plasma source and its interaction with the solar wind. Magnetosphere-Ionosphere-Thermosphere (MIT) coupling processes controlling this interplay are significantly different from their Earth and Saturn counterparts. At the ionospheric level, they can be characterized by a set of key parameters: ionospheric conductances, electric currents and fields, exchanges of particles along field lines, Joule heating and particle energy deposition.

Combining stereo-video monitoring and physiological trials to estimate reef fish metabolic demands in the wild.

Organismal metabolic rates (MRs) are the basis of energy and nutrient fluxes through ecosystems. In the marine realm, fishes are some of the most prominent consumers. However, their metabolic demand in the wild (field MR [FMR]) is poorly documented, because it is challenging to measure directly.

The low overpotential regime of acidic water oxidation part I: the importance of O detection.

The high overpotential required for the oxygen evolution reaction (OER) represents a significant barrier for the production of closed-cycle renewable fuels and chemicals. Ruthenium dioxide is among the most active catalysts for OER in acid, but the activity at low overpotentials can be difficult to measure due to high capacitance. In this work, we use electrochemistry - mass spectrometry to obtain accurate OER activity measurements spanning six orders of magnitude on a model series of ruthenium-based catalysts in acidic electrolyte, quantifying electrocatalytic O production at potential as low as 1.

Migraine-Associated Mutation in the Na,K-ATPase Leads to Disturbances in Cardiac Metabolism and Reduced Cardiac Function.

Background Mutations in gene encoding the Na,K-ATPase α isoform are associated with familial hemiplegic migraine type 2. Migraine with aura is a known risk factor for heart disease. The Na,K-ATPase is important for cardiac function, but its role for heart disease remains unknown.

Get up early: Revealing behavioral responses of sandeel to ocean warming using commercial catch data.

Warming of the oceans and shifts in the timing of annual key events are likely to cause behavioral changes in species showing a high degree of site fidelity. While this is well studied in terrestrial systems, there are fewer examples from the marine environment. Sandeel () is a small eel-shaped teleost fish with strong behavioral attachment to sandy habitats in which they are buried from late summer through winter.

Metabolic Alterations in Older Women With Low Bone Mineral Density Supplemented With .

Osteoporosis and its associated fractures are highly prevalent in older women. Recent studies have shown that gut microbiota play important roles in regulating bone metabolism. A previous randomized controlled trial (RCT) found that supplementation with ATCC PTA 6475 () led to substantially reduced bone loss in older women with low BMD.

Moving towards a holistic approach for human health risk assessment - Is the current approach fit for purpose?

It is recognised that new scientific improvements and their integration in risk assessment, as outlined in the National Academies of Sciences, Engineering and Medicine 2017 report, have the potential to improve human health risk assessments by enabling a mechanistic understanding of adverse effects and more accurate predictions of biological responses. Here, I discuss why such improvements are needed and can ease a paradigm shift in human health risk assessment. The current approach to human health risk assessment is limited by several elements: (1) the relevance of data is debatable, as they are largely based on animal models that are poorly predictive for complex endpoints, raise challenges with regard to interspecies extrapolations, and are seldom informative of the mechanism underlying the observed effects; (2) lack of flexibility in data requirements by regulators, which limits the uptake of new scientific developments in a timely manner; and (3) lack of data accessibility, which makes data integration difficult.

The role of an interface in stabilizing reaction intermediates for hydrogen evolution in aprotic electrolytes.

By combining idealized experiments with realistic quantum mechanical simulations of an interface, we investigate electro-reduction reactions of HF, water and methanesulfonic acid (MSA) on the single crystal (111) facets of Au, Pt, Ir and Cu in organic aprotic electrolytes, 1 M LiPF in EC/EMC 3:7W (LP57), the aprotic electrolyte commonly used in Li-ion batteries, 1 M LiClO in EC/EMC 3:7W and 0.2 M TBAPF in 3 : 7 EC/EMC. In our previous work, we have established that LiF formation, accompanied by H evolution, is caused by a reduction of HF impurities and requires the presence of Li at the interface, which catalyzes the HF dissociation.

Correction: Impact of physical structure of granular sludge on methanogenesis and methanogenic community structure.

[This corrects the article DOI: 10.1039/C9RA04257A.].

Impact of physical structure of granular sludge on methanogenesis and methanogenic community structure.

Physical structures of sludge are critical factors determining the performance of the anaerobic digestion process, especially for the rate-limiting step, methanogenesis. Thus, to evaluate the effect of granular physical structure on methanogenesis and methanogenic community variation, intact and disintegrated granules were applied as inocula with formate, hydrogen and acetate as sole substrates in batch reactors. Kinetics results revealed that the physical structure of sludge had little impact on methane yield potential from three substrates, while a significantly different impact on methanogenesis rates of formate, hydrogen and acetate.

Delayed insulin absorption correlates with alterations in subcutaneous depot kinetics in rats with diet-induced obesity.

Objective: Obesity is associated with delayed insulin absorption upon subcutaneous (s.c.) dosing in humans.

Genetic analyses reveal complex dynamics within a marine fish management area.

Genetic data have great potential for improving fisheries management by identifying the fundamental management units-that is, the biological populations-and their mixing. However, so far, the number of practical cases of marine fisheries management using genetics has been limited. Here, we used Atlantic cod in the Baltic Sea to demonstrate the applicability of genetics to a complex management scenario involving mixing of two genetically divergent populations.

Markers of Basement Membrane Remodeling Are Associated With Higher Mortality in Patients With Known Atherosclerosis.

Background Patients with atherosclerosis have a high risk of cardiovascular events and death. Atherosclerosis is characterized by accumulation of lipids, cells and extracellular matrix proteins in the intima. We hypothesized that dysregulated remodeling of the basement membrane proteins may be associated with clinical outcomes in patients with atherosclerosis.

Performance, process kinetics and functional microbial community of biocatalyzed electrolysis-assisted anaerobic baffled reactor treating carbohydrate-containing wastewater.

In this study, an anaerobic baffled reactor (ABR) coupled with a microbial electrolysis cell (MEC) was set up to treat carbohydrate-containing wastewater at 55 ± 1 °C. The MEC was employed to accelerate the degradation of volatile fatty acids (VFAs). The removal of chemical oxygen demand (COD) and production of methane and the corresponding kinetics were determined for different organic load rates (OLRs).

Upstream Freshwater and Terrestrial Sources Are Differentially Reflected in the Bacterial Community Structure along a Small Arctic River and Its Estuary.

Glacier melting and altered precipitation patterns influence Arctic freshwater and coastal ecosystems. Arctic rivers are central to Arctic water ecosystems by linking glacier meltwaters and precipitation with the ocean through transport of particulate matter and microorganisms. However, the impact of different water sources on the microbial communities in Arctic rivers and estuaries remains unknown.

The use of dynamic nuclear polarization (13)C-pyruvate MRS in cancer.

In recent years there has been an immense development of new targeted anti-cancer drugs. For practicing precision medicine, a sensitive method imaging for non-invasive, assessment of early treatment response and for assisting in developing new drugs is warranted. Magnetic Resonance Spectroscopy (MRS) is a potent technique for non-invasive in vivo investigation of tissue chemistry and cellular metabolism.

Rumen microbial communities influence metabolic phenotypes in lambs.

The rumen microbiota is an essential part of ruminants shaping their nutrition and health. Despite its importance, it is not fully understood how various groups of rumen microbes affect host-microbe relationships and functions. The aim of the study was to simultaneously explore the rumen microbiota and the metabolic phenotype of lambs for identifying host-microbe associations and potential biomarkers of digestive functions.

Tracking neuronal marker expression inside living differentiating cells using molecular beacons.

Monitoring gene expression is an important tool for elucidating mechanisms of cellular function. In order to monitor gene expression during nerve cell development, molecular beacon (MB) probes targeting markers representing different stages of neuronal differentiation were designed and synthesized as 2'-O-methyl RNA backbone oligonucleotides. MBs were transfected into human mesencephalic cells (LUHMES) using streptolysin-O-based membrane permeabilization.

The global establishment of a highly-fluoroquinolone resistant Salmonella enterica serotype Kentucky ST198 strain.

While the spread of Salmonella enterica serotype Kentucky resistant to ciprofloxacin across Africa and the Middle-East has been described recently, the presence of this strain in humans, food, various animal species (livestock, pets, and wildlife) and in environment is suspected in other countries of different continents. Here, we report results of an in-depth molecular epidemiological study on a global human and non-human collection of S. Kentucky (n = 70).

SCCmec Type IX Element in Methicillin Resistant Staphylococcusaureusspa Type t337 (CC9) Isolated from Pigs and Pork in Thailand.

Methicillin resistant Staphylococcusaureus (MRSA) have emerged among livestock in several countries. In this study, we describe the results of a screening performed in pigs and raw pork samples in Thailand. Ten pork samples and 15 nasal swabs from pigs were collected from 2 markets and 1 pig farm in the Samuth Songkhram province in Thailand.