The dissociation of CO serves both as a model test reaction on single crystals and as a relevant reaction step for industrial methanation. We combined extensive density functional theory ...calculations, ultra-high vacuum experiments on well-defined single crystals, and catalytic activity measurements on supported catalysts in a study of the dissociation mechanism of CO on Ni surfaces. We found that this process is highly structure-sensitive and also is sensitive to the presence of hydrogen: Under ultra-high vacuum, with no hydrogen present, the dissociation proceeds through a direct route in which only undercoordinated sites (e.g., steps) are active. Under methanation conditions, the dissociation also proceeds most favorably over undercoordinated sites, but through a COH species. PUBLICATION ABSTRACT
Hypertension is a rising global burden, and low- and middle-income countries account for 80% of deaths due to complications of hypertension. Hypertension can be controlled by adhering to ...anti-hypertensive medication. However, non-adherence is an increasing challenge. This review aims to systematically evaluate non-adherence to anti-hypertensive medication among adults in low- and middle-income countries and explore factors affecting non-adherence to anti-hypertensive medication. We performed a systematic search for studies published between 1 January 2000 and 31 August 2015. A selection process was performed for data extraction with a combination of Medical Subject Headings terms: 'hypertension' and 'adherence'. Further search criteria were: language ('english'), species ('humans'), and low- and middle-income countries. A total of 22 studies met the inclusion criteria. The pooled percentage of non-adherence when using the eight-item Morisky Medication Adherence Scale (MMAS) was 63.35% (confidence of interval (CI): 38.78-87.91) and 25.45% (CI:17.23-33.76) when using the 80 and 90% cut-off scales. The factors were classified into the five dimensions of adherence defined by the World Health Organization, and the majority of the studies reported factors from the dimension 'social and economic factors'. This systematic review demonstrated considerable variation of non-adherence to anti-hypertensive medication in low- and middle-income countries depending on the methods used to estimate non-adherence. The results showed a high non-adherence when the MMAS eight-item scale was used and low when the 80 and 90% cut-off scales were used. The majority of factors affecting non-adherence to anti-hypertensive medication fell within the World Health Organization defined dimension 'social and economic factors'.
One of the common tendencies of animal production activities in Europe and in developed countries in general is to intensify the animal production and to increase the size of the animal production ...units. High livestock density is always accompanied by production of a surplus of animal manure, representing a considerable pollution threat for the environment in these areas. Avoiding over-fertilization is not only important for environmental protection reasons but also for economical reasons. Intensive animal production areas need therefore suitable manure management, aiming to export and to redistribute the excess of nutrients from manure and to optimize their recycling.
Anaerobic digestion of animal manure and slurries offers several benefits by improving their fertilizer qualities, reducing odors and pathogens and producing a renewable fuel – the biogas.
The EU policies concerning renewable energy systems (RES) have set forward a fixed goal of supplying 20% of the European energy demands from RES by year 2020. A major part of the renewable energy will originate from European farming and forestry. At least 25% of all bioenergy in the future can originate from biogas, produced from wet organic materials such as: animal manure, whole crop silages, wet food and feed wastes, etc.
The 'standard' model of cosmology is founded on the basis that the expansion rate of the universe is accelerating at present - as was inferred originally from the Hubble diagram of Type Ia ...supernovae. There exists now a much bigger database of supernovae so we can perform rigorous statistical tests to check whether these 'standardisable candles' indeed indicate cosmic acceleration. Taking account of the empirical procedure by which corrections are made to their absolute magnitudes to allow for the varying shape of the light curve and extinction by dust, we find, rather surprisingly, that the data are still quite consistent with a constant rate of expansion.
We develop the grand canonical potential kinetics (GCP-K) formulation based on thermodynamics from quantum mechanics calculations to provide a fundamental basis for understanding heterogeneous ...electrochemical reactions. Our GCP-K formulation arises naturally from minimizing the free energy using a Legendre transform relating the net charge of the system and the applied voltage. Performing this macroscopic transformation explicitly allows us to make the connection of GCP-K to the traditional Butler–Volmer kinetics. Using this GCP-K based free energy, we show how to predict both the potential and pH dependent chemistry for a specific example, the hydrogen evolution reaction (HER) at a sulfur vacancy on the basal plane of MoS2. We find that the rate-determining steps in both acidic and basic conditions are the Volmer reaction in which the second hydrogen atom is adsorbed from the solution. Using the GCP-K formulation, we show that the stretched bond distances change continuously as a function of the applied potential. This shows that the main reason for the higher activity in basic conditions is that the transition state is closer to the product, which leads to a more favorable Tafel slope of 60 mV/dec. In contrast if the transition state were closer to the reactant, where the transfer coefficient is less than 0.5 we would obtain a Tafel slope of almost 150 mV/dec. Based on this detailed understanding of the reaction mechanism, we conclude that the second hydrogen at the chalcogenide vacant site is the most active toward the hydrogen evolution reaction. Using this as a descriptor, we compare it to the other 2H group VI metal dichalcogenides and predict that vacancies on MoTe2 will have the best performance toward HER.
A useful introduction to the social, political, cultural and religious position of Muslims living in contemporary Europe. It describes the history of early European Muslims and outlines the causes ...and courses of twentieth-century Muslim immigration.
This critical review addresses the atmospheric gas phase and aqueous phase amine chemistry that is relevant to potential emissions from amine-based carbon capture and storage (CCS). The focus is on ...amine, nitrosamine and nitramine degradation, and nitrosamine and nitramine formation processes. A comparison between the relative importance of the various atmospheric sinks for amines, nitrosamines and nitramines is presented.
There is an unmet need for high‐quality liquid biomarkers that can safely and reproducibly predict the stage of fibrosis and the outcomes of chronic liver disease (CLD). The requirement for such ...markers has intensified because of the high global prevalence of diseases such as non‐alcoholic fatty liver disease (NAFLD). In particular, there is a need for diagnostic and prognostic tools, as well as predictive biomarkers that reflect the efficacy of interventions, as described by the BEST criteria (Biomarkers, EndpointS, and other Tools Resource). This review covers the various liver collagens, their functional role in tissue homeostasis and delineates the common nomenclature for biomarkers based on BEST criteria. It addresses the common confounders affecting serological biomarkers, and describes defined collagen epitope biomarkers that originate from the dynamic processes of extracellular matrix (ECM) remodelling during liver injury.
Abstract
Understanding the distribution and abundance of heat tolerant corals across seascapes is imperative for predicting responses to climate change and to support novel management actions. ...Thermal tolerance is variable in corals and intrinsic and extrinsic drivers of tolerance are not well understood. Traditional experimental evaluations of coral heat and bleaching tolerance typically involve ramp-and-hold experiments run across days to weeks within aquarium facilities with limits to colony replication. Field-based acute heat stress assays have emerged as an alternative experimental approach to rapidly quantify heat tolerance in many samples yet the role of key methodological considerations on the stress response measured remains unresolved. Here, we quantify the effects of coral fragment size, sampling time point, and physiological measures on the acute heat stress response in adult corals. The effect of fragment size differed between species (
Acropora tenuis
and
Pocillopora damicornis
). Most physiological parameters measured here declined over time (tissue colour, chlorophyll-
a
and protein content) from the onset of heating, with the exception of maximum photosynthetic efficiency (
F
v
/
F
m
) which was surprisingly stable over this time scale. Based on our experiments, we identified photosynthetic efficiency, tissue colour change, and host-specific assays such as catalase activity as key physiological measures for rapid quantification of thermal tolerance. We recommend that future applications of acute heat stress assays include larger fragments (> 9 cm
2
) where possible and sample between 10 and 24 h after the end of heat stress. A validated high-throughput experimental approach combined with cost-effective genomic and physiological measurements underpins the development of markers and maps of heat tolerance across seascapes and ocean warming scenarios.
Most available wheel/rail interaction models for the prediction of impact forces caused by wheel flats use a Hertzian spring as contact model and do not account for the changes in contact stiffness ...due to the real three-dimensional wheel flat geometry. In the literature, only little information is available on how this common simplification influences the calculation results. The aim of this paper is to study the influence of contact modelling on simulated impact forces due to wheel flats in order to determine the errors introduced by simplified approaches. For this purpose, the dynamic wheel/rail interaction is investigated with a time-domain model including a three-dimensional (3D) non-Hertzian contact model based on Kalker's variational method. The simulation results are compared with results obtained using a two-dimensional (2D) non-Hertzian contact model consisting of a Winkler bedding of independent springs or alternatively a single non-linear Hertzian contact spring. The relative displacement input to the Hertzian model is either the wheel profile deviation due to the wheel flat or the pre-calculated vertical wheel centre trajectory. Both the 2D model and the Hertzian spring with the wheel centre trajectory as input give rather similar results to the 3D model, the former having the tendency to slightly underestimate the maximum impact force and the latter to slightly overestimate. The Hertzian model with the wheel profile deviation as input can however lead to large errors in the result. Leaving aside this contact model, the correct modelling of the longitudinal geometry of the wheel flat is actually seen to have a larger influence on the maximum impact force than the choice of contact model.
•The effect of contact modelling on impact forces due to wheel flats is studied.•Newly formed and rounded wheel flats are considered.•The 2D and Hertzian contact models give rather similar results to the 3D model.•For the Hertzian contact model, the wheel trajectory needs to be pre-calculated.•The longitudinal flat geometry is more important than the type of contact model.
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