Recycling of spent solid CO2 adsorbents via catalytic pyrolysis for the recovery of mesoporous silica and valuable heteroaromatic chemicals

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Nuclear Resonance Vibrational Spectroscopy of Iron Sulfur Proteins

Nuclear inelastic scattering in conjunction with density functional theory (DFT) calculations has been applied for the identification of vibrational modes of the high-spin ferric and the high-spin ferrous iron-sulfur center of a rubredoxin-type protein from the thermophylic bacterium Pyrococcus abysii

Structure of the Hemagglutinin Precursor Cleavage Site, a Determinant of Influenza Pathogenicity and the Origin of the Labile Conformation

AbstractThe membrane fusion potential of influenza HA, like many viral membrane-fusion glycoproteins, is generated by proteolytic cleavage of a biosynthetic precursor. The three-dimensional structure of ectodomain of the precursor HA0 has been determined and compared with that of cleaved HA. The cleavage site is a prominent surface loop adjacent to a novel cavity; cleavage results in structural rearrangements in which the nonpolar amino acids near the new amino terminus bury ionizable residues in the cavity that are implicated in the low-pH-induced conformational change. Amino acid insertions at the cleavage site in HAs of virulent avian viruses and those of viruses isolated from the recent severe outbreak of influenza in humans in Hong Kong would extend this surface loop, facilitating intracellular cleavage

DFT Calculations as a Tool to Analyse Quadrupole Splittings of Spin Crossover Fe(II) complexes

Density functional methods have been applied to calculate the quadrupole splitting of a series of iron(II) spin crossover complexes. Experimental and calculated values are in reasonable agreement. In one case spin-orbit coupling is necessary to explain the very small quadrupole splitting value of 0.77 mm/s at 293 K for a high-spin isomer

Domestication as innovation : the entanglement of techniques, technology and chance in the domestication of cereal crops

The origins of agriculture involved pathways of domestication in which human behaviours and plant genetic adaptations were entangled. These changes resulted in consequences that were unintended at the start of the process. This paper highlights some of the key innovations in human behaviours, such as soil preparation, harvesting and threshing, and how these were coupled with genetic ‘innovations’ within plant populations. We identify a number of ‘traps’ for early cultivators, including the needs for extra labour expenditure on crop-processing and soil fertility maintenance, but also linked gains in terms of potential crop yields. Compilations of quantitative data across a few different crops for the traits of nonshattering and seed size are discussed in terms of the apparently slow process of domestication, and parallels and differences between different regional pathways are identified. We highlight the need to bridge the gap between a Neolithic archaeobotanical focus on domestication and a focus of later periods on crop-processing activities and labour organization. In addition, archaeobotanical data provide a basis for rethinking previous assumptions about how plant genetic data should be related to the origins of agriculture and we contrast two alternative hypotheses: gradual evolution with low selection pressure versus metastable equilibrium that prolonged the persistence of ‘semi-domesticated’ populations. Our revised understanding of the innovations involved in plant domestication highlight the need for new approaches to collecting, modelling and integrating genetic data and archaeobotanical evidence

Upper ocean manifestations of a reducing meridional overturning circulation

Most climate models predict a slowing down of the Atlantic Meridional Overturning Circulation during the 21st century. Using a 100year climate change integration of a high resolution coupled climate model, we show that a 5.3Sv reduction in the deep southward transport in the subtropical North Atlantic is balanced solely by a weakening of the northward surface western boundary current, and not by an increase in the southward transport integrated across the interior ocean away from the western boundary. This is consistent with Sverdrup balance holding to a good approximation outside of the western boundary region on decadal time scales, and may help to spatially constrain past and future change in the overturning circulation. The subtropical gyre weakens by 3.4Sv over the same period due to a weakened wind stress curl. These changes combine to give a net 8.7Sv reduction in upper western boundary transport. © 2012. American Geophysical Union. All Rights Reserved

Recruitment of ethnic minority patients to a cardiac rehabilitation trial: The Birmingham Rehabilitation Uptake Maximisation (BRUM) study [ISRCTN72884263]

Background: Concerns have been raised about low participation rates of people from minority ethnic groups in clinical trials. However, the evidence is unclear as many studies do not report the ethnicity of participants and there is insufficient information about the reasons for ineligibility by ethnic group. Where there are data, there remains the key question as to whether ethnic minorities more likely to be ineligible (e.g. due to language) or decline to participate. We have addressed these questions in relation to the Birmingham Rehabilitation Uptake Maximisation (BRUM) study, a randomized controlled trial (RCT) comparing a home-based with a hospital-based cardiac rehabilitation programme in a multi-ethnic population in the UK. Methods: Analysis of the ethnicity, age and sex of presenting and recruited subjects for a trial of cardiac rehabilitation in the West-Midlands, UK. Participants: 1997 patients presenting post-myocardial infarction, percutaneous transluminal coronary angioplasty or coronary artery bypass graft surgery. Data collected: exclusion rates, reasons for exclusion and reasons for declining to participate in the trial by ethnic group. Results: Significantly more patients of South Asian ethnicity were excluded (52% of 'South Asian' v 36% 'White European' and 36% 'Other', p < 0.001). This difference in eligibility was primarily due to exclusion on the basis of language (i.e. the inability to speak English or Punjabi). Of those eligible, similar proportions were recruited from the different ethnic groups (white, South Asian and other). There was a marked difference in eligibility between people of Indian, Pakistani or Bangladeshi origin

Synthesis of 3-D coronal-solar wind energetic particle acceleration modules

1. Introduction Acute space radiation hazards pose one of the most serious risks to future human and robotic exploration. Large solar energetic particle (SEP) events are dangerous to astronauts and equipment. The ability to predict when and where large SEPs will occur is necessary in order to mitigate their hazards. The Coronal-Solar Wind Energetic Particle Acceleration (C-SWEPA) modeling effort in the NASA/NSF Space Weather Modeling Collaborative [Schunk, 2014] combines two successful Living With a Star (LWS) (http://lws. gsfc.nasa.gov/) strategic capabilities: the Earth-Moon-Mars Radiation Environment Modules (EMMREM) [Schwadron et al., 2010] that describe energetic particles and their effects, with the Next Generation Model for the Corona and Solar Wind developed by the Predictive Science, Inc. (PSI) group. The goal of the C-SWEPA effort is to develop a coupled model that describes the conditions of the corona, solar wind, coronal mass ejections (CMEs) and associated shocks, particle acceleration, and propagation via physics-based modules. Assessing the threat of SEPs is a difficult problem. The largest SEPs typically arise in conjunction with X class flares and very fast (\u3e1000 km/s) CMEs. These events are usually associated with complex sunspot groups (also known as active regions) that harbor strong, stressed magnetic fields. Highly energetic protons generated in these events travel near the speed of light and can arrive at Earth minutes after the eruptive event. The generation of these particles is, in turn, believed to be primarily associated with the shock wave formed very low in the corona by the passage of the CME (injection of particles from the flare site may also play a role). Whether these particles actually reach Earth (or any other point) depends on their transport in the interplanetary magnetic field and their magnetic connection to the shock

Fast regeneration of activated carbons saturated with textile dyes: Textural, thermal and dielectric characterization

This study presents an investigation for comparing the regeneration process of two activated carbons saturated with Basic Blue 9 (BB9) and Acid Blue 93 (AB93) using conventional (250–500 °C) and microwave heating (100–300 W). The effect of the textile dye used on the regeneration performance was analyzed by determining their dielectric properties using the perturbation cavity method from 20 to 600 °C and by TG/DTG analysis. The efficacy of the regenerated carbons was investigated by their physical properties characterized by pore structural analysis using N2 adsorption isotherms. Results showed only 3 min are required by microwaves to achieve similar textural parameters obtained by conventional heating at 190 min. The results indicate that the adsorbate plays a determining role on the regeneration efficiency as results of their interaction with the adsorbent, being easily regenerated when AB93 is the adsorbate. The adsorption capacity of microwave regenerated samples for AB93 and BB9 was 192–240 and 154–175 mg/g, respectively. Additionally, the equilibrium isotherms were simulated using the Langmuir and Freundlich isotherms models and the results suggest the textile dye removal is achieved on multilayer adsorption