Barium carbonate and barium titanate for ultra-high temperature thermochemical energy storage

The significance of energy storage should not be underestimated in enabling the growth of renewables on the path towards decarbonisation. In this research, a novel ultra-high temperature reactive carbonate composite, 2BaCO3:TiO2, is introduced. Upon heating, the composite initially forms a mixture of BaCO3:BaTiO3, which on further heating reacts to form Ba2TiO4 and CO2 in a reversible thermochemical reaction. The enthalpy and entropy of the carbonation reaction involving Ba2TiO4 were determined manometrically to be ∆H = 295 ± 9 kJ∙mol−1 of CO2 and ∆S = 214 ± 7 J∙K−1∙mol−1 of CO2, respectively. The CO2 cycling capacity of the composite was evaluated using a Sieverts apparatus and thermogravimetric analysis, and sintering was identified as a potential cause of capacity loss. The addition of nickel was employed to mitigate the effect of sintering, resulting in a stable reversible capacity of up to 50 % of the theoretical maximum. The composite's cyclic capacity retention, low cost, and high energy storage density make it a promising candidate for energy storage applications at ≈ 1100 °C, although improvement to the cyclic capacity would lead to a more favourable application potential

Molecular Mechanism for the Hofmeister Effect Derived from NMR and DSC Measurements on Barnase

The effects of sodium thiocyanate, sodium chloride, and sodium sulfate on the ribonuclease barnase were studied using differential scanning calorimetry (DSC) and NMR. Both measurements reveal specific and saturable binding at low anion concentrations (up to 250 mM), which produces localized conformational and energetic effects that are unrelated to the Hofmeister series. The binding of sulfate slows intramolecular motions, as revealed by peak broadening in 13 C heteronuclear single quantum coherence spectroscopy. None of the anions shows significant binding to hydrophobic groups. Above 250 mM, the DSC results are consistent with the expected Hofmeister effects in that the chaotropic anion thiocyanate destabilizes barnase. In this higher concentration range, the anions have approximately linear effects on protein NMR chemical shifts, with no evidence for direct interaction of the anions with the protein surface. We conclude that the effects of the anions on barnase are mediated by solvent interactions. The results are not consistent with the predictions of the preferential interaction, preferential hydration, and excluded volume models commonly used to describe Hofmeister effects. Instead, they suggest that the Hofmeister anion effects on both stability and solubility of barnase are due to the way in which the protein interacts with water molecules, and in particular with water dipoles, which are more ordered around sulfate anions and less ordered around thiocyanate anions

Thermochemical energy storage in SrCO3 composites with SrTiO3 or SrZrO3

Thermochemical energy storage offers a cost-effective and efficient approach for storing thermal energy at high temperature (∼1100 °C) for concentrated solar power and large-scale long duration energy storage. SrCO3 is a potential candidate as a thermal energy storage material due to its high energy density of 205 kJ/mol of CO2 during reversible CO2 release and absorption. However, it loses cyclic capacity rapidly due to sintering. This study determined that the cyclic capacity of SrCO3 was enhanced by the addition of either reactive SrTiO3 or inert SrZrO3, where the molar ratios of SrCO3 to SrZrO3 were varied from 1:0.125 to 1:1. Thermogravimetric analysis over 15 CO2 sorption cycles demonstrated that both materials retained ∼80 % of their maximum cyclic capacity on the milligram scale. Repeated measurements using gram scale samples revealed a decrease in maximum capacity to 11 % using a sample of SrCO3 – 0.5 SrZrO3 over 53 cycles, while the use of SrTiO3 additives allowed for the retention of 80 % maximum capacity over 55 cycles. These findings highlight the potential of reactive additives in enhancing the performance of thermochemical energy storage systems, while providing valuable insights for the development of cost-effective materials

Non-Newtonian effects in the peristaltic flow of a Maxwell fluid

We analyzed the effect of viscoelasticity on the dynamics of fluids in porous media by studying the flow of a Maxwell fluid in a circular tube, in which the flow is induced by a wave traveling on the tube wall. The present study investigates novelties brought about into the classic peristaltic mechanism by inclusion of non-Newtonian effects that are important, for example, for hydrocarbons. This problem has numerous applications in various branches of science, including stimulation of fluid flow in porous media under the effect of elastic waves. We have found that in the extreme non-Newtonian regime there is a possibility of a fluid flow in the direction {\it opposite} to the propagation of the wave traveling on the tube wall.Comment: to Appear in Phys. Rev. E., 01 September 2001 issu

Improved methodology for protein NMR structure calculation using hydrogen bond restraints and ANSURR validation: The SH2 domain of SH2B1

Protein structures calculated using NMR data are less accurate and less well-defined than they could be. Here we use the program ANSURR to show that this deficiency is at least in part due to a lack of hydrogen bond restraints. We describe a protocol to introduce hydrogen bond restraints into the structure calculation of the SH2 domain from SH2B1 in a systematic and transparent way and show that the structures generated are more accurate and better defined as a result. We also show that ANSURR can be used as a guide to know when the structure calculation is good enough to stop

1H, 13C, and 15N resonance assignments of a conserved putative cell wall binding domain from Enterococcus faecalis

Enterococcus faecalis is a major causative agent of hospital acquired infections. The ability of E. faecalis to evade the host immune system is essential during pathogenesis, which has been shown to be dependent on the complete separation of daughter cells by peptidoglycan hydrolases. AtlE is a peptidoglycan hydrolase which is predicted to bind to the cell wall of E. faecalis, via six C-terminal repeat sequences. Here, we report the near complete assignment of one of these six repeats, as well as the predicted backbone structure and dynamics. This data will provide a platform for future NMR studies to explore the ligand recognition motif of AtlE and help to uncover its potential role in E. faecalis virulence

An evolutionarily-unique heterodimeric voltage-gated cation channel found in aphids

We describe the identification in aphids of a unique heterodimeric voltage-gated sodium channel which has an atypical ion selectivity filter and, unusually for insect channels, is highly insensitive to tetrodotoxin. We demonstrate that this channel has most likely arisen by adaptation (gene fission or duplication) of an invertebrate ancestral mono(hetero)meric channel. This is the only identifiable voltage-gated sodium channel homologue in the aphid genome(s), and the channel’s novel selectivity filter motif (DENS instead of the usual DEKA found in other eukaryotes) may result in a loss of sodium selectivity, as indicated experimentally in mutagenised Drosophila channels

Possible symmetries of the superconducting order parameter in a hexagonal ferromagnet

We study the order parameter symmetry in a hexagonal crystal with co-existing superconductivity and ferromagnetism. An experimental example is provided by carbon-based materials, such as graphite-sulfur composites, in which an evidence of such co-existence has been recently discovered. The presence of a non-zero magnetization in the normal phase brings about considerable changes in the symmetry classification of superconducting states, compared to the non-magnetic case.Comment: 4 pages, REVTe

Two distinct lithium diffusive species for polymer gel electrolytes containing LiBF₄, propylene carbonate (PC) and PVDF

Polymer gel electrolytes have been prepared using lithium tetrafluoroborate (LiBF₄), propylene carbonate (PC) and polyvinylidene fluoride (PVDF) at 20% and 30% concentration by mass. Self diffusion coefficients have been measured using pulse field gradient nuclear magnetic resonance (PFG-NMR) for the cation and anion using ⁷Li and ¹⁹F resonant frequencies respectively. It was found that lithium ion diffusion was slow compared to the much larger fluorine anion likely resulting from a large solvation shell of the lithium. Lithium ion diffusion measurements exhibited two distinct diffusive species, whereas the fluorine ions exhibited only a single diffusive species

Molecular basis for bacterial peptidoglycan recognition by LysM domains.

Carbohydrate recognition is essential for growth, cell adhesion and signalling in all living organisms. A highly conserved carbohydrate binding module, LysM, is found in proteins from viruses, bacteria, fungi, plants and mammals. LysM modules recognize polysaccharides containing N-acetylglucosamine (GlcNAc) residues including peptidoglycan, an essential component of the bacterial cell wall. However, the molecular mechanism underpinning LysM-peptidoglycan interactions remains unclear. Here we describe the molecular basis for peptidoglycan recognition by a multimodular LysM domain from AtlA, an autolysin involved in cell division in the opportunistic bacterial pathogen Enterococcus faecalis. We explore the contribution of individual modules to the binding, identify the peptidoglycan motif recognized, determine the structures of free and bound modules and reveal the residues involved in binding. Our results suggest that peptide stems modulate LysM binding to peptidoglycan. Using these results, we reveal how the LysM module recognizes the GlcNAc-X-GlcNAc motif present in polysaccharides across kingdoms