B18-Core EXAFS
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Diamond Proposal Number(s):
[37736]
Open Access
Abstract: Calcium aluminosilicate (CAS) glass was assessed for its ability to immobilize elements present in Plutonium-Contaminated Materials (PCM) including metals (Fe and Cr), polyvinyl chloride (PVC), and Pu (investigated using the nonradioactive surrogates Ce and Hf). Industrial-scale trial melts containing simulant inorganic and organic PCM were characterized to ascertain glass homogeneity, structure, and chemical durability. They were highly durable, comprising a glassy matrix with anorthite (CaAl2Si2O8) crystals. Redox conditions were such that 5–7 mol % Fe, from the melted steel drums, was incorporated in the glass phase, predominantly as Fe2+ in place of Ca, with no significant change to the glass structure. The solubility of Ce and Hf (as Pu surrogates), mixed metal, and PVC in CAS glass was investigated using a series of laboratory-scale melts and shown to exceed those measured in borosilicate glasses. Ce was incorporated in a mixed Ce3+/4+ valence state up to waste loadings of > 3.66 mol % CeO2, while Hf4+ was incorporated to the same extent with no significant change to the CAS structure. Fe was fully incorporated up to 3.43 mol %, but the solubility limit for Cr2O3 was reached between 0.5 and 1 mol %. Laboratory glasses were melted in air, so the majority of Fe was incorporated as Fe3+ in tetrahedral coordination, leading to structural differences between laboratory- and industrial-scale CAS. Chlorine incorporation was low in all systems, likely due to volatilization rather than approaching the solubility limit of Cl in CAS glass.
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Oct 2026
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I03-Macromolecular Crystallography
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Diamond Proposal Number(s):
[34263]
Open Access
Abstract: Deoxyuridine triphosphatase (dUTPase) is essential for DNA replication fidelity and embryonic development in metazoa, yet whether a protein inhibitor can acutely disrupt dUTPase function in a living vertebrate has not been tested. The Staphylococcus aureus Stl protein inhibits diverse dUTPases in vitro, but its efficacy in a eukaryotic organism was unknown. We determined the crystal structure of zebrafish dUTPase in complex with the N-terminal Stl fragment to 2.26 Å resolution, revealing conserved active-site engagement and displacement of the C-terminal arm. Biolayer interferometry confirmed low-nanomolar binding affinity with KD = 0.7 nM, and enzyme assays demonstrated ~50% inhibition of zebrafish dUTPase activity at saturating Stl concentrations. These structural and biophysical data establish that Stl forms a tight inhibitory complex with zebrafish dUTPase, prompting us to test whether this interaction can perturb enzyme function in vivo. Microinjection of Stl or its point mutant, retaining dUTPase-inhibitory activity but unable to bind DNA, into fertilized zebrafish oocytes reduces embryo survival to ~60% within 48 h compared to ~90% in controls, demonstrating that lethality depends on dUTPase targeting rather than DNA binding. Accelerated mortality relative to genetic dUTPase knockout indicates that maternally deposited dUTPase supports viability during early cleavage. Stl thus acts as an immediate, proteinaceous dUTPase inhibitor in a living vertebrate, providing a tool to dissect dUTPase function and regulation during embryonic development.
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Oct 2026
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E02-JEM ARM 300CF
I15-Extreme Conditions
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Yizhe
Li
,
Ziqi
Yang
,
Ying
Chen
,
Zhenbo
Zhang
,
Yun-Long
Tang
,
Matthew
Smith
,
Matthew
Lindley
,
Xuezhen
Cao
,
Annette K.
Kleppe
,
Egor
Koemets
,
David G.
Hopkinson
,
Andrew J.
Bell
,
Steven J.
Milne
,
Antonio
Feteira
,
Sarah J.
Haigh
,
Alexander S.
Eggeman
,
Juncheng
Pan
,
Jiajun
Shi
,
Yuge
Yang
,
David A.
Hall
Diamond Proposal Number(s):
[32443, 36588]
Open Access
Abstract: Interfaces in oxide heterostructures act as critical regions to induce emergent and novel types of functionality in thin films. Herein, we demonstrate the creation of bulk ferroelectric heterostructures (BFHs) in monolithic ferroelectrics by nanoscale elemental partitioning, unlocking functionalities beyond the reach of conventional ferroelectrics and thin-film devices. The unique percolating, compositionally modulated networks act as built-in heterointerfaces that generate coupled ferroelectric-electrostatic-elastic fields, which stabilize charged domain walls and imprint predefined domain configurations throughout the bulk. In exemplar BiFeO3-BaTiO3 ceramics, the BFH approach raises the Curie temperature to 824°C (increment ΔTC > 350°C) and yields superior high-temperature piezoelectric responses (d33 > 400 picocoulombs per newton, k33 > 0.4), surpassing those of existing high-temperature piezoelectrics. Domain-engineered BFHs further unlock programmable control of domain switching, enabling the strongest yet tunable internal bias fields (>8 megavolts per meter) in bulk materials and record-high reversible shear electrostrains (up to 0.98%) at supercoercive field levels. The BFH design concept provides a transformative platform for next-generation ferroelectric and electromechanical transduction devices with extended temperature, high-power, and high-stress capability. It also establishes a universal framework for programmable control across ferroic families, including ferroelastic, ferromagnetic, and multiferroic materials in polycrystalline, single-crystal, and thin-film forms.
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Oct 2026
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I11-High Resolution Powder Diffraction
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Diamond Proposal Number(s):
[36314]
Open Access
Abstract: Ocean-bearing icy worlds may harbour the necessary conditions for life, but we do not yet understand the processes that deliver ocean fluids to the surface where they are accessible to spacecraft. We demonstrate that hydrates of sodium-chloride (NaCl), a constituent of icy world oceans, record the thermal conditions experienced by NaCl rich fluids as they freeze. Through laboratory experiments, we identify four distinct NaCl-H2O assemblages, comprising crystalline and amorphous phases. The specific phase assemblage produced by freezing of brine depends on both the cooling rate and the initial brine salinity, with the production of metastable phases favoured at lower salinities and faster cooling rates. Different NaCl–H₂O assemblages exhibit characteristic near-infrared signatures that may provide a valuable tool for interpreting data collected by upcoming orbital missions to icy worlds. These results establish that the NaCl-H2O solid phase composition could be used as a new diagnostic probe of cryogenic processes on icy worlds, providing a means to reconstruct geological history of ocean-derived surface material and enabling space missions to assess the evolution of icy worlds across the outer Solar System.
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Sep 2026
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I04-Macromolecular Crystallography
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Diamond Proposal Number(s):
[32728]
Open Access
Abstract: Plant intracellular immune receptors are widely deployed in breeding to protect crops from disease. In addition to nucleotide-binding leucine-rich repeat receptors (NLRs), tandem kinase proteins (TKPs) have recently emerged as an important family of immune receptors within staple cereal food crops, but how TKPs recognize effectors and whether they are amenable to engineering is essentially unknown. Here, we show that the barley and wheat TKPs Rmo2 and Rwt7 recognize different blast fungus effectors via their integrated HMA domains using different protein interfaces with nanomolar binding affinity. Structural analysis pinpointed interface residues that dictate effector recognition and enabled engineering of dual-specificity TKPs. These results establish integrated HMA domains as programmable modules within TKPs for designing new specificities in plant immunity for diseases relevant to global agriculture.
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Sep 2026
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B18-Core EXAFS
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Amaia
Green Etxabe
,
Rudo
Verweij
,
Nathaniel J.
Clark
,
Ryo
Sekine
,
Samuel
Harrison
,
William
Bennett
,
Carolin
Schultz
,
Stephen
Short
,
Marianne
Matzke
,
David
Spurgeon
,
Claus
Svendsen
,
Alex
Robinson
,
Geert
Cornelis
,
Sarah
Thacker
,
Alexander G.
Hunt
,
Hayley
Guyatt
,
Patrick
Keenan
,
M. Glória
Pereira
,
Elma
Lahive
Diamond Proposal Number(s):
[20319]
Open Access
Abstract: Understanding the environmental risks of engineered silver nanoparticles (Ag NPs) is complicated by transformation processes which occur in soil, such as dissolution and sulphidation, generating diverse Ag forms, altering bioavailability and uptake by organisms. Despite this, integrated studies linking nanoparticle speciation to plant uptake in soil systems remain limited, and gaps persist in understanding Ag transformations as a function of soil type and their consequences for bioavailability. Using complementary techniques we compared the speciation (XAS and spICP-MS), bioavailability, and uptake of three Ag forms, two Ag NPs (Ag NP, Ag2S NP) and AgNO3 (all at 10 mg kg−1), in wheat (Triticum aestivum L) grown in three different field soils over 27 days. Results showed that Ag forms were differentially bioavailable (Ag NPs >/≈ AgNO3 > Ag2S NP), and that soil type can have a pronounced influence on the extent of Ag uptake (approx. 7- to 15-fold variation for NPs across soils). Notably Ag2S NPs, though considered “less mobile”, can be more bioavailable to wheat than other Ag forms in some soil contexts. XAS speciation analysis revealed slower transformation dynamics in Woburn soil that may influence the overall pool of bioavailable Ag. While no single soil property fully explained the observed patterns, these findings indicate that intrinsic nanoparticle properties alone are not always sufficient to predict environmental behaviour in soil systems.
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Sep 2026
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B18-Core EXAFS
E02-JEM ARM 300CF
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Diamond Proposal Number(s):
[42584]
Open Access
Abstract: Sluggish kinetics of redox reactions and slow ion transport restrict the performance of lithium-sulfur (Li─S) batteries. Here, we fabricate cathodes containing vertically aligned porous structures hosting atomically dispersed Fe─N4 single-atom catalyst (SAC) sites on graphitic carbon nitride (g-C3N4). Density functional theory (DFT) calculations suggest that the Fe─N4 sites strengthen Li2S adsorption, optimize electronic structure, and lower the reaction energy change associated with liquid-solid transition and Li2S oxidation. Experimental results demonstrate that the atomically dispersed Fe─N4 sites in the vertically aligned porous cathodes made by directional ice templating (DIT) accelerate Li+ ion transport and enable high sulfur loading while exposing abundant catalytic centers, resulting in strong polysulfide affinity, promoted nucleation and decomposition of Li2S bidirectional redox catalysis, and suppressed polysulfide shuttle effect. Benefiting from this structural-catalytic synergy, the cathode delivers a high capacity of 1299.2 mAh g−1 at 0.1 C, and the capacity is retained at 505.9 mAh g−1 after 1 000 cycles at 0.5 C, with a low capacity decay rate of ∼0.042% per cycle. This study highlights a scalable strategy to integrate SAC with vertically aligned porous electrode architecture that promotes fast kinetics of sulfur redox in both directions and mass transport for Li─S batteries.
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Sep 2026
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DIAD-Dual Imaging and Diffraction Beamline
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Diamond Proposal Number(s):
[41953]
Open Access
Abstract: The development of efficient recycling processes for lithium-ion battery electrode materials is essential for sustainable battery technologies. TiNb2O7 (TNO) is an attractive high-power anode material, but recycling strategies remain largely unexplored. Here, we report a direct recycling approach for TNO anodes recovered from a cycled TNO/LiNi0.6Mn0.2Co0.2O2 cell. We find that residual lithium in recovered TNO promotes the formation of a lithiated rutile impurity phase and Ti2Nb10O29 during thermal processing, which degrades the electrochemical performance of the recovered TNO. Structural and compositional analyses reveal the origin of these phases and guide the development of a recycling route that combines hydrothermal lithium removal with a subsequent heat treatment, preventing impurity formation. Recycled TNO produced by this method delivers high capacity, excellent rate capability, and stable performance at high current densities, achieving 279 (5) and 261 (10) mA h g−1 at 2 and 4 A g−1, respectively, comparable to commercial TNO. These results demonstrate a viable direct recycling strategy for TNO anodes.
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Sep 2026
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I13-2-Diamond Manchester Imaging
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Diamond Proposal Number(s):
[37837, 33810]
Open Access
Abstract: Braid angle is a key design variable for braided composite tubes, yet its role in governing damage evolution in multilayer tubular architectures under torsion remains insufficiently understood. Here, time-resolved in-situ synchrotron X-ray computed tomography (CT) has been used to investigate the torsional behaviour of double-layer 1/1 braided CFRP tubes with braid angles of 30° (DL30), 45° (DL45) and 60° (DL60). Increasing braid angle progressively increased wall thickness and tow crimp, while the effective fibre volume fraction varied only modestly and non-monotonically. These architectural changes produced distinct mechanical responses: DL45 and DL60 exhibit higher tube-level torsional stiffness whereas DL30 displays the highest shear modulus and torsional strength. Damage accumulation is strongly braid-angle dependent. At higher strain levels, intra-tow cracking, inter-tow debonding and inter-laminar debonding all markedly reduce as braid angle increases. The predominant damage mechanism also changes: DL30 develops a rapidly connected damage network (intra-tow cracking and inter-tow/laminar debonding) promoting microscale fibre kinking/buckling and further fibre breakage, leading to an abrupt post-peak loss of strength; DL45 showed more distributed damage accumulation and the highest post-peak strength; while DL60 exhibited delayed, weakly connected damage evolution with the lowest overall level of damage accumulation. These results suggest that angle-graded multilayer designs could combine lower-angle regions for reduced tow crimp, higher shear modulus and strength, with intermediate or higher-angle regions for damage suppression and stable post-peak performance.
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Sep 2026
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I18-Microfocus Spectroscopy
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Diamond Proposal Number(s):
[34404]
Open Access
Abstract: While nuclear energy contributes significantly to the global energy supply, the long-term management of radioactive waste remains challenging. Deep geological repositories, in which the waste is buried within a low-permeability host rock, are considered the safest storage option. However, hydrogen gas (H2) generated by steel container corrosion may accumulate and create an overpressure that threatens host rock integrity. Access tunnels will be filled with gas-permeable material (such as a sand-bentonite mixture) that mechanically lowers pressure by gas diffusion, but microbial H2 consumption is key to enhancing safety and cost-effectiveness. Hydrogenotrophy is well established in deep subsurface sulfate-reducing bacteria, whereas the activity of other hydrogenotrophs under H2-replete conditions remains poorly constrained. This study examines microbial H2 consumption under repository-relevant conditions in partially saturated sand-bentonite exposed to elevated H2 concentrations. Over 3 months, continuous gas composition and pressure monitoring showed rapid H2 depletion driven by its microbial oxidation coupled to sulfate reduction, methanogenesis, and iron reduction. Water saturation and electron acceptor availability strongly controlled H2 consumption rates. These results clarify the constraints on microbial H2 oxidation in deep geological repositories and inform safety assessments related to gas-induced overpressure.
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Sep 2026
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