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ANSTO Publications Online

Welcome to the ANSTO Institutional Repository known as APO.

The APO database has been migrated to version 8.3. The functionality has changed, but the content remains the same.

ANSTO Publications Online is a digital repository for publications authored by ANSTO staff since 2007. The Repository also contains ANSTO Publications, such as Reports and Promotional Material. ANSTO publications prior to 2007 continue to be added progressively as they are in identified in the library. ANSTO authors can be identified under a single point of entry within the database. The citation is as it appears on the item, even with incorrect spelling, which is marked by (sic) or with additional notes in the description field.

If items are only held in hardcopy in the ANSTO Library collection notes are being added to the item to identify the Dewey Call number: as DDC followed by the number.

APO will be integrated with the Research Information System which is currently being implemented at ANSTO. The flow on effect will be permission to publish, which should allow pre-prints and post prints to be added where content is locked behind a paywall. To determine which version can be added to APO authors should check Sherpa Romeo. ANSTO research is increasingly being published in open access due mainly to the Council of Australian University Librarians read and publish agreements, and some direct publisher agreements with our organisation. In addition, open access items are also facilitated through collaboration and open access agreements with overseas authors such as Plan S.

ANSTO authors are encouraged to use a CC-BY licence when publishing open access. Statistics have been returned to the database and are now visible to users to show item usage and where this usage is coming from.

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    Introducing 4s–2p orbital hybridization to stabilize spinel oxide cathodes for lithium‐ion batteries
    (Wiley, 2022-06-27) Liang, GM; Olsson, E; Zou, JS; Wu, ZB; Li, JX; Lu, CZ; D'Angelo, AM; Johannessen, B; Thomsen, L; Cowie, B; Peterson, VK; Cai, Q; Pang, WK; Guo, ZP
    Oxides composed of an oxygen framework and interstitial cations are promising cathode materials for lithium‐ion batteries. However, the instability of the oxygen framework under harsh operating conditions results in fast battery capacity decay, due to the weak orbital interactions between cations and oxygen (mainly 3d–2p interaction). Here, a robust and endurable oxygen framework is created by introducing strong 4s–2p orbital hybridization into the structure using LiNi0.5Mn1.5O4 oxide as an example. The modified oxide delivers extraordinarily stable battery performance, achieving 71.4 % capacity retention after 2000 cycles at 1 C. This work shows that an orbital‐level understanding can be leveraged to engineer high structural stability of the anion oxygen framework of oxides. Moreover, the similarity of the oxygen lattice between oxide electrodes makes this approach extendable to other electrodes, with orbital‐focused engineering a new avenue for the fundamental modification of battery materials. © 2022 The Authors. Angewandte Chemie published by Wiley-VCH GmbH. Open Access CC BY-NC-ND 4.0.
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    Evolution of the magnetic structure of TbRu2Al10 in applied field
    (Elsevier, 2016-09-15) White, R; Hutchison, WD; Mizushima, T; Studer, AJ
    TbRu2Al10 is found to undergo two magnetic phase transitions as a function of temperature and three as a function of applied field at low temperature. The Tb3+ magnetic moments order antiferromagnetically along the c-axis at 15.0(3) K, with an incommensurate sinusoidally modulated structure with a propagation vector of k = (0, 0.759(1), 0). At 6.5(3) K the structure switches to square wave order. Analysis of single crystal TbRu2Al10 has revealed that this square wave structure is altered to a 'pulse wave' on application of a 1.30 T magnetic field along the c-axis, with two in fifty of the magnetic moments across the structure changing direction to be aligned parallel with the direction of the field. At 1.85 T a further three moments flip, leading to a duty cycle of 60% and resulting in a total change of one in ten moments from the starting square wave structure. © 2016 Elsevier B.V. All rights reserved.
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    Crystal structure of a UDP-GlcNAc epimerase for surface polysaccharide biosynthesis in Acinetobacter baumannii
    (Public Library of Science (PLoS), 2018-01-19) Shah, BS; Ashwood, HE; Harrop, SJ; Farrugia, DN; Paulsen, IT; Mabbutt, BC
    With new strains of Acinetobacter baumannii undergoing genomic analysis, it has been possible to define regions of genomic plasticity (RGPs), encoding specific adaptive elements. For a selected RGP from a community-derived isolate of A. baumannii, we outline sequences compatible with biosynthetic machinery of surface polysaccharides, specifically enzymes utilized in the dehydration and conversion of UDP-N-acetyl-D-glucosamine (UDP-D-GlcNAc). We have determined the crystal structure of one of these, the epimerase Ab-WbjB. This dehydratase belongs to the ‘extended’ short-chain dehydrogenase/reductase (SDR) family, related in fold to previously characterised enzymes CapE and FlaA1. Our 2.65Å resolution structure of Ab-WbjB shows a hexamer, organised into a trimer of chain pairs, with coenzyme NADP+ occupying each chain. Specific active-site interactions between each coenzyme and a lysine quaternary group of a neighbouring chain interconnect adjacent dimers, so stabilising the hexameric form. We show UDP-GlcNAc to be a specific substrate for Ab-WbjB, with binding evident by ITC (Ka = 0.23 μmol-1). The sequence of Ab-WbjB shows variation from the consensus active-site motifs of many SDR enzymes, demonstrating a likely catalytic role for a specific threonine sidechain (as an alternative to tyrosine) in the canonical active site chemistry of these epimerases. © 2018 Shah et al. This is an open access article distributed under the terms of the Creative Commons Attribution License (CC BY 4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
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    Structural evolution of trimethylacetonitrile under pressure: a combined X‑ray diffraction and computational study
    (American Chemical Society (ACS), 2024-08-23) Blake, RM; Stapleton, ND; Jones, IM; Brookes, JR; Turner, GF; Bird, SA; Riboldi-Tunnicliffe, A; Williamson, RM; Young, R; Maynard-Casely, HE; Spagnoli, D; Moggach, SA
    Three high-pressure phases of trimethylacetonitrile, a compound of potential interest in the context of Titan’s atmospheric chemistry, have been investigated using single-crystal X-ray diffraction, periodic density functional theory, and CrystalExplorer intermolecular energy calculations. A disordered tetragonal P4/nmm phase is formed between 0.07 and 0.29 GPa (denoted hp-I). Compression to 0.43 GPa forms an ordered orthorhombic Pnma phase (hp-II), which transforms to a monoclinic P21/m phase (hp-III) at 1.52 GPa. The hp-III phase persists to at least 3.34 GPa. Phase transitions are driven by densification of the crystal and facilitated by rearrangement of the supramolecular hydrogen-bonding network, with 180° reorientation of half the molecules. Compression of each phase is associated with slight shortening of the intermolecular hydrogen bonds, with gradual destabilization of the cohesive energy to 3.34 GPa. © 2024 American Chemical Society.
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    A late Pleistocene‐Holocene record of tropical monsoon climate from groundwater noble gases and isotopes in the Leizhou Peninsula, Southern China
    (American Geophysical Union (AGU), 2025-12-28) Li, SH; Chen, JY; Aeschbach, W; Cendón, DI; Freundt, F; Wei, W; Tian, D; Wu, Q; Li, R; Gong, RY; Xie, ZL; Zeng, G; Yang, ZZ; Liang, ZB
    Abstract Groundwater from the Leizhou Peninsula in tropical South China provides one of the first noble‐gas based paleoclimate reconstructions from the East Asian monsoon region. Radiocarbon dating establishes a robust chronology spanning the Late Pleistocene to the Holocene. Noble gas temperatures reveal a minimum glacial‐to‐Holocene warming of ∼5°C–6°C, consistent with global low‐latitude groundwater records. Stable isotopes (δ 18 O) covary with excess air, indicating that they primarily reflect monsoon‐driven precipitation changes rather than temperature. These records point to suppressed recharge during the Last Glacial Maximum, a short‐lived weakening of the summer monsoon during the Younger Dryas, and intensified precipitation in the early Holocene. By jointly resolving temperature and precipitation signals, fossil groundwater offers a dual constraint on tropical paleoclimate that complements existing continental records and provides benchmarks for testing climate model sensitivity in East Asia. Plain Language Summary Reconstructing past climate in tropical East Asia is essential for understanding glacial‐interglacial transitions in low‐latitude regions. Here we use ancient groundwater from the Leizhou Peninsula in South China as a natural archive. When rainwater infiltrates the ground, it traps noble gases and isotopes that preserve the temperature and rainfall conditions at the time of recharge. Our results indicate that temperatures at the time of groundwater recharge during the last ice age were at least ∼5°C–6°C colder than today. The isotope record further reveals suppressed recharge during the peak of the Last Glacial Maximum, a short‐lived weakening of the summer monsoon during the Younger Dryas, and intensified precipitation in the early Holocene. Together, these findings demonstrate that ancient groundwater provides a powerful and underutilized archive of tropical paleoclimate change. Key Points Noble gas temperatures from Leizhou groundwater indicate a minimum ∼5°C–6°C glacial‐to‐Holocene warming in tropical East Asia Covariation of δ 18 O with excess air shows that isotopes primarily record monsoon precipitation and recharge dynamics, not temperature The groundwater record documents Last Glacial Maximum aridity, a short Younger Dryas weakening, and an early Holocene monsoon maximum, consistent with the regional lake and speleothem archives. © 2026 American Geophysical Union. Open Access CC BY-NC 4.0.