Australian Journal of Chemistry

Australian Journal of Chemistry - an International Journal for Chemical Science publishes research papers from all fields of chemical science, with a focus on multidisciplinary chemistry and emerging areas of research. Read more about the journalMore

Editors-in-Chief: George Koutsantonis and John Wade

Publishing Model: Hybrid. Open Access options available.

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Latest

These articles are the latest published in the journal. Australian Journal of Chemistry is published under a continuous publication model. More information is available on our Continuous Publication page.

Published online 17 March 2025

CH24130Three decades of quantum science: how quantum chemistry transformed thermochemical database generation for benchmarking DFT and machine learning

Amir Karton

Image of showing three methods, Computational Chemistry, Chemical Databases and Machine Learning, that have revolutionised chemical databases for DFT benchmarking and ML applications

This review underscores the pivotal role of high-level composite wavefunction methods in revolutionising the construction of highly accurate thermochemical databases. These breakthroughs are critical for generating large-scale thermochemical datasets, which are crucial for advancing density functional theory (DFT) methods and improving machine-learning models to enable more reliable chemical predictions. (Image credit: A. Karton.)

CH24130 Abstract | CH24130 Full Text | CH24130PDF (1.3 MB) Open Access Article

Published online 14 March 2025

CH24146Synthesis of novel mono BN substituted symmetrical and asymmetrical perylene diimides for fluoride anion detection

Luna Yang, Yifan Wang, Chenhao Wang, Feng Liu

, Weiping Chen, Yonggang Wu and Hongchi Zhao

Schematics of three novel mono BN substituted perylene diimide (PDI) derivatives and images of HeLa cells treated with PDI-BN1.

Three novel mono BN substituted derivatives (PDI-BN1, PDI-BN2 and PDI-BN3) of symmetrical and asymmetrical perylene diimides were designed and efficiently synthesised using a concise synthetic strategy. These derivatives exhibited orange fluorescence, with their properties finely adjustable by integrating various fused aryl rings. Except for F⁻ ions, these derivatives have shown no affinity for other anions. (Image credit: Feng Liu.)

Published online 04 February 2025

CH24086AuNPs synthesised in situ from self-assembled peptide hydrogels modulating peptide secondary structure

Bin Huang, Lingyi Li, Fuzhen Yan, Fangjie Liu

, Jin Zhang, Linlin Zhong and Wenlong Xu

Schematic diagram of hydrogel preparation and mechanism.

An amphiphilic peptide Fmoc-FFCKK-OH was designed to induce peptide self-assembly to form hydrogels by Au³⁺ ligand interaction. This study contributes to further understanding the role of AuNPs binding specifically to peptides in the formation of β-sheet-like aggregates and provides a research basis for AuNPs as amyloid aggregation regulator. (Image credit: Fangjie Liu.)

Published online 31 January 2025

CH24156A new method for the preparation of Fe^IV and comparison with the performance of FeO₄²⁻

Haoda Guo, Linhao Fan and Naidong Zhang

A diagram and the chemical formula of the pathway of NaClO to Na2FeO3.

Na₂FeO₃ serves as a highly effective water-purifying agent, demonstrating superior performance when compared to ferrate(VI). This study focuses on the eco-friendly synthesis of Na₂FeO₃ crystals utilising sodium hypochlorite as the medium through a concentration method under depressurisation. The cost of synthesis is obviously lower than the traditional method. (Image credit: Haoda Guo.)

Published online 31 January 2025

CH24162Properties and antifouling performance of fabricated polymers containing copper thiocyanate

Krishnamurthy Prasad, Richard F. Piola, Jitraporn Vongsvivut, Hareem Khan, Paul J. Molino, Dominic J. Hare

, Nisa V. Salim and Nishar Hameed

Progressive fouling of cast epoxy and 3-D-printed urethane test samples in a marine environment over a 3-month trial.

Functionalised polymers with antimicrobial properties have many applications as fouling-resistant materials in the maritime sector. Two polymer-based fabrication systems – one using a cast epoxy resin and the other employing stereolithography to produce polyurethane-based designs – were both used to produce structures incorporating dispersed copper thiocyanate for testing and evaluation as fouling-resistant materials. (Image credit: Richard Piola and Dominic Hare.)

CH24162 Abstract | CH24162 Full Text | CH24162PDF (3.7 MB) Open Access Article

Published online 14 January 2025

CH24150Exploring clomiphene inclusion in β-cyclodextrin: a computational approach

Hélio F. Dos Santos

, Eloah P. Ávila and Cleber P. A. Anconi

Stable inclusion complexes of clomiphene in β-cyclodextrin with corresponding multi-equilibrium association constants.

The inclusion process of clomiphene into β-cyclodextrin was investigated using various molecular modelling techniques, including static quantum computational (QC) methods, molecular dynamics (MD) and sequential QC/MD approaches. The calculated association constant $(K_{expt}^{EZ} = 46.94 \times M^{- 1})$ showed good agreement with the experimental data $(K_{expt}^{EZ} = 50.21 \times M^{- 1})$ , reflecting contributions from both multi-equilibrium processes and the fixed composition of the isomeric mixture. These results enhance understanding of the inclusion process and propose new methodological approaches for future research. (Image credit: Hélio F. Dos Santos.)

Published online 10 January 2025

CH24137Disclosure of the hydrogen evolution mechanism on [FeFe]-hydrogenases-inspired molecular catalysts – a DFT study

Siyao Qiu, Aimin Yu and Chenghua Sun

Experimental overpotential data for catalysts compared with the calculated largest energy difference of the reaction.

Theoretical calculations on the hydrogen evolution process by [FeFe]-hydrogenases-inspired molecular catalysts were linked with experimental catalytic performance to reveal their possible reaction mechanism. The theoretical data exhibited a good match with the experimental overpotential data, with a R² of 0.592. (Image credit: Siyao Qiu.)

CH24137 Abstract | CH24137 Full Text | CH24137PDF (1.9 MB) | CH24137Supplementary Material (894 KB) Open Access Article

Published online 06 December 2024

CH24116Diversified applications and synthesis of hydroxamic acids

Yao Li, Junzhou Li, Chaoying Cai, Li Yang, Yiqiao Hao, Guoliang Chen and Xuefei Bao

Chart depicting hydroxamic acids structure, synthesis materials and methods, and uses with chemical structure examples

This review summarises the applications of hydroxamic acids in medicinal chemistry, mineral flotation, metal–organic frameworks (MOFs), remediation of metal contamination and more, and introduces related synthesis strategies including microwave, continuous flow reactor, solid-phase and enzymatic syntheses as supplements to classical synthetic methods. (Image credit: Li Yao.)

Published online 22 November 2024

CH24110Simultaneous conformity and non-conformity to Hammett’s linear free energy relationship (LFER): a rarity

Sanjeev Rachuru

, Jagannadham Vandanapu

and Adam A Skelton

p-Substituted phenyl pentazole structure showing C–N bond distance does not conform but HOMA and BLA of azole ring conforms to Hammet LFER.

There are innumerable instances of series conforming to linear free energy relationships (LFERs) in the literature and appreciable numbers of examples of non-conformity. It is extremely rare or maybe we are the first to report conformity and non-conformity of Hammett’s relationship (LFER) in the same system, the para-substituted phenyl pentazoles. This rarity and a plausible rationale are discussed. This research article requires a good understanding of Hammett’s relationship (LFER), harmonic oscillator model aromaticity (HOMA index) and bond length alternation (BLA). (Image credit: Sanjeev Rachuru.)

Published online 22 October 2024

CH24109(Benzene-1,2,4,5-tetrayl)tetrakis(3-(1-carboxylatomethylpyridinium)), a novel uranyl-complexing tetrazwitterion

Young Hoon Lee, Sotaro Kusumoto, Youssef Atoini, Shinya Hayami, Yang Kim, Jack Harrowfield

and Pierre Thuéry

Partial view of the diperiodic, tetracarboxylate ligand coordination polymer with uranium coordination polyhedra in yellow.

Although the uses of uranium in the nuclear industry are well known, the element has a remarkably varied chemistry, exploited, for example, in photooxidation catalysis for the destruction of environmental pollutants. To this end, it is desirable to have compounds in the highest oxidation state of uranium, +VI, 'uranyl' complexes, that are luminescent and insoluble but porous, ideally containing cavities that generate selectivity with regard to absorbed species. Coordination polymers continue to be developed as materials that may provide such properties. (Image credit: Pierre Thuéry.)

Published online 11 October 2024

CH24068Synthesis and characterization of non-porous amorphous polymers for enhanced iodine adsorption

Mengqi Wang, Henglong Tang, Zhu Long and Chang Sun

Non-porous amorphous polymers demonstrate exceptional iodine adsorption capacities of 4.43 g g^–1 for volatile iodine and 1.43 g g^–1 for liquid iodine. Insights into the adsorption mechanism were gained through FT-IR analysis and independent gradient model based on Hirshfeld partition (IGMH), elucidating the adsorption sites and weak interactions with iodine. (Image credit: Chang Sun.)

Published online 08 October 2024

CH24128An introduction to the 10th Anniversary collection of RACI and AAS Award papers

Curt Wentrup

CH24128 Full Text | CH24128PDF (746 KB)

Published online 08 October 2024

CH23211New opportunities for molecular photoswitches as wearable ultraviolet radiation dosimeters

Lauren E. Blackwell, Sandra Wiedbrauk and Nathan R. B. Boase

Schematic showing key elements of colourimetric UV dosimeters: user-focused design and molecular photoswitch development.

Rewearable colourimetric dosimeters offer an efficient, low cost and reusable solution to educate people on their risk from ultraviolet radiation (UVR) from the sun. Molecular photoswitches are a simple chemical technology for creating UVR dosimeters. Key to their translation are enhanced photochemical stability, reusability and overall stability. Beyond the chemistry, it is necessary to design these devices for the needs of all users in our community, to offer equitable protection. (Image credit: Nathan Boase.)

CH23211 Abstract | CH23211 Full Text | CH23211PDF (3.9 MB) Open Access Article

Published online 30 September 2024

CH24082Ru/MgO-catalysed selective aerobic oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid

Priya Lokhande, Paresh L. Dhepe, Karen Wilson and Adam F. Lee

Competing synthetic pathways for formation of 2,5-furandicarboxylic acid from 5-hydroxymethylfurfural with a Ru/MgO catalyst.

Biomass offers a sustainable alternative source of carbon to existing fossil resources that underpin the global chemical industry – on which we rely for fuels, plastics and pharmaceuticals. Combining ruthenium metal with Earth-abundant magnesium oxide creates an efficient catalyst for transforming sugar components of waste biomass into a valuable precursor for the sustainable manufacture of plastics. (Image credit: Priya Lokhande.)

This article belongs to the 10th Anniversary Collection of RACI and AAS Award papers.

CH24082 Abstract | CH24082 Full Text | CH24082PDF (3.3 MB) | CH24082Supplementary Material (768 KB) Open Access Article

Published online 23 September 2024

CH24096Self-assembled monolayers: a journey from fundamental tools for understanding interfaces to commercial sensing technologies

Essam M. Dief, Richard D. Tilley and J. Justin Gooding

Schematics showing interactions of self-assembled monolayers on substrates with substances from water to antibodies

Self-assembled monolayers (SAMs) allow surfaces to be modified with molecular-level control to give surface-specific functionality. SAMs have provided fundamental insight into surface phenomena and found utility in a range of applications. This account outlines a variety of different SAM systems and their application in sensing. (Image credit: Essam M. Dief.)

This article belongs to the 10th Anniversary Collection of RACI and AAS Award papers.

CH24096 Abstract | CH24096 Full Text | CH24096PDF (5.9 MB) Open Access Article

More content

Collections

Collections are a curation of articles relevant to a topical research area

Beckwith Review Series

Beckwith Reviews honour the memory of Professor Athelstan (Athel) L. J. Beckwith, a remarkable man and an outstanding chemist. These invited reviews advance knowledge in current key areas of research in chemistry.

Last Updated: 17 Mar 2025

10th Anniversary Collection of RACI and AAS Award papers

This collection presents papers submitted by 2023–24 Australian Academy of Science and Royal Australian Chemical Institute Award winners.

All papers in this collection are Open Access and the foreword by the Guest Editor, Curt Wentrup of the School of Chemistry and Molecular Biosciences at The University of Queensland, is free to read.

Last Updated: 10 Oct 2024

Primer Review Series

Primer Reviews are concise, authoritative overviews of important contemporary topics in the chemical sciences. They should appeal to advanced undergraduates, the general research chemist who is new to the field, as well as the expert. They provide a solid introduction to the development of a subject, the latest breakthrough results and their implications for the wider scientific community.

Last Updated: 12 Sep 2024

Cornforth Review Series

Cornforth Reviews honour the memory of Sir John Warcup Cornforth (usually known as Kappa to friends and colleagues). These invited reviews advance knowledge in current key areas of research in chemistry.

Last Updated: 22 Aug 2024

The Medicinal Chemistry Collection

Australian Journal of Chemistry is approaching its eighth decade of publishing key work across many spheres of chemistry, both national and international. As the current co-editors-in-chief, we are delighted to introduce this collection that highlights a selection of the finest recent articles in medicinal chemistry. We are proud to also highlight the significant contributions to medicinal chemistry research made by several outstanding women researchers.

Collection Editors
John Wade and George Koutsantonis

Last Updated: 01 Oct 2020

70 Years of Australian Journal of Chemistry: A Retrospective

This collection reflects the breadth and quality of science published in the Australian Journal of Chemistry by Australian scientists over the last seven decades. Papers were selected based on hard data (citations and downloads), but we also chose papers that reflect other criteria, such as landmarks in important aspects of chemical science; recognition of an influential individual; gender diversity; and simply to reflect the breadth of the journal’s output.

Last Updated: 07 Feb 2019

Nobel Laureates

Australian Journal of Chemistry is proud to have published the works of a number of Nobel prize winners of chemistry. This collection brings together the articles authored by these Nobel prize winners.

Last Updated: 01 Nov 2012

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