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Australian Journal of Chemistry

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 14 January 2025

CH24150Exploring clomiphene inclusion in β-cyclodextrin: a computational approach

Hélio F. Dos Santos 0000-0003-0196-2642, 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 (KexptEZ=46.94×M−1) showed good agreement with the experimental data (KexptEZ=50.21×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.)

CH24150 Abstract  | PDF (4.1 MB) - $35.00   | CH24150Supplementary Material (2.5 MB)
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 0009-0003-7204-7414
 

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 0000-0002-4457-196X
 

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.)

CH24116 Abstract  | PDF (3.9 MB) - $35.00 
Published online 22 November 2024

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

Sanjeev Rachuru 0000-0002-6117-7112, Jagannadham Vandanapu 0000-0001-9152-7729 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.)

CH24110 Abstract  | PDF (1.1 MB) - $35.00   | CH24110Supplementary Material (389.4 MB)
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 0000-0003-4005-740X 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.)

CH24109 Abstract  | PDF (2.9 MB) - $35.00   | CH24109Supplementary Material (467 KB)
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 0000-0002-2961-1476
 

Schematic of iodine molecule adsorption

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.)

CH24068 Abstract  | PDF (3.1 MB) - $35.00 
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 0000-0001-6077-2609
 

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 0000-0002-2153-1391
 

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 0000-0002-5398-0597
 

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

Published online 18 September 2024

CH24065Temperature dependent self-assembly of lanthanide coordination polymers based on a benzimidazolium dicarboxylate linker: synthesis, structure and luminescence properties

Li-Xin You 0000-0003-1017-3901, Wen-Yu Wang, Xiao-Juan Wang, Gang Xiong, Shu-Ju Wang, Fu Ding, Jin-Guang Liang and Ya-Guang Sun
 

Flow chart showing 2-D structures of complex chains formed from ligand with La, Pr, Sm and Eu and dimer layers with Tb.

Five two-dimensional complexes were obtained and the structures of 1–4 differ from that of 5 owing to the distinct coordination modes of the ligand H2L+Cl− at specific reaction temperatures. Further, the luminescence properties of complexes 3–5 were investigated. Additionally, the fluorescence lifetime of complex 4 was tested. (Image credit: Li-Xin You.)

CH24065 Abstract  | PDF (1.6 MB) - $35.00   | CH24065Supplementary Material (2.8 MB)
Published online 18 September 2024

CH24053Bayesian approaches to assigning the source of an odour detected by an electronic nose

D. Brynn Hibbert 0000-0001-9210-2941
 

Image of an electronic nose and graph of response from diabetes patients’ breath showing response pulse with each breath.

The 18th century cleric Thomas Bayes gave his name to an elegant statement of the probability of an event – in this case identification of an odour – given some evidence: output from a number of metal oxide semiconductor sensors. Knowing the distributions of outputs for target odours, we assign the probabilities of an unknown odour. The greatest probability wins! (Image credit: E-nose Pty Ltd and D. B. Hibbert.)

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

CH24053 Abstract  |  CH24053 Full Text  | CH24053PDF (1.5 MB)  | CH24053Supplementary Material (575 KB)   Open Access Article

Published online 13 September 2024

CH24080Expanding on the plecstatin anticancer agent class: exchange of the chlorido ligand for N-heterocyclic ligands

Saawan Kumar, Mie Riisom, Stephen M. F. Jamieson, Tilo Söhnel, Suresh Bhargava, Jing Sun and Christian G. Hartinger 0000-0001-9806-0893
 

Schematic showing dimerisation occurs upon replacing the chlorido ligand in plecstatin-1 or a N-heterocycle in analogous complexes.

Replacing the chlorido ligand in [Ru(η6-p-cymene)(p-fluoropyridinecarbothioamide)Cl]PF6 with the N-heterocycles 1-methylimidazole, 1-methylbenzimidazole and pyridine gave complexes with similar antiproliferative activities in human cancer cells at low micromolar concentrations. This can be explained by dimerisation in aqueous solution and formation of the same di-Ru complexes after cleaving of the chlorido or N-heterocycle ligands. (Image credit: Saawan Kumar.)

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

CH24080 Abstract  |  CH24080 Full Text  | CH24080PDF (1.2 MB)  | CH24080Supplementary Material (1.2 MB)   Open Access Article

Published online 12 September 2024

CH24085The quantification of radical concentration in organic radical polymers: techniques and challenges

Theo A. Ellingsen 0000-0002-1839-5392, Stuart C. Thickett 0000-0002-8168-3856 and Rebecca O. Fuller 0000-0003-3926-8680
 

Graphic of a pendant radical polymer chain superimposed on an electron paramagnetic resonance trace.

Organic radical polymers are being developed for applications such as energy storage, catalysis and spintronics. Quantification of radical content can be nuanced, with a variety of techniques available for characterisation. This primer provides an overview and discusses the challenges of implementation to macromolecules containing pendant radicals. (Image credit: Theo A. Ellingsen.)

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

CH24085 Abstract  |  CH24085 Full Text  | CH24085PDF (1.7 MB)  | CH24085Supplementary Material (869 KB)   Open Access Article

Published online 27 August 2024

CH24094Synthesis and stability studies of constrained peptide–antimony bicycles

Sven Ullrich 0000-0003-4184-7024, Pritha Ghosh, Minghao Shang, Sauhta Siryer, Santhanalaxmi Kumaresan, Bishvanwesha Panda, Lani J. Davies, Upamali Somathilake, Abhishek P. Patel and Christoph Nitsche 0000-0002-3704-2699
 

Schematic of the formation of SbIII-centred bicyclic peptides.

Cyclic peptide drugs are important therapeutics. Previously, bismuth and arsenic were introduced to create peptide bicycles by binding three cysteines. Now, antimony complements this set of elements to form stable bicyclic peptides. These remain stable in the presence of a common metal chelator and glutathione. Bismuth outcompetes antimony as the core atom in peptide bicycles. (Image credit: Lani Davies.)

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

CH24094 Abstract  |  CH24094 Full Text  | CH24094PDF (986 KB)  | CH24094Supplementary Material (349 KB)   Open Access Article

Just Accepted

These articles have been peer reviewed and accepted for publication. They are still in production and have not been edited, so may differ from the final published form.

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Collections

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

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

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: 29 Aug 2023

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

Committee on Publication Ethics

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