This Research Front of the Australian Journal of Chemistry is aligned with the BIOPHYSCHEM2011 meeting, a joint conference of the Australian Society for Biophysics and the Physical Chemistry Division of the RACI, which was held at the University of Wollongong from 3 to 6 December 2011. Research across the physical chemistry and biophysics disciplines is strong and lively in Australia and the multidisciplinary nature of these studies is a feature, with links connecting basic biological science and applications to physical chemistry processes to nanotechnological applications, and vice versa.

Time-of-flight photoconductivity measurements revealed significant reduction in bimolecular recombination compared to diffusion-controlled Langevin recombination in bulk heterojunction solar cells based on P3HT:PCBM and a new silole-based copolymer KP115:PCBM. This highly desirable property enables coating of relatively thick active layers without significant drop in solar cell performance. The origin of reduced recombination is presently unclear and previous models are inadequate to fully describe it.

A combined computational and experimental study demonstrated that the protonation states of key acidic residues in the binding sites have both structural and energetic impacts on the function of the Na/K pump at the E2•Pi state.

Photoelectron spectroscopy and ab initio calculations are used to interrogate the bromide–carbon monoxide gas phase complex, Br^-···CO. A new minimum was found for the neutral complex, namely a linear Br···OC form. The electron affinity of the Br···CO complex is 3.50 ± 0.05 eV.

MEH-PPV forms a variety of mesoscale structures depending on chain length, solvent quality, and chemical defect concentration.

There is growing evidence that interactions between the amyloid-beta peptide Aβ(1-42) and neuronal cell membranes and copper are involved in Alzheimer’s disease (AD) pathogenesis. Our data support the finding that ternary interactions between Cu²⁺, lipids, and Aβ(1-42) may have significance in AD, and illustrate the importance of using appropriate lipid membrane composition.

Photochemical upconversion is applied to solar cells in the presence of a backscatter to double the efficacy of the device.

Hematoxylin undergoes oxidation via an ErErCiEr mechanism in which ring B is oxidized first.

The addition of Cu(ii) to a solution of curcumin in acetonitrile enables the initial complexation of Cu(ii); a subsequent internal reduction of Cu(ii) to Cu(i) oxidises curcumin to a curcumin radical, leading to decomposition of curcumin.

Fluorescent nanodiamonds are attractive for biological applications because of their biocompatibility and stable photoluminescence. Chemical and air oxidation treatments were used to produce small (~15 nm) nanodiamonds containing a single fluorescent centre. These were both physically and optically characterised and then used as a donor for single-molecule Förster resonance energy transfer.

Ion mobility-mass spectrometry (IM-MS) provides a biophysical approach well suited for structural analysis of proteins and their complexes with conformational heterogeneity. Here we have utilised negative mode IM-MS to investigate structural transitions of calmodulin upon Ca²⁺ and target peptide binding. Of particular importance is the ability to detect conformations of calmodulin-peptide complexes without a full complement of calcium.

Rational design criteria for molecules useful as frequency-based quantum registers are developed. These criteria are designed to minimize inter-qubit couplings and so make quantum gates much easier to implement, allowing molecular design to provide pathways for the construction of large registers.

We use an information-theoretic, extrathermodynamic approach to analyse the changes in the electronic structure between analogous methine and azomethine dyes.

Three new Ln-MOFs, [Tb(HPIA)(PIA)(H₂O)₂]_n·0.5nH₂O (1), [Eu(HPIA)(PIA)(H₂O)₂]_n·0.5nH₂O (2), and [Tb₂(PIA)₃(H₂O)₄]_n·3nH₂O (3) (H₂PIA = 5-(pyridin-4-yl)isophthalic acid), have been obtained by DMF/H₂O volume-ratio-controlled assembly and structurally characterised. The thermal and photoluminescence properties of complexes 1-3 in the solid state have also been investigated.

The isolation and structure elucidation of seven new oxygenated terpenoids and eight known terpene metabolites from marine invertebrates collected at the Inner Gneerings Reef, South East Queensland, is discussed. Investigation of the sponge Coscinoderma matthewsi yielded an epoxylactone derivative (1) of the known furanoterpene tetradehydrofurospongin-1 (2). A chemical investigation of the dissected nudibranch Chromodoris albopunctata provided the new oxygenated diterpenes 12α-acetoxyspongian-16-one (10), 20-acetoxyspongian-16-one (12), 20-oxyspongian-16-one propionate (13) and 12α,20-dioxyspongian-16-one dipropionate (14), while two new chromodorolides D (17) and E (18) were isolated from a Dysidea sp.

A straightforward, practical and cost-effective method for the synthesis of Fmoc/Boc-protected peptide nucleic acid (PNA) monomers from N-(2-(Fmoc)aminoethyl)glycinate ethyl ester is described. The Fmoc/Boc strategy was developed in order to eliminate the solubility issues, in particular that of the cytosine monomer, that often occur during the solid-phase synthesis of PNA.

A novel biodegradable amphiphilic dendritic polyether-ester whose building blocks (glycerol, glycolic acid oligomer and methoxy poly(ethylene glycol)) are known to be biodegradable or biocompatible is described. This biodendritic macromolecule is of interest for fundamental physiochemical studies and as a new tailored material for applications in drug delivery and tissue engineering.

Three naphthaledene Schiff bases were analysed by variable temperature X-ray crystallography and solid state electronic spectra. The crystal structures showed no significant changes despite the compounds changing colour with temperature. The major contribution to the colour change is the broadening of the absorption band and not the change in enol-keto composition.