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- Quantifying small-molecule association with lipid membranes: Methods, models, and limitationsPublication . Moreno, Maria João; Cordeiro, Margarida M.; Filipe, Hugo A. L.; Oliveira, Alexandre C.; Pires, Cristiana L.; Ramos, Cristiana V.; Samelo, Jaime; Martins, Jorge; Loura, Luís M. S.The association of small molecules with lipid membranes plays a central role in drug delivery, pharmacokinetics, toxicity, and membrane biophysics, also being of fundamental importance in drug pharmacodynamics given that most drug targets are membrane-associated proteins. Accurate determination of solute–membrane association affinities, however, remains challenging due to the diversity of experimental systems, the complexity of membrane environments, and the intrinsic limitations of individual methodologies. This review provides a comprehensive overview of the experimental and computational approaches currently used to quantify small molecule association with lipid membranes. Standard experimental techniques, including spectroscopy-based methods, calorimetry, electrophoretic measurements, and surface-sensitive approaches, are discussed alongside established computational strategies ranging from continuum models to atomistic molecular dynamics simulations. Particular emphasis is placed on the formalisms required for data analysis, including partitioning models and thermodynamic frameworks, as well as on the assumptions underlying each method. The validity limits, sources of uncertainty, and common experimental and interpretative pitfalls are critically examined. By providing a unified and comparative perspective, this work establishes a structured framework for the quantitative study of solute–membrane interactions, guiding new researchers in the selection of appropriate methodologies and in the rigorous analysis of experimental and computational results. Moreover, it enables the consistent and quantitative rationalization of affinity parameters reported across the literature, supporting the development of curated datasets and predictive relationships that can inform the design of new and more effective drugs.
- Impacts of ocean acidification on reproduction and early life development in marine teleost fish—a synthesisPublication . Bridge, Rebecca J.; McClelland, Benjamin T.; Birchenough, Silvana; Stiasny, Martina H.Ocean acidification (OA) remains a major and underexplored threat to marine fishes, particularly regarding reproductive physiology and early life stages (ELS). Although research over the past 15years has documented diverse OA effects, substantial knowledge gaps persist. Most studies focussed on a limited set of species from North America and Europe, leaving broad uncertainty across phylogenetic groups, geographic regions and multi-stressor conditions. In adult fish, especially females, elevated pCO2 can shift energy allocation to prioritise reproductive output at the expense of egg or clutch size. While adult and juvenile fish have well-developed acid–base balancing systems, embryos and larvae possess only rudimentary mechanisms, making them more vulnerable to OA. This article stresses the importance of understanding these physiological and mechanistic responses to predict the future of fish stocks and ecosystem health as OA intensifies due to ongoing CO2 emissions. Our results highlight that OA responses in fish are highly variable and often specific to life stage and species, with acute and sometimes stage-specific effects not fully documented. Lastly, our recommendations on targeted research and funding are necessary to address the remaining knowledge gaps, including broadening taxonomic and geographic sampling, exploring multi-stressor scenarios and improving understanding of the downstream effects of OA on fish reproduction and development. Maintaining robust fish populations is vital for food security, employment and ecosystem functioning, making continued investigation into OA's impacts a scientific and societal priority.