{"title":"Kinetic Monte Carlo methods for three-dimensional diffusive capture problems in exterior domains.","authors":"Andrew J Bernoff, Alan E Lindsay","doi":"10.1098/rsos.241033","DOIUrl":"10.1098/rsos.241033","url":null,"abstract":"<p><p>Cellular scale decision-making is modulated by the dynamics of signalling molecules and their diffusive trajectories from a source to small absorbing sites on the cellular surface. Diffusive capture problems which model this process are computationally challenging due to their complex geometry and mixed boundary conditions together with intrinsically long transients that occur before a particle is captured. This paper reports on a particle-based kinetic Monte Carlo (KMC) method that provides rapid accurate simulation of arrival statistics for (i) a half-space bounded by a surface with a finite collection of absorbing traps and (ii) the domain exterior to a convex cell, again with absorbing traps. We validate our method by replicating classical results and verifying some newly developed boundary homogenization theories and matched asymptotic expansions on capture rates. In the case of non-spherical domains, we describe a new shielding effect in which geometry can play a role in sharpening cellular estimates on the directionality of diffusive sources.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241033"},"PeriodicalIF":2.9,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11813576/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143410153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Does biofluorescence enhance visual signals in birds-of-paradise?","authors":"Rene P Martin, Emily M Carr, John S Sparks","doi":"10.1098/rsos.241905","DOIUrl":"10.1098/rsos.241905","url":null,"abstract":"<p><p>Visual signals are important for mediating numerous behaviours in organisms. Frequently, brightly coloured feathers are used in signalling during reproductive behaviours in birds. Furthermore, an increasing number of studies have documented the additional use of biofluorescence as a visual cue. We investigate the presence of fluorescence in all 45 species of birds-of-paradise (Paradisaeidae), a group where males exhibit elaborate feather morphology, coloration, and mating displays. We show that all core birds-of-paradise are biofluorescent (37 species representing 14 of 17 genera); all genera except <i>Lycocorax</i>, <i>Manucodia</i> and <i>Phonygammus</i>, which comprise the sister group to the core birds-of-paradise. In males, biofluorescence occurs on plumage and skin used in reproductive displays. Biofluorescent regions vary among species but include the inner mouth and bill, as well as feathers on the head, neck, belly and plumes. In females, biofluorescence is usually restricted to plumage on the chest and belly. Emitted biofluorescent wavelengths are green and green-yellow, with emission peaks around 520 and 560 nm. Using an established framework of criteria for determining the functional role of biofluorescence in communication, our results provide evidence that within core birds-of-paradise, males likely utilize biofluorescence to enhance visual cues used during male hierarchy and mating displays.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241905"},"PeriodicalIF":2.9,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11813591/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143410147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Eleanor M Marwood, Franca Eichenberger, Nozomi Kobayashi, Haruna Okabe, Sachie Ozawa, Luke Rendell, Ellen C Garland
{"title":"Humpback whale song complexity and evolution on a northwestern Pacific breeding ground: Okinawa, Japan.","authors":"Eleanor M Marwood, Franca Eichenberger, Nozomi Kobayashi, Haruna Okabe, Sachie Ozawa, Luke Rendell, Ellen C Garland","doi":"10.1098/rsos.241388","DOIUrl":"10.1098/rsos.241388","url":null,"abstract":"<p><p>Male humpback whales (<i>Megaptera novaeangliae</i>) sing a slowly evolving, sexually selected song display socially learned from conspecifics. Within an ocean basin, song similarity between breeding populations can reveal the degree of connectivity among them. In the northwestern Pacific Ocean, there is a paucity of information on song dynamics and linkages across the ocean basin. Here, we quantified fine-scale song evolution in whales near Okinawa, Japan, using similarity indices (Levenshtein distance and Dice's similarity) and song complexity measures to investigate three consecutive years (2011-2013) of song dynamics on this breeding ground. Matched song themes revealed minimal evolution between 2011 and 2012, while the 2013 song was more distinct, as singers sang both new and evolved versions of themes. This was mirrored by the song complexity scores, which decreased and then increased over time. Qualitative comparisons of Okinawa song themes to other published North Pacific breeding ground songs revealed many themes were shared across the North Pacific, contributing to the growing body of evidence of a single panmictic song lineage across the North Pacific Ocean basin, in contrast to the South Pacific. Understanding geographically differing song dynamics is essential to revealing the underlying drivers of this ocean basin-wide non-human culture.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241388"},"PeriodicalIF":2.9,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11813571/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143410152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Anh Van Nguyen, Anh Thi Ngoc Vu, Andrey N Utenyshev, Valeriy Tkachev, Nadezhda Polyanskaya, Dmitriy Shchevnikov, Magrarita Vasil'eva, Hieu Tran-Trung, Xuan Ha Nguyen, Olga V Kovalchukova
{"title":"Crystallographic and computational characterization and <i>in silico</i> target fishing of six aromatic and aliphatic sulfonamide derivatives.","authors":"Anh Van Nguyen, Anh Thi Ngoc Vu, Andrey N Utenyshev, Valeriy Tkachev, Nadezhda Polyanskaya, Dmitriy Shchevnikov, Magrarita Vasil'eva, Hieu Tran-Trung, Xuan Ha Nguyen, Olga V Kovalchukova","doi":"10.1098/rsos.241402","DOIUrl":"10.1098/rsos.241402","url":null,"abstract":"<p><p>The molecular and crystal structures of six compounds containing sulfonamide moieties are described. It has been shown that the geometric parameters of the sulfonamide group depend little on the nature of the substituents. Their bond lengths and bond angles remain almost the same and are in good accordance with those known from the literature. In crystals, depending on the type of substituents the molecules exist in the form of either monomers or dimers joined by intermolecular hydrogen bonds involving sulfonamide fragments. Introduction of large substituents into the molecules changes the way of packing of the studied sulfonamides and decreases the number of intermolecular hydrogen bonds in the crystals. The value of this dihedral angle may affect the nature and strength of the intermolecular bonding of the species in crystals. <i>In silico</i> analyses predicted low toxicity and potential enzyme inhibition, along with antiprotozoal properties, suggesting these compounds as candidates against protozoan pathogens. Molecular docking confirmed inhibitory potential against trypanothione reductase, supporting antiprotozoal activity. Consequently, these compounds may serve as promising lead-like molecules for drug development targeting protozoan infections.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241402"},"PeriodicalIF":2.9,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11793975/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143256650","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Evolution under intensive industrial breeding: skull size and shape comparison between historic and modern pig lineages.","authors":"A Haruda, A Evin, F Steinheimer, R Schafberg","doi":"10.1098/rsos.241039","DOIUrl":"10.1098/rsos.241039","url":null,"abstract":"<p><p>Domestication and subsequent human-induced selection has enhanced profound changes in animal morphology. On modern domestic pigs, those transformations encompass not only overall increases in body size but also modifications in skull morphology. While skull morphological differences between modern domestic pigs and wild boar are relatively well-documented, less understood is the variation and underlying mechanisms associated with intensive breeding. In this study, we investigated the rate and direction of phenotypic change of skull morphology using a unique dataset that includes two lineages of German domestic pig that were subjected to similar intensive industrial selection pressures throughout the twentieth century, alongside contemporaneous populations of German wild boar. Size and shape variation of 135 specimens was quantified through geometric morphometrics, with 82 three-dimensional landmarks. We find expected differences in skull shape between wild and domestic pigs, but also convergence between the two domestic lineages through the century of directed breeding, despite population segregation. Our results suggest that cranial morphologies have rapidly responded to selection pressure that is independent of genetic isolation. This also suggests that pig morphotypes quickly reflect human agency and impact upon domestic animal phenotypes, revealing a pathway to investigate early human breeding activity in ancient and historical contexts.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241039"},"PeriodicalIF":2.9,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11793964/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143256651","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Eric Guiry, Fiona Beglane, Finbar McCormick, Eric Tourigny, Michael P Richards
{"title":"Pigs, people, and proximity: a 6000-year isotopic record of pig management in Ireland.","authors":"Eric Guiry, Fiona Beglane, Finbar McCormick, Eric Tourigny, Michael P Richards","doi":"10.1098/rsos.241300","DOIUrl":"10.1098/rsos.241300","url":null,"abstract":"<p><p>The ways that pigs interact with humans are more flexible than other livestock. This plasticity means that pig behaviour can evidence a tremendous range of cultural phenomena, some of which may not otherwise show up in the archaeological record. We explore how people and pigs interacted in Ireland over 6000 years (4000 BC-AD 1900) from the perspective of isotopic zooarchaeology, using a large sample of pigs from 40 sites. Results demonstrate continuity and dramatic change. While pig diets show an emphasis on pannage throughout much of the period, husbandry was fundamentally reconstructed in the early medieval period. Through prehistory, pigs were herded in areas distant from human settlements, whereas later they were relocated to live near people. We explore potential implications of these patterns at a range of scales, from economics, to perspectives on zoonoses, and animal agency. While syntheses of a similar scope are needed for other areas of Europe, these findings may reflect a uniquely Irish trajectory of human-animal relationships.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241300"},"PeriodicalIF":2.9,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11793965/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143256655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pedro Henrique Dobroes Fonseca, Filipe Miguel Borgas Henriques Duarte, Frederico Silva de Sousa Alves, Jose Alberto de Jesus Borges, Susana Isabel Pinheiro Cardoso, Vania Cristina Henriques Silverio, Wilson David Talhao Antunes
{"title":"SOLARIS project: a portable 3D-printed bioaerosol sampler for environmental bacterial collection.","authors":"Pedro Henrique Dobroes Fonseca, Filipe Miguel Borgas Henriques Duarte, Frederico Silva de Sousa Alves, Jose Alberto de Jesus Borges, Susana Isabel Pinheiro Cardoso, Vania Cristina Henriques Silverio, Wilson David Talhao Antunes","doi":"10.1098/rsos.240364","DOIUrl":"10.1098/rsos.240364","url":null,"abstract":"<p><p>Bioaerosols, a subset of aerosols released from the biosphere, can carry pathogens, and include particles with diameters from nanometres to a few micrometres. They can remain suspended indoors and travel significant distances. Bioaerosol studies play a vital role in public health, as bioaerosols are an effective route for human and animal pathogen transmission, especially in animal production and handling facilities, which are considered hotspots for the emergence of zoonotic pathogens. The 'One Health' approach, which interconnects human, animal and environmental health, underscores the need for robust biomonitoring and biosurveillance systems. We introduce the SOLARIS project, a novel bioaerosol sampler manufactured through three-dimensional printing with a biocompatible material. Our sampler is compact, portable and uses a liquid collection medium, increasing bioefficiency. Our sampler's laboratory testing demonstrated the successful separation of viable <i>Escherichia coli</i> bacteria from artificially generated bioaerosols. Collected samples were found suitable for downstream analysis methods such as culturing, mass spectrometry, molecular detection and electron microscopy. A field trial at a swine facility was performed, in which <i>Clostridioides difficile</i> spores were successfully collected from bioaerosols and identified using microbiological and molecular methods, reinforcing our sampler's utility and emphasizing the significance of incorporating aerosol samples in research studies within the One Health approach.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"240364"},"PeriodicalIF":2.9,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11796458/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143256657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rachelle N Binny, Graham J Hickling, Alex James, Chris N Niebuhr
{"title":"Modelling transmission and control of <i>Toxoplasma gondii</i> in New Zealand farmland.","authors":"Rachelle N Binny, Graham J Hickling, Alex James, Chris N Niebuhr","doi":"10.1098/rsos.241282","DOIUrl":"10.1098/rsos.241282","url":null,"abstract":"<p><p><i>Toxoplasma gondii</i> is one of the world's most prevalent parasites and has significant impacts on the health of humans, domestic animals and wildlife. In New Zealand's rural environments, <i>T. gondii</i> creates economic losses for the farming industry and threatens vulnerable native avifauna and marine mammals. Predator control of rodents and feral cats has potential to reduce or even eliminate transmission of <i>T. gondii</i> on farms; however, the efficacy of such management is uncertain. We apply a mathematical model of <i>T. gondii</i> transmission dynamics in feral cat and rodent populations in New Zealand farmland and simulate varying intensities of predator control to predict changes in <i>T. gondii</i> prevalence and environmental contamination levels over time. The model predicts that predator control is relatively ineffective for reducing transmission in areas with high environmental contamination rates. However, assuming low rates of environmental contamination, local elimination of <i>T. gondii</i> could be achievable, for example, by control that sustains large reductions of 88%, 69% and 59% in feral cat, house mouse and ship rat populations, respectively, over 56 weeks. Predator control is, therefore, a potentially viable approach for managing <i>T. gondii</i> in some rural environments, but only if high levels of population control are sustained.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241282"},"PeriodicalIF":2.9,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11793971/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143256654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Investigating the encapsulation of lead bromide perovskite with poly(3-bromothiophene) for improved aqua stability and enhanced fluorescence memory.","authors":"Debasis Brahma, Jit Satra, Sayan Basak, Subhadeep Chakraborty, Rahul Chatterjee, Suman Acharya, Debdipta Basu, Abhijit Bandyopadhyay","doi":"10.1098/rsos.241067","DOIUrl":"10.1098/rsos.241067","url":null,"abstract":"<p><p>Formamidinium lead bromide (FAPbBr<sub>₃</sub>) perovskites are promising candidates for optoelectronic applications owing to their exceptional semiconducting and photoluminescent properties. However, their high sensitivity to environmental factors like moisture and polar solvents limits their long-term stability, posing a barrier to commercial applications. This study addresses this stability challenge by encapsulating FAPbBr<sub>₃</sub> in poly(3-bromothiophene) (PTBr), a high molecular-weight-conducting polymer, to enhance resistance to aqueous and solvent-based degradation. The PTBr encapsulation was found to significantly improve the thermal and environmental stability of FAPbBr<sub>₃</sub>, as evidenced by thermogravimetric analysis, which revealed a reduced and delayed mass loss and an increased residual mass (up to 28.17% in composites with 70% PTBr content). Photoluminescence studies demonstrated that the encapsulated composites exhibited a mean fluorescence lifetime of 87.4 ns, compared with 12.56% fluorescence retention in unencapsulated FAPbBr<sub>₃</sub> after exposure to moisture for 45 days. Moreover, encapsulated FAPbBr<sub>₃</sub> retained over 80% of its green light fluorescence intensity even after 1 year, whereas the unencapsulated sample degraded to less than 5%. Notably, the composites displayed fluorescence recovery upon exposure to polar solvents, further highlighting PTBr's protective role. These findings provide a practical, non-interacting encapsulation strategy that enhances both the environmental and thermal stability of FAPbBr<sub>₃</sub> while preserving its emission characteristics, offering potential to support the further development of perovskite-based optoelectronic devices for practical applications.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241067"},"PeriodicalIF":2.9,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11793974/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143256652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The neural substrate of navigation using hydrostatic cues in goldfish.","authors":"Shachar Givon, Renana Altsuler-Nagar, Ronen Segev","doi":"10.1098/rsos.241869","DOIUrl":"10.1098/rsos.241869","url":null,"abstract":"<p><p>Hydrostatic pressure is a global sensory cue exploited by fish to navigate in the vertical dimension. Unlike other navigational cues in the horizontal plane that usually require learning and memory to determine location, hydrostatic pressure signals the absolute position along the vertical axis. Recently, it was shown that fish can use hydrostatic signals to navigate. It remains unclear, however, which brain regions are involved in processing this signal. Here, we tested whether the dorsomedial and lateral parts of the pallium, two regions that were found to be critical in horizontal navigation, are also critical for hydrostatic cue detection in goldfish. The results show that lesions to both these regions cause fish performance to deteriorate to chance values, indicating that both regions play an important role in processing hydrostatic pressure cues. These findings thus contribute to the rapidly growing body of knowledge on teleost navigation in space.</p>","PeriodicalId":21525,"journal":{"name":"Royal Society Open Science","volume":"12 2","pages":"241869"},"PeriodicalIF":2.9,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11793961/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143256658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}