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Saxitoxin and tetrodotoxin bioavailability increases in future oceans (2019)
Journal Article
Roggatz, C. C., Fletcher, N., Benoit, D. M., Algar, A. C., Doroff, A., Wright, B., …Hardege, J. D. (2019). Saxitoxin and tetrodotoxin bioavailability increases in future oceans. Nature Climate Change, 9(11), 840-844. https://doi.org/10.1038/s41558-019-0589-3

© 2019, The Author(s), under exclusive licence to Springer Nature Limited. Increasing atmospheric CO2 levels are largely absorbed by the ocean, decreasing surface water pH1. In combination with increasing ocean temperatures, these changes have been i... Read More about Saxitoxin and tetrodotoxin bioavailability increases in future oceans.

The i-process yields of rapidly accreting white dwarfs from multicycle He-shell flash stellar evolution models with mixing parametrizations from 3D hydrodynamics simulations (2019)
Journal Article
Denissenkov, P. A., Herwig, F., Woodward, P., Andrassy, R., Pignatari, M., & Jones, S. (2019). The i-process yields of rapidly accreting white dwarfs from multicycle He-shell flash stellar evolution models with mixing parametrizations from 3D hydrodynamics simulations. Monthly notices, containing papers, abstracts of papers, and reports of the proceedings of the Society, 488(3), 4258-4270. https://doi.org/10.1093/mnras/stz1921

Galactic chemical evolution of radioactive isotopes (2019)
Journal Article
Côté, B., Lugaro, M., Reifarth, R., Pignatari, M., Világos, B., Yagüe, A., & Gibson, B. K. (2019). Galactic chemical evolution of radioactive isotopes. The Astrophysical journal, 878(2), https://doi.org/10.3847/1538-4357/ab21d1

The presence of short-lived (∼ Myr) radioactive isotopes in meteoritic inclusions at the time of their formation represents a unique opportunity to study the circumstances that led to the formation of the Solar System. To interpret these observations... Read More about Galactic chemical evolution of radioactive isotopes.

Using failed supernovae to constrain the Galactic r-process element production (2019)
Journal Article
Wehmeyer, B., Wehmeyer, B., Fröhlich, C., Fröhlich, C., Côté, B., Côté, B., …Thielemann, F. K. (2019). Using failed supernovae to constrain the Galactic r-process element production. Monthly notices, containing papers, abstracts of papers, and reports of the proceedings of the Society, 487(2), 1745-1753. https://doi.org/10.1093/mnras/stz1310

Rapid neutron capture process (r-process) elements have been detected in a large fraction of metal-poor halo stars, with abundances relative to iron (Fe) that vary by over two orders of magnitude. This scatter is reduced to less than a factor of 3 in... Read More about Using failed supernovae to constrain the Galactic r-process element production.

Neutron star mergers might not be the only source of r-process elements in the Milky Way (2019)
Journal Article
Côté, B., Eichler, M., Arcones, A., Hansen, C. J., Simonetti, P., Frebel, A., …Matteucci, F. (2019). Neutron star mergers might not be the only source of r-process elements in the Milky Way. The Astrophysical journal, 875(2), 106. https://doi.org/10.3847/1538-4357/ab10db

Probing the origin of r-process elements in the universe represents a multidisciplinary challenge. We review the observational evidence that probes the properties of r-process sites, and address them using galactic chemical evolution simulations, bin... Read More about Neutron star mergers might not be the only source of r-process elements in the Milky Way.

H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates (2019)
Journal Article
Lauvergnat, D., Felker, P., Scribano, Y., Benoit, D. M., & Bačić, Z. (2019). H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates. The Journal of chemical physics, 150(15), https://doi.org/10.1063/1.5090573

We report the first fully coupled quantum six-dimensional (6D) bound-state calculations of the vibration-translation-rotation eigenstates of a flexible H2, HD, and D2 molecule confined inside the small cage of the structure II clathrate hydrate embed... Read More about H2, HD, and D2 in the small cage of structure II clathrate hydrate: vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates.

A model to predict acoustic resonant frequencies of distributed Helmholtz resonators on gas turbine engines (2019)
Journal Article
Wang, J., Rubini, P., Qin, Q., & Houston, B. (2019). A model to predict acoustic resonant frequencies of distributed Helmholtz resonators on gas turbine engines. Applied Sciences, 9(7), 1419. https://doi.org/10.3390/app9071419

Helmholtz resonators, traditionally designed as a narrow neck backed by a cavity, are widely applied to attenuate combustion instabilities in gas turbine engines. The use of multiple small holes with an equivalent open area to that of a single neck h... Read More about A model to predict acoustic resonant frequencies of distributed Helmholtz resonators on gas turbine engines.

Enrichment of the Galactic disc with neutron capture elements: Sr (2019)
Journal Article
Mishenina, T., Pignatari, M., Gorbaneva, T., Bisterzo, S., Travaglio, C., Thielemann, F. K., & Soubiran, C. (2019). Enrichment of the Galactic disc with neutron capture elements: Sr. Monthly notices, containing papers, abstracts of papers, and reports of the proceedings of the Society, 484(3), 3846-3864. https://doi.org/10.1093/mnras/stz178

The enrichment history of heavy neutron-capture elements in the Milky Way disc provides fundamental information about the chemical evolution of our Galaxy and about the stellar sources that made those elements. In this work we give new observational... Read More about Enrichment of the Galactic disc with neutron capture elements: Sr.

Nucleosynthetic yields from neutron stars accreting in binary common envelopes (2019)
Journal Article
Keegans, J. D., Fryer, C. L., Jones, S. W., Côté, B., Belczynski, K., Herwig, F., …Diget, C. A. (2019). Nucleosynthetic yields from neutron stars accreting in binary common envelopes. Monthly notices, containing papers, abstracts of papers, and reports of the proceedings of the Society, 485(1), 620-639. https://doi.org/10.1093/mnras/stz368

© 2019 The Author(s) Published by Oxford University Press on behalf of the Royal Astronomical Society. Massive-star binaries can undergo a phase where one of the two stars expands during its advanced evolutionary stage as a giant and envelops its com... Read More about Nucleosynthetic yields from neutron stars accreting in binary common envelopes.

The inhibitory subunit of cardiac troponin (cTnI) is modified by arginine methylation in the human heart (2019)
Journal Article
Onwuli, D. O., Samuel, S., Sfyri, P., Welham, K., Goddard, M., Abu-Omar, Y., …Beltran-Alvarez, P. (2019). The inhibitory subunit of cardiac troponin (cTnI) is modified by arginine methylation in the human heart. International journal of cardiology, 282, 76-80. https://doi.org/10.1016/j.ijcard.2019.01.102

Background The inhibitory subunit of cardiac troponin (cTnI) is a gold standard cardiac biomarker and also an essential protein in cardiomyocyte excitation-contraction coupling. The interactions of cTnI with other proteins are fine-tuned by post-tra... Read More about The inhibitory subunit of cardiac troponin (cTnI) is modified by arginine methylation in the human heart.

Enrichment of the Galactic disc with neutron-capture elements: Mo and Ru (2019)
Journal Article
Thielemann, F. K., Mishenina, T., Pignatari, M., Gorbaneva, T., Travaglio, C., Côté, B., …Soubiran, C. (2019). Enrichment of the Galactic disc with neutron-capture elements: Mo and Ru. Monthly notices of the Royal Astronomical Society, 489(2), 1697-1708. https://doi.org/10.1093/mnras/stz2202

© 2019 The Author(s). We present new observational data for the heavy elements molybdenum (Mo, Z = 42) and ruthenium (Ru, Z = 44) in F-, G-, and K-stars belonging to different substructures of the Milky Way. The range of metallicity covered is -1.0 <... Read More about Enrichment of the Galactic disc with neutron-capture elements: Mo and Ru.

Development of a novel risk prediction and risk stratification score for polycystic ovary syndrome (PCOS) (2018)
Journal Article
Deshmukh, H., Papageorgiou, M., Kilpatrick, E. S., Atkin, S. L., & Sathyapalan, T. (in press). Development of a novel risk prediction and risk stratification score for polycystic ovary syndrome (PCOS). Clinical Endocrinology, 90(1), 162-169. https://doi.org/10.1111/cen.13879

Objective The aim of this study was to develop a simple phenotypic algorithm that can capture the underlying clinical and hormonal abnormalities to help in the diagnosis and risk stratification of polycystic ovary syndrome (PCOS). Methods The study... Read More about Development of a novel risk prediction and risk stratification score for polycystic ovary syndrome (PCOS).

Genomic signatures of local adaptation to the degree of environmental predictability in rotifers (2018)
Journal Article
Franch-Gras, L., Hahn, C., García-Roger, E. M., Carmona, M. J., Serra, M., & Gómez, A. (2018). Genomic signatures of local adaptation to the degree of environmental predictability in rotifers. Scientific reports, 8(1), https://doi.org/10.1038/s41598-018-34188-y

Environmental fuctuations are ubiquitous and thus essential for the study of adaptation. Despite this, genome evolution in response to environmental fuctuations —and more specifcally to the degree of environmental predictability– is still unknown. Sa... Read More about Genomic signatures of local adaptation to the degree of environmental predictability in rotifers.

Effects of acute insulin-induced hypoglycaemia on endothelial microparticles in adults with and without type 2 diabetes (2018)
Journal Article
Al-Qaissi, A., Papageorgiou, M., Deshmukh, H., Madden, L. A., Rigby, A., Kilpatrick, E. S., …Sathyapalan, T. (2019). Effects of acute insulin-induced hypoglycaemia on endothelial microparticles in adults with and without type 2 diabetes. Diabetes, Obesity and Metabolism, 21(3), 533-540. https://doi.org/10.1111/dom.13548

Aims Endothelial microparticles (EMPs) are novel surrogate markers of endothelial injury and dysfunction that may be differentially produced in response to acute insulin‐induced hypoglycaemia in adults with and without type 2 diabetes.

The s process in AGB stars as constrained by a large sample of barium stars (2018)
Journal Article
Cseh, B., Lugaro, M., D'Orazi, V., de Castro, D. B., Pereira, C. B., Karakas, A. I., …Cristallo, S. (2018). The s process in AGB stars as constrained by a large sample of barium stars. Astronomy and astrophysics, 620, https://doi.org/10.1051/0004-6361/201834079

© ESO 2018. Context. Barium (Ba) stars are dwarf and giant stars enriched in elements heavier than iron produced by the slow neutron-capture process (s process). These stars belong to binary systems in which the primary star evolved through the asymp... Read More about The s process in AGB stars as constrained by a large sample of barium stars.

Hybrid Bridge-Based Memetic Algorithms for Finding Bottlenecks in Complex Networks (2018)
Journal Article
Chalupa, D., Hawick, K., & Walker, J. (2018). Hybrid Bridge-Based Memetic Algorithms for Finding Bottlenecks in Complex Networks. Big Data Research, 14, 68-80. https://doi.org/10.1016/j.bdr.2018.04.001

We propose a memetic approach to find bottlenecks in complex networks based on searching for a graph partitioning with minimum conductance. Finding the optimum of this problem, also known in statistical mechanics as the Cheeger constant, is one of th... Read More about Hybrid Bridge-Based Memetic Algorithms for Finding Bottlenecks in Complex Networks.

Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity (2018)
Journal Article
Chen, L., Vivier, E., Eling, C. J., Babra, T. S., Bouillard, J. S. G., Adawi, A. M., …Greenland, B. W. (2018). Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity. Synthetic Metals, 241, 31-38. https://doi.org/10.1016/j.synthmet.2018.03.019

© 2018 An iterative synthesis has been used to produce conjugated, monodisperse, viologen-based aromatic oligomers containing up to 12 aromatic/heterocyclic rings. The methoxy-substituted oligomers were soluble in common organic solvents and could be... Read More about Conjugated, rod-like viologen oligomers: Correlation of oligomer length with conductivity and photoconductivity.

The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules (2018)
Journal Article
Roggatz, C. C., Lorch, M., & Benoit, D. M. (2018). The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules. Journal of chemical theory and computation : JCTC, 14(5), 2684-2695. https://doi.org/10.1021/acs.jctc.7b01020

In this study, we assess the influence of solvation on the accuracy and reliability of isotropic nuclear magnetic shielding calculations for amino acids in comparison to experimental data. We focus particularly on the performance of solvation methods... Read More about The influence of solvent representation on nuclear shielding calculations of protonation states of small biological molecules.

Role of core-collapse supernovae in explaining Solar System abundances of p nuclides (2018)
Journal Article
Travaglio, C., Rauscher, T., Heger, A., Pignatari, M., & West, C. (2018). Role of core-collapse supernovae in explaining Solar System abundances of p nuclides. The Astrophysical journal, 854(1), https://doi.org/10.3847/1538-4357/aaa4f7

The production of the heavy stable proton-rich isotopes between 74Se and 196Hg—the p nuclides—is due to the contribution from different nucleosynthesis processes, activated in different types of stars. Whereas these processes have been subject to var... Read More about Role of core-collapse supernovae in explaining Solar System abundances of p nuclides.

The furan microsolvation blind challenge for quantum chemical methods: First steps (2018)
Journal Article
Gottschalk, H. C., Poblotzki, A., Suhm, M. A., Al-Mogren, M. M., Antony, J., Auer, A. A., …Mata, R. A. (2018). The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of chemical physics, 148(1), https://doi.org/10.1063/1.5009011

© 2018 Author(s). Herein we present the results of a blind challenge to quantum chemical methods in the calculation of dimerization preferences in the low temperature gas phase. The target of study was the first step of the microsolvation of furan, 2... Read More about The furan microsolvation blind challenge for quantum chemical methods: First steps.