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All Outputs (6)

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.

Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets (2019)
Journal Article
Felker, P. M., Lauvergnat, D., Scribano, Y., Benoit, D. M., & Bačić, Z. (2019). Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets. The Journal of chemical physics, 151(12), Article 124311. https://doi.org/10.1063/1.5124051

We report the results of calculations pertaining to the HH intramolecular stretching fundamentals of (p-H2)2 encapsulated in the large cage of structure II clathrate hydrate. The eight-dimensional (8D) quantum treatment assumes rotationless (j = 0) H... Read More about Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets.

Short-and medium-term exposure to ocean acidification reduces olfactory sensitivity in gilthead seabream (2019)
Journal Article
Velez, Z., Roggatz, C. C., Benoit, D. M., Hardege, J., & Hubbard, P. C. (2019). Short-and medium-term exposure to ocean acidification reduces olfactory sensitivity in gilthead seabream. Frontiers in Physiology, 10, Article 731. https://doi.org/10.3389/fphys.2019.00731

The effects of ocean acidification on fish are only partially understood. Studies on olfaction are mostly limited to behavioural alterations of coral reef fish; studies on temperate species and/or with economic importance are scarce. The current stu... Read More about Short-and medium-term exposure to ocean acidification reduces olfactory sensitivity in gilthead seabream.

The vibrational signatures of polyaromatic hydrocarbons on an ice surface (2019)
Journal Article
Clark, V. H., & Benoit, D. M. (2019). The vibrational signatures of polyaromatic hydrocarbons on an ice surface. IAU symposium and colloquium proceedings series / International Astronomical Union. Symposium, 15(S350), 468-470. https://doi.org/10.1017/S174392131900944X

© International Astronomical Union 2020. We use quantum chemical techniques to model the vibrational spectra of small aromatic molecules on a proton-ordered hexagonal crystalline water ice (XIh) model. We achieve a good agreement with experimental da... Read More about The vibrational signatures of polyaromatic hydrocarbons on an ice surface.

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), Article 154303. 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.

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.