Publications by authors named "F J Murillo"

Sponges are key ecosystem engineers that shape, structure and enhance the biodiversity of marine benthic communities globally. Sponge aggregations and reefs are recognized as vulnerable marine ecosystems (or VMEs) due to their susceptibility to damage from bottom-contact fishing gears. Ensuring their long-term sustainability, preservation, and ecosystem functions requires the implementation of sound scientific conservation tools.

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Knowledge of spatial distribution patterns of biodiversity is key to evaluate and ensure ocean integrity and resilience. Especially for the deep ocean, where in situ monitoring requires sophisticated instruments and considerable financial investments, modeling approaches are crucial to move from scattered data points to predictive continuous maps. Those modeling approaches are commonly run on the macrobial level, but spatio-temporal predictions of host-associated microbiomes are not being targeted.

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In this study, we elucidate the reaction mechanism for capturing CO with the ZnL(MeOH) complex (L=diacetyl-2-(4-methyl-3-thiosemicarbazone)-3-(2-hydrazinatopyridine)) in a methanol solution, using density functional theory calculations. One pathway involves the protonation of ZnL(MeOH) by methylcarbonic acid, followed by ligand exchange of MeOH with MeOCO . An alternative mechanism suggests a tautomerization between ZnL(MeOH) and Zn(HL)(OMe), followed by CO insertion.

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In this study, we delved into the structure of BH and questioned some of its accepted assumptions. By exploring the potential energy surface, we found a new three-dimensional structure as the global minimum. This finding is in contrast with the previously hypothesized planar and cage-like models.

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The notion that a regular icosahedron is unattainable in neutral BH has persisted for nearly 70 years. This is because 24 valence electrons are used for B-H bonds, while another 24 electrons are necessary to maintain the deltahedron, unlike the 26 used in the dianion. According to Wade-Mingos rules, the neutral system should be a deltahedron with a capped face.

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