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Molecular Dynamics Simulations of the [2Fe–2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release (open access)

Molecular Dynamics Simulations of the [2Fe–2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release

Article examines NEET proteins and aberrant cluster release, which is implicated in a variety of human diseases, including cancer.
Date: October 31, 2017
Creator: Pesce, Luca; Calandrini, Vania; Marjault, Henri-Baptiste; Lipper, Colin H.; Rossetti, Gulia; Mittler, Ron et al.
System: The UNT Digital Library
Polarizable ab initio QM/MM Study of the Reaction Mechanism of N-tert-Butyloxycarbonylation of Aniline in [EMIm][BF4] (open access)

Polarizable ab initio QM/MM Study of the Reaction Mechanism of N-tert-Butyloxycarbonylation of Aniline in [EMIm][BF4]

This article presents the use of AMOEBA-based polarizable ab initio AM/MM simulations to investigate the reaction mechanism of the N-tert-butoxycarbonylation of aniline in a water/1-ethyl, 3-methyl imidazolium/tetrafluoroborate mixture.
Date: October 31, 2018
Creator: Vázquez-Montelongo, Erik Antonio; Vázquez-Cervantes, José Enrique & Cisneros, Gerardo Andrés
System: The UNT Digital Library
Differential effects of soil conservation practices on arthropods and crop yields (open access)

Differential effects of soil conservation practices on arthropods and crop yields

Article describes how many agricultural management tactics, such as reduced tillage, aim to promote biodiversity and ecosystem services. Authors assessed how soil tillage and landscape context affected arthropod biodiversity and crop yield in canola crop fields.
Date: October 31, 2023
Creator: Lichtenberg, Elinor M.; Milosavljević, Ivan; Campbell, Alistair J. & Crowder, David W.
System: The UNT Digital Library