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Dioxygen: What Makes This Triplet Diradical Kinetically Persistent? (open access)

Dioxygen: What Makes This Triplet Diradical Kinetically Persistent?

This article examines experimental heats of formation and enthalpies obtained from G4 calculations to find that the resonance stabilization of the two unpaired electrons in triplet O₂, relative to the unpaired electrons in two hydroxyl radicals, amounts to 100 kcal/mol.
Date: June 14, 2017
Creator: Borden, Weston T.; Hoffmann, Roald; Stuyver, Thijs & Chen, Bo
System: The UNT Digital Library
Transcriptome of Endophyte-Positive and Endophyte-Free Tall Fescue Under Field Stresses (open access)

Transcriptome of Endophyte-Positive and Endophyte-Free Tall Fescue Under Field Stresses

This article is a study that represents the first transcriptome analysis of E+ and E− Texoma tall fescue under freezing and chilling temperatures in the natural field environment.
Date: June 14, 2022
Creator: Islam, Shofiqul; Krom, Nick; Kwon, Taegun; Li, Guifen & Saha, Malay
System: The UNT Digital Library
Quantum algorithm for electronic band structures with local tight-binding orbitals (open access)

Quantum algorithm for electronic band structures with local tight-binding orbitals

Article says that while the main thrust of quantum computing research in materials science is to accurately measure the classically intractable electron correlation effects due to Coulomb repulsion, designing optimal quantum algorithms for simpler problems with well-understood solutions is a useful tactic to advance our quantum “toolbox”. In this paper, the authors adopt a direct space approach, using a novel hybrid first/second-quantized qubit mapping which allows us to construct a single Hamiltonian, and a single cost-function, suitable for solving the entire electronic band structure.
Date: June 14, 2022
Creator: Sherbert, Kyle; Jayaraj, Anooja & Buongiorno Nardelli, Marco
System: The UNT Digital Library
A role for ascorbate conjugates of (+)-catechin in proanthocyanidin polymerization (open access)

A role for ascorbate conjugates of (+)-catechin in proanthocyanidin polymerization

Article describes how both biochemically and genetically, that ascorbate (AsA) is an alternative “starter unit” to flavan-3-ol monomers for leucocyanidin-derived (+)-catechin subunit extension in the Arabidopsis thaliana anthocyanidin synthase (ans) mutant. The authors' findings advance the knowledge of (+)-catechin-type PA extension and indicate that PA oligomerization does not necessarily proceed by sequential addition of a single extension unit. AsA-[C]n defines a new type of PA intermediate which we term “sub-PAs”.
Date: June 14, 2022
Creator: Yu, Keji; Dixon, R. A. & Duan, Changquing
System: The UNT Digital Library