Advanced modeling of materials with PAOFLOW 2.0: New features and software design (open access)

Advanced modeling of materials with PAOFLOW 2.0: New features and software design

This article describes the recent re-design of the code and the new features and improvements in performance of PAOFLOW, a software tool that constructs tight-binding Hamiltonians from self-consistent electronic wavefunctions by projecting onto a set of atomic orbitals.
Date: September 2, 2021
Creator: Cesaroli, Frank T.; Supka, Andrew; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Sławińska, Jagoda et al.
System: The UNT Digital Library
A gene-editing/complementation strategy for tissue-specific lignin reduction while preserving biomass yield (open access)

A gene-editing/complementation strategy for tissue-specific lignin reduction while preserving biomass yield

This article develops a method, using a single DNA construct that uses CRISPR–Cas9 gene editing to knock-out expression of an endogenous gene of lignin monomer biosynthesis while at the same time expressing a modified version of the gene’s open reading frame that escapes cutting by the Cas9 system and complements the introduced mutation in a tissue-specific manner. This method is applicable to any plant species in which transformation and gene editing are feasible and validated vessel-specific promoters are available.
Date: September 3, 2021
Creator: Yu, Hasi; Liu, Chang & Dixon, R. A.
System: The UNT Digital Library
Developmental programming of DNA methylation and gene expression patterns is associated with extreme cardiovascular tolerance to anoxia in the common snapping turtle (open access)

Developmental programming of DNA methylation and gene expression patterns is associated with extreme cardiovascular tolerance to anoxia in the common snapping turtle

This article explores DNA methylation's role in the regulation of gene expression in reptiles. Results show that embryonic hypoxia programs DNA methylation and gene expression patterns and that these changes are associated with enhanced cardiac anoxia tolerance in snapping turtles later in life.
Date: September 6, 2021
Creator: Ruhr, Ilan; Bierstedt, Jacob; Rhen, Turk; Das, Debojyoti; Singh, Sunil Kumar; Miller, Solielle et al.
System: The UNT Digital Library
Event-Driven Deep Learning for Edge Intelligence (EDL-EI) (open access)

Event-Driven Deep Learning for Edge Intelligence (EDL-EI)

Article on deep-learning framework for edge intelligence EDL-EI (event-driven deep learning for edge intelligence). To verify the proposed framework, the authors include a case study of air-quality scenarios based for the most polluted cities in South Korea and China.
Date: September 8, 2021
Creator: Shah, Sayed Khushal; Tariq, Zeenat; Lee, Jeehwan & Lee, Yugyung
System: The UNT Digital Library
Simulation of the formation of antihydrogen via magnetobound positronium (open access)

Simulation of the formation of antihydrogen via magnetobound positronium

This article simulates Antihydrogen formation involving magnetobound positronium by computing classical trajectories.
Date: September 9, 2021
Creator: Aguirre, F. F. & Ordonez, Carlos A.
System: The UNT Digital Library
Re-engineering Plant Phenylpropanoid Metabolism With the Aid of Synthetic Biosensors (open access)

Re-engineering Plant Phenylpropanoid Metabolism With the Aid of Synthetic Biosensors

Article that provides a brief overview of current research on synthetic biology and metabolic engineering approaches to control phenylpropanoid synthesis and phenylpropanoid-related biosensors, advocating for the use of biosensors and genetic circuits as a step forward in plant synthetic biology to develop autonomously-controlled phenylpropanoid-producing plant biofactories.
Date: September 16, 2021
Creator: Ferreira, Savio S. & Antunes, Mauricio S.
System: The UNT Digital Library
Excited State Charge Separation in an Azobenzene-Bridged Perylenediimide Dimer – Effect of Photochemical Trans-Cis Isomerization (open access)

Excited State Charge Separation in an Azobenzene-Bridged Perylenediimide Dimer – Effect of Photochemical Trans-Cis Isomerization

Article demonstrating photoinduced charge transfer and separation events in a newly synthesized azobenzene-bridged perylenediimide-dimer (PDI-dimer). Results offer key insights on the role of the azobenzene bridge and the dimer geometry in governing the excited state charge transfer and separation in symmetrically linked PDI dimer.
Date: September 20, 2021
Creator: Zink-Lorre, Nathalie; Seetharaman, Sairaman; Gutiérrez-Moreno, David; Fernández-Lázaro, Fernando; Karr, Paul A. & D'Souza, Francis
System: The UNT Digital Library
A Miniature Permanent Magnet Assembly with Localized and Uniform Field with an Application to Optical Pumping of Helium (open access)

A Miniature Permanent Magnet Assembly with Localized and Uniform Field with an Application to Optical Pumping of Helium

Article using simulations and experimental measurements to design, build, and test a compact and uniform magnetic field source and then apply it to the optical pumping of atomic helium.
Date: September 24, 2021
Creator: Cameron, Garnet; Cuevas, Jonathan; Pound, Jeffrey Jr. & Shiner, David
System: The UNT Digital Library
New reactions of diazene and related species for modelling combustion of amine fuels (open access)

New reactions of diazene and related species for modelling combustion of amine fuels

Article discusses how potential energy surfaces for reactions involving N2H2 isomers of diazene (diimide) have been explored using density functional theory, with energies based on coupled-cluster theory. A focus is on processes that create or consume these species, and isomerization between the E (trans) and Z (cis) forms of HNNH. This is the accepted manuscript version of the published article.
Date: September 24, 2021
Creator: Marshall, Paul; Rawling, George R. & Glarborg, Peter
System: The UNT Digital Library
Descriptive Complexity in Cantor Series (open access)

Descriptive Complexity in Cantor Series

Article discusses how a Cantor series expansion for a real number x with respect to a basic sequence Q=(q), where qi≥2, is a generalization of the base b expansion to an infinite sequence of bases. The authors show that for any basic sequence the set of distribution normal numbers is Π03-complete, and if Q is 1-divergent then the sets of normal and ratio normal numbers are Π03-complete.
Date: September 27, 2021
Creator: Airey, Dylan; Jackson, Steve & Mance, Bill
System: The UNT Digital Library