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.

Article reports an ab initio computational study of the optical dielectric properties of Silicon telluride (Si2Te3) using the GW approximation and the Bethe-Salpeter equation (BSE).

Data management plan for the grant, "Approximation Theory and Complex Dynamics." This project involves the study of approximation theory in the setting of complex functions, with applications to complex dynamics. Approximation theory seeks to understand the extent to which the behavior of a general function can be effectively modeled by that of functions drawn from a more restricted class. Efficient approximation of functions is of relevance for numerical calculation. Since the only calculations that can be carried out numerically are the elementary operations of addition, subtraction, multiplication, and division, in practical terms it is of importance to understand when the values of general functions are well approximated by the values of either polynomial or rational functions. In many situations, the values of the approximant resemble those of the general function only for a sampling of input values. What can be said about values of the approximant for other choices of input? This is the main question studied in this project, with the following application in mind: when a general function is iterated to produce a dynamical system, to what extent does the dynamical behavior of an approximant resemble the dynamical behavior of the original function? The project will also contribute …

Article describes an efficient strategy for designing charge-transfer complexes using coinage metal cyclic trinuclear complexes (CTCs).

Data management plan for the grant, "Building a Team for EXtragalactic AStrophysics (TEXAS) in the Dallas-Fort Worth Metroplex". The project will build a new partnership between the University of North Texas (UNT), an R1 Minority-Serving Institution (MSI)/ Hispanic-Serving Institution (HSI), and the University of Texas at Dallas (UTD). During the pilot phase, the team will establish a post-baccalaureate bridge program and organize monthly colloquia and annual symposia to broaden the participation of underrepresented groups in astronomy.

Data management plan for the grant, "CAREER: Modeling the Evolution of Massive Galaxies with Enzo-E."

Data management plan for the grant, "Collaborative Research: A Systematic and Comprehensive Study of Black Hole-Driven Turbulence in Massive Galactic Systems." This research team has developed a technique to measure gas turbulence in systems hosting giant central black holes and will directly evaluate the viability of this mechanism using a large sample of galaxies. This project will deliver a more complete view of the “feedback” provided by accreting SMBHs, leading to a better understanding of the black hole-host galaxy relation. More specifically, it will directly probe the energetics of the intra-cluster, circum-galactic, and interstellar media of massive early-type galaxies.

Data management plan for the grant, "Collaborative Research: PIC: Slow Wave Enhanced Electrooptically Tuned Michelson Interferometer Biosensor for On-Chip Polarization Interferometry."

Article describes the Streptomyces sanglieri bacteriophages AxeJC, Cumberbatch, Eastland,Eklok, HFrancette, Ignacio, Piccadilly, and Vondra form a novel actinobacteriophage cluster,BP. These siphoviruses have circularly permuted genomes with an average size of 37,700 bp and a GC content of 71%. Each genome contains approximately 58 protein-coding genes, with no tRNAs.

Article explores experimental walking synchronization and complexity restoration. The main goal is to establish a physiological foundation of these important results based on the recent advances on the dynamics of the brain, interpreted as a system at criticality.

Data management plan for the grant, "Complexity Synchronization: Information Transmission among Complex Systems."

Article describes how the transdisciplinary nature of science as a whole became evident as the necessity for the complex nature of phenomena to explain social and life science, along with the physical sciences, blossomed into complexity theory and most recently into complexitysynchronization. The authors use the scaling of empirical datasets from the brain, cardiovascular and respiratory networks to support the hypothesis that complexity synchronization occurs between scaling indices or equivalently with the matching of the time dependencies of the networks' multifractal dimensions.

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.

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.

Article describes how monitoring immunological response to physical stressors in a field setting is challenging because existing methods require a laboratory visit and traditional blood collection via venipuncture. The purpose of this study was to determine if our optimized dry blood spot (DBS) methodology yields sufficient total RNA to quantify the effect of Baker's Yeast Beta Glucan supplementation on post-exercise mRNA expression.

Article describes how the Tirilman spaces were introduced by Casazza and Shura as variations of the spaces constructed by Tzafriri. We prove that all subsymmetric basic sequences in the dual space are equivalent to its canonical subsymmetic but not symmetric basis.

Data management plan for the grant, "Encapsulated perovskite in NiO nanotube for topological meta-photonic devices." Research studying meta-photonic devices with high absorption and topological photonic devices using encapsulated perovskites in NiO nanotubes. The goal is to achieve high-efficiency solar cells and electrically pumped laser in perovskite/NiO nanotubes patterned in the graded photonic super-crystal. The success of this project will lead to high-efficiency integrated lasers and solar cell devices. It also enhances the abilities in the education arena by enriching program offerings in nanotechnology, clean-energy, and photonics technology.

Article describes how kudzu produces both O- and C-glycosylated isoflavones, with puerarin (C-glucosyl daidzein) as an important bioactive compound. The authors go on to explain how expression of recombinant UGTs in Escherichia coli and candidate C-glycosyltransferases in Medicago truncatula were used to explore substrate specificities, and gene silencing of UGT and key isoflavone biosynthetic genes in kudzu hairy roots employed to test hypotheses concerning the substrate(s) for C-glycosylation.

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.

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.

Data management plan for the grant, "Exploring thermal properties of nanoscale wide bandgap semiconductors via ultrafast thermal-emission spectroscopy." In this project, we aim to develop a new thermometrology technique based on ultrafast thermal emission to directly and accurately measure thermal properties of thin-film wide bandgap semiconductors.

Article develops a double divergent process for the reaction of α-enaminones with quinones through facile manipulation of catalyst and additive, leading to structurally completely different products.

Article describes how the selective removal of the β-emitting pertechnetate ion (99TcO4−) from nuclear waste streams is technically challenging. In this article, a practical approach is proposed for the selective removal of 99TcO4− (or its surrogate ReO4−) under extreme conditions of high acidity, alkalinity, ionic strength, and radiation field.

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.