4-Coumarate 3-hydroxylase in the lignin biosynthesis pathway is a cytosolic ascorbate peroxidase (open access)

4-Coumarate 3-hydroxylase in the lignin biosynthesis pathway is a cytosolic ascorbate peroxidase

Article describes an enzyme catalyzing the direct 3-hydroxylation of 4-coumarate to caffeate in lignin biosynthesis as a bifunctional peroxidase that oxidizes both ascorbate and 4-coumarate at comparable rates.
Date: April 30, 2019
Creator: Barros, Jaime; Escamilla-Treviño, Luis; Song, Luhua; Rao, Xiaolan; Serrani-Yarce, Juan Carlos; Docampo-Palacios, Maite et al.
System: The UNT Digital Library
Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water (open access)

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Article presents a rigorous and systematic study of the band alignment of semiconductors in aqueous solutions by contrasting a range of hybrid explicit/implicit models against explicit atomistic simulations based on density-functional theory.
Date: October 11, 2019
Creator: Hörmann, Nicolas; Guo, Zhendong; Ambrosio, Francesco; Andreussi, Oliviero; Pasquarello, Alfredo & Marzari, Nicola
System: The UNT Digital Library
Absorption and emission modulation in a MoS2–GaN (0001) heterostructure by interface phonon–exciton coupling (open access)

Absorption and emission modulation in a MoS2–GaN (0001) heterostructure by interface phonon–exciton coupling

Article reporting the change in the transient absorption characteristics of monolayer MoS2 and the modified PL emission characteristics in a monolayer MoS2–GaN (0001) heterostructure due to the coupling of carriers with the phonon modes and the energy exchange at the interface. The results demonstrate the relevance of interface coupling between the semiconductors for the development of optical and electronic applications.
Date: September 26, 2019
Creator: Poudel, Yuba; Sławińska, Jagoda; Gopal, Priya; Seetharaman, Sairaman; Hennighausen, Zachariah; Kar, Swastik et al.
System: The UNT Digital Library
AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids (open access)

AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids

Article introducing the quasiharmonic approximation three-phonon method to calculate the thermodynamic properties of both nonmetallic and metallic compounds. This study demonstrates that QHA3P is an ideal framework for the high-throughput prediction of finite-temperature material properties, combining the accuracy of QHA with the computational efficiency of SC-QHA.
Date: July 8, 2019
Creator: Nath, Pinku; Usanmaz, Demet; Hicks, David; Oses, Corey; Fornari, Marco; Buongiorno Nardelli, Marco et al.
System: The UNT Digital Library
All-acoustic signal modulation and logic operation via defect induced cavity effects in phononic crystal coupled-resonator acoustic waveguides (open access)

All-acoustic signal modulation and logic operation via defect induced cavity effects in phononic crystal coupled-resonator acoustic waveguides

Article describes experiment where a coupled resonant acoustic waveguide (CRAW) in a phononic crystal (PnC) was engineered to manipulate the propagation of ultrasonic waves within a conventional phononic bandgap for wavelength division multiplexing.
Date: November 6, 2019
Creator: Reyes, Delfino; Walker, Ezekiel; Zubov, Yurii; Heo, Hyeonu; Krokhin, Arkadii A. & Neogi, Arup
System: The UNT Digital Library
Altered expression of ionotropic L-Glutamate receptors in aged sensory neurons of Aplysia californica (open access)

Altered expression of ionotropic L-Glutamate receptors in aged sensory neurons of Aplysia californica

Article describes study in which mRNA expression of iGluR was quantified in two sensory neuron clusters of two cohorts of Aplysia californica (Aplysia) at both sexual maturity (~8 months) and advanced age (~12 months) in order to examine if changes in ionotropic L-Glu receptor (iGluR) transcription underlie reduced physiology8
Date: May 23, 2019
Creator: Greer, Justin B.; Mager, Edward M. & Fieber, Lynne A.
System: The UNT Digital Library
Altitudinal gradients in Magellanic sub-Antarctic lagoons: the effect of elevation on freshwater macroinvertebrate diversity and distribution (open access)

Altitudinal gradients in Magellanic sub-Antarctic lagoons: the effect of elevation on freshwater macroinvertebrate diversity and distribution

In this article, freshwater macroinvertebrate diversity associated with lakes and ponds along the altitudinal gradient of a Magellanic sub-Antarctic watershed are assessed. A monotonic decline in species richness was observed with increasing elevation, with simpler and more even community composition at higher altitude. This pattern differs from the mid-peak trend found in streams of the same watershed. Functional feeding group structure also diminished with increasing elevation.
Date: July 29, 2019
Creator: Rendoll Cárcamo, Javier; Contador, Tamara; Gañán, Melisa; Pérez Troncoso, Carolina; Maldonado Márquez, Alan; Convey, Peter et al.
System: The UNT Digital Library
Amplification of photoacoustic effect in bimodal polymer particles by self-quenching of indocyanine green (open access)

Amplification of photoacoustic effect in bimodal polymer particles by self-quenching of indocyanine green

This article presents a new type of bimodal contrast agent that is based on the self-quenching of indocyanine green (ICG) encapsulated in a biocompatible and biodegradable polymer shell.
Date: August 23, 2019
Creator: Mokrousov, Maksim D.; Novoselova, Marina V.; Nolan, Jackie; Harrington, Walter; Rudakovskaya, Polina; Bratashov, Daniil N. et al.
System: The UNT Digital Library
The Arabidopsis PAD4 Lipase-Like Domain Is Sufficient for Resistance to Green Peach Aphid (open access)

The Arabidopsis PAD4 Lipase-Like Domain Is Sufficient for Resistance to Green Peach Aphid

Article exploring PAD4 functions in plant defense by expressing the N-terminal PAD4 lipase-like domain (PAD4ᴸᴸᴰ) without its C-terminal EDS1-PAD4 (EP) domain. The authors show that transgenic expression of PAD4ᴸᴸᴰ in Arabidopsis is sufficient for limiting GPA infestation but not for conferring basal and effector-triggered pathogen immunity. This suggests that the C-terminal PAD4 EP domain is necessary for EDS1-dependent immune functions but is dispensable for aphid resistance. Moreover, PAD4ᴸᴸᴰ is not sufficient to interact with EDS1, indicating the PAD4-EP domain is required for stable heterodimerization. These data provide molecular evidence that PAD4 has domain-specific functions.
Date: December 27, 2019
Creator: Dongus, Joram A.; Bhandari, Deepak D.; Patel, Monika; Archer, Lani; Dijkgraaf, Lucas; Shah, Jyoti et al.
System: The UNT Digital Library

Artificially structured boundary plasma trap

This article presents a computer simulation of single-species non-neutral plasma confinement using an artificially structured boundary. The results support the prospect of developing plasma space-charge based confinement, with an unmagnetized plasma of one species of charged particles confined by an electric field produced by an edge-confined plasma of a second species of charged particles.
Date: September 20, 2019
Creator: Hedlof, R. M. & Ordonez, Carlos A.
System: The UNT Digital Library
Atomic layer deposition of BN as a novel capping barrier for B2O3 (open access)

Atomic layer deposition of BN as a novel capping barrier for B2O3

Article demonstrating in situ deposition of BN by sequential BCl₃/NH₃ reactions at 600 K on two different oxidized boron substrates: (a) B₂O₃ deposited using BCl₃/H₂O ALD on Si at 300 K (“B₂O₃/Si”) and (b) a boron-silicon oxide formed by sequential BCl₃/O₂ reactions at 650 K on SiO₂ followed by annealing to 1000 K (“B-Si-oxide”). The data presented demonstrates that ultrathin BN films deposited by BCl₃/NH₃ ALD are promising candidates for passivation of boron oxide used in shallow doping applications.
Date: June 5, 2019
Creator: Kelber, Jeffry A.; Pilli, Aparna; Jones, Jessica; Chugh, Natasha; Pasquale, Frank & LaVoie, Adrien
System: The UNT Digital Library
Atomic layer deposition of h-BN(0001) multilayers on Ni(111) and chemical vapor deposition of graphene on h-BN(0001)/Ni(111) (open access)

Atomic layer deposition of h-BN(0001) multilayers on Ni(111) and chemical vapor deposition of graphene on h-BN(0001)/Ni(111)

Article studying atomic layer deposition. In situ direct, epitaxial growth of multilayers of hexagonal boron nitride (h-BN) and graphene without physical transfer is of significant interest for the scalable production of graphene/h-BN heterostructures for device applications. Deposition on magnetic substrates is of particular interest for spin tunneling applications. X-ray photoelectron spectroscopy and low energy electron diffraction demonstrate epitaxial atomic-layer deposition (ALD) of multilayer h-BN(0001) on Ni(111) and subsequent deposition of azimuthally-aligned multilayer graphene on h-BN(0001)/Ni(111) by chemical vapor deposition. Boron nitride ALD was accomplished with alternating cycles of BCl₃/NH₃ at a 600 K substrate temperature, and subsequent annealing in ultrahigh vacuum. Subsequent deposition of graphene was achieved by chemical vapor deposition using ethylene (CH₂CH₂) at 1000 K.
Date: September 17, 2019
Creator: Kelber, Jeffry A.; Jones, Jessica; Pilli, Aparna; Lee, Veronica; Beatty, John; Beauclair, Brock et al.
System: The UNT Digital Library
Celebrating 20 Years of Genetic Discoveries in Legume Nodulation and Symbiotic Nitrogen Fixation (open access)

Celebrating 20 Years of Genetic Discoveries in Legume Nodulation and Symbiotic Nitrogen Fixation

This article is a review cataloging and contextualizing all of the plant genes currently known to be required for SNF in two model legume species, Medicago truncatula and Lotus japonicus, and two crop species, Glycine max (soybean) and Phaseolus vulgaris (common bean). The authors also briefly consider the future of SNF genetics in the era of pan-genomics and genome editing.
Date: October 24, 2019
Creator: Roy, Sonali; Liu, Wei; Nandety, Raja Sekhar; Crook, Ashley; Mysore, Kirankumar S.; Pislariu, Catalina I. et al.
System: The UNT Digital Library
Classical trajectory Monte Carlo simulation of plasma fueling using magnetic plasma expulsion (open access)

Classical trajectory Monte Carlo simulation of plasma fueling using magnetic plasma expulsion

Article describes a study exploring the possibility of fueling a magnetically confined plasma using particle sources located inside of the plasma.
Date: July 11, 2019
Creator: Martinez, Armando & Ordonez, Carlos A.
System: The UNT Digital Library
A Combined Metabolomics and Fluxomics Analysis Identifies Steps Limiting Oil Synthesis in Maize Embryos (open access)

A Combined Metabolomics and Fluxomics Analysis Identifies Steps Limiting Oil Synthesis in Maize Embryos

Article comparing the metabolism of embryos from two different maize lines, Alex and LH59, to test the hypothesis that directly changing their carbon metabolism may be the key to increasing oil content in maize kernels without affecting yield.
Date: September 17, 2019
Creator: Alonso, Ana Paula; Cocuron, Jean-Christophe; Koubaa, Mohamed; Kimmelfield, Rebecca & Ross, Zacchary
System: The UNT Digital Library
Combining loss of function of FOLYLPOLYGLUTAMATE SYNTHETASE1 and CAFFEOYL-COA 3-O-METHYLTRANSFERASE1 for lignin reduction and improved saccharification efficiency in Arabidopsis thaliana (open access)

Combining loss of function of FOLYLPOLYGLUTAMATE SYNTHETASE1 and CAFFEOYL-COA 3-O-METHYLTRANSFERASE1 for lignin reduction and improved saccharification efficiency in Arabidopsis thaliana

This article tests if lignin content can be further reduced by combining genetic mutations in C1 metabolism and the lignin biosynthetic pathway by generating and functionally characterizing fpgs1ccoaomt1 double mutants. The observations demonstrate that additional reduction in lignin content and improved sugar release can be achieved by simultaneous downregulation of a gene in the C1 (FPGS1) and lignin biosynthetic (CCOAOMT) pathways.
Date: December 31, 2018
Creator: Xie, Hongli; Engle, Nancy L.; Venketachalam, Sivasankari; Yoo, Chang Geun; Barros, Jaime; Lecoultre, Mitch et al.
System: The UNT Digital Library
Combining loss of function of FOLYLPOLYGLUTAMATE SYNTHETASE1 and CAFFEOYL-COA 3-O-METHYLTRANSFERASE1 for lignin reduction and improved saccharification efficiency in Arabidopsis thaliana (open access)

Combining loss of function of FOLYLPOLYGLUTAMATE SYNTHETASE1 and CAFFEOYL-COA 3-O-METHYLTRANSFERASE1 for lignin reduction and improved saccharification efficiency in Arabidopsis thaliana

Article describes study in which fpgs1ccoaomt1 double mutants were generated and functionally characterized in order to test if lignin content can be further reduced by combining genetic mutations in C1 metabolism and the lignin biosynthetic pathway.
Date: May 3, 2019
Creator: Xie, Hongli; Engle, Nancy L.; Venketachalam, Sivasankari; Yoo, Chang Geun; Barros, Jaime; Lecoultre, Mitch et al.
System: The UNT Digital Library
Comments on “What if Cocrystallization Fails for Neutral Molecules? Screening Offered Eutectics as Alternate Pharmaceutical Materials: Leflunomide-A Case Study” (open access)

Comments on “What if Cocrystallization Fails for Neutral Molecules? Screening Offered Eutectics as Alternate Pharmaceutical Materials: Leflunomide-A Case Study”

Features commentary on the previously published article "What if Cocrystallization Fails for Neutral Molecules? Screening Offered Eutectics as Alternate Pharmaceutical Materials: Leflunomide-A Case Study”
Date: December 2019
Creator: Acree, William E. (William Eugene) & Jouyban, Abolghasem
System: The UNT Digital Library
Computational Study of 3d Metals and Their Influence on the Acidity of Methane C–H Bonds (open access)

Computational Study of 3d Metals and Their Influence on the Acidity of Methane C–H Bonds

Article describes experiment where CCSD(T) methods in conjunction with correlation consistent basis sets were used to predict the pKa for the deprotonation of methane in a 3d metal ion adduct, [M···CH4]+ (M = Sc–Cu), in dimethyl sulfoxide solvent, which is modeled by the SMD continuum solvent model.
Date: November 19, 2019
Creator: Zhou, Christopher X. & Cundari, Thomas R., 1964-
System: The UNT Digital Library

Concentric cone antihydrogen gravity experiment

This article describes a proposed antihydrogen gravity experiment that could be conducted at the CERN Antiproton Decelerator facility to determine the directionality of the acceleration of antihydrogen in earth’s gravitational field.
Date: October 2, 2019
Creator: Patel, S. S.; Sun, S. R. & Ordonez, Carlos A.
System: The UNT Digital Library
Coordination corrected ab initio formation enthalpies (open access)

Coordination corrected ab initio formation enthalpies

Article proposes the “coordination corrected enthalpies” method (CCE), based on the number of nearest neighbor cation–anion bonds, and also capable of correcting relative stability of polymorphs.
Date: May 15, 2019
Creator: Friedrich, Rico; Usanmaz, Demet; Oses, Corey; Supka, Andrew; Fornari, Marco; Buongiorno Nardelli, Marco et al.
System: The UNT Digital Library
Correction to: Multiple levers for overcoming the recalcitrance of lignocellulosic biomass (open access)

Correction to: Multiple levers for overcoming the recalcitrance of lignocellulosic biomass

Correction to the previously published article "Multiple levers for overcoming the recalcitrance of lignocellulosic biomass".
Date: February 9, 2019
Creator: Holwerda, Evert; Worthen, Robert; Kothari, Ninad; Lasky, Ronald; Davison, Brian H. (Brian Henry), 1957-; Fu, Chunxiang et al.
System: The UNT Digital Library
Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar) (open access)

Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar)

Article presenting cc-pV(n+d)Z correlation consistent basis sets of double- through quintuple-ζ quality for the atoms Al-Ar that have been modified for use with density functional theory (DFT). These basis set modifications include truncation of high-angular momentum basis functions, recontraction of the s- and p-functions, and reoptimization of basis function exponents with generalized gradient approximation and hybrid-DFT functionals. The effects of basis set truncation, recontraction, and reoptimization are shown to improve convergence behavior in atomic energies as well as dissociation energies and enthalpies of formation.
Date: June 8, 2019
Creator: Mahler, Andrew; Determan, John J. & Wilson, Angela K.
System: The UNT Digital Library
Corrigendum: The Differences Between Malate Dehydrogenase Malic Enzymes and Nicotinamide Adenine Dinucleotide Phosphate Malic Enzymes Subtypes of C₄ Photosynthesis: More Than Decarboxylating Enzymes (open access)

Corrigendum: The Differences Between Malate Dehydrogenase Malic Enzymes and Nicotinamide Adenine Dinucleotide Phosphate Malic Enzymes Subtypes of C₄ Photosynthesis: More Than Decarboxylating Enzymes

This is a correction of a previously released article. A mistake was found in Figure 2 of the published work. The names of the cell types, “mesophyll cell” and “bundle sheath” were erroneously interchanged.
Date: March 8, 2019
Creator: Rao, Xiaolan & Dixon, R. A.
System: The UNT Digital Library