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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.
Object Type: Article
System: The UNT Digital Library
The 2019 materials by design roadmap (open access)

The 2019 materials by design roadmap

This roadmap article presents an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed.
Date: October 24, 2018
Creator: Alberi, Kirstin; Buongiorno Nardelli, Marco; Zakutayev, Andriy; Mitas, Lubos; Curtarolo, Stefano; Jain, Anubhav et al.
Object Type: Article
System: The UNT Digital Library

Ab Initio Calculations and Kinetic Modeling of Thermal Conversion of Methyl Chloride: Implications for Gasification of Biomass

This article investigates the thermal conversion of CH₃Cl.
Date: November 8, 2017
Creator: Singla, Mellika; Rasmussen, Morten Lund; Hashemi, Hamid; Wu, Hao; Glarborg, Peter; Pelucchi, Matteo et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Triethylene Glycol Solvent Derived from Infinite Dilution Activity Coefficient, Partition Coefficient and Solubility Data Measured at 298.15 K (open access)

Abraham Model Correlations for Triethylene Glycol Solvent Derived from Infinite Dilution Activity Coefficient, Partition Coefficient and Solubility Data Measured at 298.15 K

This article describes the use of a gas chromatographic headspace analysis method to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for 29 liquid organic solutes dissolved in triethylene glycol at 298.15 K.
Date: April 27, 2017
Creator: Sedov, Igor A.; Magsumov, Timur I.; Hart, Erin; Ramirez, Ashley M.; Cheeran, Sarah; Barrera, Maribel et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Descriptors for Melatonin; Prediction of Solution, Biological and Thermodynamic Properties (open access)

Abraham Model Descriptors for Melatonin; Prediction of Solution, Biological and Thermodynamic Properties

Article using literature solubilities to obtain properties or descriptors of melatonin.
Date: January 27, 2022
Creator: Liu, Xiangli; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Abraham Solvation Parameter Model: Calculation of L Solute Descriptors for Large C11 to C42 Methylated Alkanes from Measured Gas–Liquid Chromatographic Retention Data (open access)

Abraham Solvation Parameter Model: Calculation of L Solute Descriptors for Large C11 to C42 Methylated Alkanes from Measured Gas–Liquid Chromatographic Retention Data

This article determines Abraham model L solute descriptors for 149 additional C11 to C42 monomethylated and polymethylated alkanes based on published Kovat’s retention indices based upon gas–liquid chromatographic measurements.
Date: July 5, 2022
Creator: Wu, Emily; Sinha, Sneha; Yang, Chelsea; Zhang, Miles & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Abraham Solvation Parameter Model: Examination of Possible Intramolecular Hydrogen-Bonding Using Calculated Solute Descriptors (open access)

Abraham Solvation Parameter Model: Examination of Possible Intramolecular Hydrogen-Bonding Using Calculated Solute Descriptors

This article calculates Abraham model solute descriptors using published solubility data for 4,5-dihydroxyanthraquinone-2-carboxylic acid dissolved in several organic solvents of varying polarity and hydrogen-bonding character.
Date: July 24, 2022
Creator: Sinha, Sneha; Yang, Chelsea; Wu, Emily & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Abraham Solvation Parameter Model: Prediction of Enthalpies of Vaporization and Sublimation of Mono-Methyl Branched Alkanes Using Measured Gas Chromatographic Data (open access)

Abraham Solvation Parameter Model: Prediction of Enthalpies of Vaporization and Sublimation of Mono-Methyl Branched Alkanes Using Measured Gas Chromatographic Data

Article determines Abraham model L solute descriptors for 174 additional mono-methyl branched alkanes based on published linear-programmed gas chromatographic retention indices.
Date: 2020
Creator: Liu, Grace; Eddula, Shrika; Jiang, Carina; Huang, Jennifer; Tirumala, Priya; Xu, Angelina et al.
Object Type: Article
System: The UNT Digital Library
Abscisic acid regulates secondary cell-wall formation and lignin deposition in Arabidopsis thaliana through phosphorylation of NST1 (open access)

Abscisic acid regulates secondary cell-wall formation and lignin deposition in Arabidopsis thaliana through phosphorylation of NST1

Article using a combination of biochemical and genetic approaches to show how ABA can regulate lignin biosynthesis. This work provides a basis for designing trees and other biomass plants that are better adapted to stress and climate change. This article includes a correction on the first page.
Date: February 2, 2021
Creator: Liu, Chang; Yu, Hasi; Rao, Xiaolan; Li, Laigeng & Dixon, R. A.
Object Type: Article
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
Object Type: Article
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.
Object Type: Article
System: The UNT Digital Library
Accelerated reliability testing of Cu-Al bimetallic contact by a micropattern corrosion testing platform for wire bond device application (open access)

Accelerated reliability testing of Cu-Al bimetallic contact by a micropattern corrosion testing platform for wire bond device application

This article presents a novel method of in-situ investigation of the device corrosion process to capture the real time mechanistic information not obtained in standard reliability testing.
Date: March 26, 2021
Creator: Ashok Kumar, Goutham Isaac; Alptekin, John; Caperton, Joshua; Salunke, Ashish & Chyan, Oliver Ming-Ren
Object Type: Article
System: The UNT Digital Library
The accessory role of the diaphragmaticus muscle in lung ventilation in the estuarine crocodile Crocodylus porosus (open access)

The accessory role of the diaphragmaticus muscle in lung ventilation in the estuarine crocodile Crocodylus porosus

This article explores lung ventilation in crocodilians through direct measurements of ventilation, metabolic rate, and arterial blood gases of juvenile estuarine crocodiles in varying conditions. The results suggest that, in C. porosus, costal ventilation alone is able to support metabolic demands at rest, and the diaphragmaticus is largely an accessory muscle used at times of elevated metabolic demand.
Date: November 17, 2011
Creator: Munns, Suzanne L.; Owerkowicz, Tomasz; Andrewartha, Sarah J. & Frappell, Peter B.
Object Type: Article
System: The UNT Digital Library
Accuracy of long-term volunteer water monitoring data: A multiscale analysis from a statewide citizen science program (open access)

Accuracy of long-term volunteer water monitoring data: A multiscale analysis from a statewide citizen science program

Article describes study which assesses the relative accuracy of volunteer water quality data collected by the Texas Stream Team (TST) citizen science program from 1992–2016 across the State of Texas by comparing it to professional data from corresponding stations during the same time period.
Date: January 29, 2020
Creator: Albus, Kelly Hibbeler; Thompson, Rudi; Mitchell, Forrest; Kennedy, James H. & Ponette-González, Alexandra G.
Object Type: Article
System: The UNT Digital Library
Acid-base regulation in the air-breathing swamp eel (Monopterus albus) at different temperatures (open access)

Acid-base regulation in the air-breathing swamp eel (Monopterus albus) at different temperatures

Article describes study in which researchers characterized the influence of temperature on arterial acid–base balance and intracellular pH (pHi) in the bimodal-breathing swamp eel, Monopterus albus.
Date: February 27, 2018
Creator: Thinh, Phan Vinh; Phuong, Nguyen Thanh; Brauner, Colin J.; Huong, Do Thi Thanh; Wood, Andrew T.; Kwan, Garfield T. et al.
Object Type: Article
System: The UNT Digital Library
Acoustic Metasurface-Aided Broadband Noise Reduction in Automobile Induced by Tire-Pavement Interaction (open access)

Acoustic Metasurface-Aided Broadband Noise Reduction in Automobile Induced by Tire-Pavement Interaction

Article demonstrating a technique utilizing acoustic metasurfaces (AMSes) with high reflective characteristics using relatively lightweight materials for noise reduction without any change in mechanical strength or weight of the tire. The proposed design can significantly reduce the noise arising from tire–pavement interaction over a broadband of acoustic frequencies under 1000 Hz and over a wide range of vehicle speeds using a negative effective dynamic mass density approach.
Date: July 30, 2021
Creator: Heo, Hyeonu; Sofield, Matthew; Ju, Jaehyung & Neogi, Arup
Object Type: Article
System: The UNT Digital Library
Activation of an S6/H4 Kinase (PAK 65) from Human Placenta by Intramolecular and Intermolecular Autophosphorylation (open access)

Activation of an S6/H4 Kinase (PAK 65) from Human Placenta by Intramolecular and Intermolecular Autophosphorylation

Article proposing a model in which phosphorylation of sites 1 and 2 occurs sequentially. The model proposes that trypsin treatment of the inactive holoenzyme removes an inhibitory rac-binding domain which blocks MgATP access to the catalytic site. The pseudosubstrate domain at site 1 is autophosphorylated and subsequent bimolecular autophosphorylation at site 2 fully opens the catalytic site.
Date: September 8, 1995
Creator: Benner, Gretchen E.; Dennis, Patrick B. & Masaracchia, Ruthann A.
Object Type: Article
System: The UNT Digital Library
Activation of an S6 Kinase From Human Placenta by Autophosphorylation (open access)

Activation of an S6 Kinase From Human Placenta by Autophosphorylation

Article describing a novel S6 kinase isolated from human placenta which autoactivates through autophosphorylation in vitro. The data supports the hypothesis that this previously uncharacterized S6 kinase belongs to a unique family of protein kinases which utilize autophosphorylation as part of their in vivo activation mechanism.
Date: September 15, 1993
Creator: Dennis, Patrick B. & Masaracchia, Ruthann A.
Object Type: Article
System: The UNT Digital Library
N-acylethanolamide metabolizing enzymes are upregulated in human neural progenitor-derived neurons exposed to sub-lethal oxidative stress (open access)

N-acylethanolamide metabolizing enzymes are upregulated in human neural progenitor-derived neurons exposed to sub-lethal oxidative stress

Article is a study determining whether ReN cells, a superior cell model system for studying neurodevelopment, differentiation, and neuroprotection, express proteins involved in canonical eCB NAE signaling and whether oxidative stress can induce their expression. This study is a first step toward determining how oxidative stress affects CB1, CB2, FAAH, NAAA, and NAPE-PLD expression and their potential defense against oxidative stress.
Date: August 8, 2022
Creator: Duncan, Scott R.; Riordan, Sean M.; Hall, Conner W.; Payne, Andrew J.; Chapman, Kent Dean & Koulen, Peter
Object Type: Article
System: The UNT Digital Library
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.
Object Type: Article
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.
Object Type: Article
System: The UNT Digital Library
Aggregation-induced phosphorescence sensitization in two heptanuclear and decanuclear gold–silver sandwich clusters (open access)

Aggregation-induced phosphorescence sensitization in two heptanuclear and decanuclear gold–silver sandwich clusters

This article obtains two few-atom heterometallic gold–silver hepta-/decanuclear clusters, denoted Au₆Ag and Au₉Ag, and determines their structures by X-ray diffraction and mass spectrometry.
Date: October 30, 2020
Creator: Lu, Zhou; Yang, Yu-Jie; Ni, Wen-Xiu; Li, Mian; Zhao, Yifang; Huang, Yong-Liang et al.
Object Type: Article
System: The UNT Digital Library
Agronomic Performance and Lignin Content of HCT Down-Regulated Alfalfa (Medicago sativa L.) (open access)

Agronomic Performance and Lignin Content of HCT Down-Regulated Alfalfa (Medicago sativa L.)

This article evaluates HCT down-regulated alfalfa plants for their forage composition and agronomic performance in the greenhouse and under field conditions.
Date: May 5, 2018
Creator: Bhattarai, Kishor; Rajasekar, Shanmugam; Dixon, R. A. & Monteros, Maria J.
Object Type: Article
System: The UNT Digital Library
Air pollution and endocrine disruptors induce human microbiome imbalances: A systematic review of recent evidence and possible biological mechanisms (open access)

Air pollution and endocrine disruptors induce human microbiome imbalances: A systematic review of recent evidence and possible biological mechanisms

Article presents a systematic review examining the scientific evidence on the effect of environmental toxicants, air pollutants and endocrine disruptors (EDCs), on compositional and diversity of human microbiota.
Date: February 11, 2022
Creator: Mousavi, Sayed Esmaeil; Delgado-Saborit, Juana Maria; Adivi, Anna; Pauwels, Sara & Godderis, Lode
Object Type: Article
System: The UNT Digital Library