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open access

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

Description: 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.
open access

The 2019 materials by design roadmap

Description: 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.
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

Description: 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: November 9, 2017
Creator: Sedov, Igor A.; Magsumov, Timur I.; Hart, Erin; Ramirez, Ashley M.; Cheeran, Sarah; Barrera, Maribel et al.
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

Description: 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)
open access

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

Description: 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)
open access

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

Description: Article determines Abraham model L solute descriptors for 174 additional mono-methyl branched alkanes based on published linear-programmed gas chromatographic retention indices.
Date: June 18, 2020
Creator: Liu, Grace; Eddula, Shrika; Jiang, Carina; Huang, Jennifer; Tirumala, Priya; Xu, Angelina et al.
open access

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

Description: 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.
open access

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

Description: 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
open access

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

Description: 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: December 1, 2019
Creator: Poudel, Yuba; Sławińska, Jagoda; Gopal, Priya; Seetharaman, Sairaman; Hennighausen, Zachariah; Kar, Swastik et al.
open access

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

Description: 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
open access

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

Description: 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: unknown
Creator: Munns, Suzanne L.; Owerkowicz, Tomasz; Andrewartha, Sarah J. & Frappell, Peter B.
open access

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

Description: 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.
open access

Acetaldehyde oxidation at elevated pressure

Description: A detailed chemical kinetic model for oxidation of CH3CHO at intermediate to high temperature and elevated pressure has been developed and evaluated by comparing predictions to novel high-pressure flow reactor experiments as well as shock tube ignition delay measurements and jet-stirred reactor data from literature. The flow reactor experiments were conducted with a slightly lean CH3CHO/O2 mixture highly diluted in N2 at 600–900 K and pressures of 25 and 100 bar. This is the accepted manuscript… more
Date: April 10, 2021
Creator: Hashemi, Hamid; Christensen, Jakob M.; Marshall, Paul & Glarborg, Peter
open access

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

Description: 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.
open access

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

Description: 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
open access

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

Description: 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.
open access

Activation of an S6 Kinase From Human Placenta by Autophosphorylation

Description: 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.
open access

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

Description: 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
open access

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

Description: 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.
open access

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

Description: 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.
open access

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

Description: 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.
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