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Re-examination of the N2O+O reaction
This article is about how the reaction of N20 with O is a key step in consumption of nitrous oxide in thermal processes. In the present work ,the authors re-examined a wide range of experiments relevant for the N2O+O reaction through kinetic modeling, paying attention to the impact of artifacts such as impurities and surface reactions.
Date:
July 27, 2023
Creator:
Glarborg, Peter; Allingham, Johanne S.; Skov, Alexander B.; Hashemi, Hamid & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Reactions of hydrazine with the amidogen radical and atomic hydrogen
Article describes how the rate coefficient k1 for NH2 + N2H4 was measured to be (5.4 Ā± 0.4) Ć 10ā14 cm3 moleculeā1 sā1 at 296 K. The authors then describe how a combination of experiment and theory leads to a recommended rate coefficient for hydrogen abstraction of k1 = 6.3 Ć 10ā23 T3.44 exp(+289 K/T) cm3 moleculeā1 sā1.
Date:
June 7, 2023
Creator:
Gao, Yide; Alecu, I. M.; Hashemi, Hamid; Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Probing High-Temperature Amine Chemistry: Is the Reaction NH3 + NH2 ā N2H3 + H2 Important?
Article describes how the reaction NH3 + NH2 ā N2H3 + H2 (R1) has been identified as a key step to explain experimental results for pyrolysis and oxidation of ammonia. In the present work, the reaction was studied by ab initio theory and by reinterpretation of experimental data.
Date:
March 14, 2023
Creator:
Marshall, Paul & Glarborg, Peter
Object Type:
Article
System:
The UNT Digital Library
Re-evaluation of rate constants for the reaction N2H4 (+ M) ā NH2 + NH2 (+ M)
Article describes how rate constants for the dissociation/recombination reaction N2H4 (+ M) ā NH2 + NH2 (+ M) are determined by a combination of quantum-chemical calculations and statistical unimolecular rate theory. Implications of the present re-evaluated rate constants for the modeling of high temperature ammonia oxidation kinetics are discussed, showing an only small influence of their precise values on the overall properties of the process.
Date:
October 4, 2023
Creator:
Cobos, Carlos J.; Glarborg, Peter; Marshall, Paul & Troe, JĆ¼rgen
Object Type:
Article
System:
The UNT Digital Library
Measurement of the Intramolecular Hydrogen-Shift Rate Coefficient for the CH3SCH2OO Radical Between 314 and 433 K
Article describes how the intramolecular hydrogen-shift rate coefficient of the CH3SCH2O2 (methylthiomethylperoxy, MSP) radical, a product formed in the oxidation of dimethyl sulfide (DMS), was measured using a pulsed laser photolysis flow tube reactor coupled to a high-resolution time-of-flight chemical ionization mass spectrometer that measured the formation of the DMS degradation end product HOOCH2SCHO. Measurements performed over the temperature range of 314ā433 K yielded a hydrogen-shift rate coefficient of k1(T) = (2.39 Ā± 0.7) Ć 109 exp(ā(7278 Ā± 99)/T) sā1 Arrhenius expression and a value extrapolated to 298 K of 0.06 sā1.
Date:
March 2, 2023
Creator:
Assaf, Emmanuel; Finewax, Zachary; Marshall, Paul; Veres, Patrick R.; Neuman, Andrew & Burkholder, James B. (James Bart), 1954-
Object Type:
Article
System:
The UNT Digital Library
Experimental and Modeling Study of Water Time Histories during H2S-N2O Combustion in a Shock Tube
Article describes how, in the present study, the water formation was followed by laser absorption with N2O as an oxidant, instead of O2. Three H2S/N2O mixtures diluted in 98% Ar were studied to cover the following range of equivalence ratios: 0.5, 1.0, and 2.0, over a wide range of temperatures (1580ā1940 K) around atmospheric pressure.
Date:
June 7, 2023
Creator:
Cooper, Sean P.; Marshall, Paul; Mathieu, Olivier; PinzĆ³n, Laura T.; Mulvihill, Clayton R. & Glarborg, Peter
Object Type:
Article
System:
The UNT Digital Library
Computational study of the gas-phase reactions of sulfuric acid with OH(Ī J), O(3PJ), Cl(2P) and O(1D2) radicals
This article is about how rate coefficients for reactions of H2SO4 with OH, O(3P) and Cl radicals over 160ā298 K were estimated computationally. The authors propose kOH = 8.5 Ć 10-14 exp(-50 K/T), kO = 1.1 Ć 10-12 exp(-5012 K/T) and kCl = 3.1 Ć 10-9 exp(-3314 K/T) cm3 molecule-1 sā1.
Date:
December 27, 2021
Creator:
Marshall, Paul & Burkholder, James B. (James Bart), 1954-
Object Type:
Article
System:
The UNT Digital Library
Conference: Dynamical Systems and Fractal Geometry
Data management plan for the grant, "Conference: Dynamical Systems and Fractal Geometry."
Date:
2024-04-15/2025-03-31
Creator:
Allaart, Pieter C.
Object Type:
Text
System:
The UNT Digital Library
CAS: Highly Interacting Panchromatic Push-Pull Systems: Symmetry Breaking and Quantum Coherence in Electron Transfer
Data management plan for the grant, "CAS: Highly Interacting Panchromatic Push-Pull Systems: Symmetry Breaking and Quantum Coherence in Electron Transfer."
Date:
2024-04-01/2027-03-31
Creator:
Wang, Hong
Object Type:
Text
System:
The UNT Digital Library
Differential effects of soil conservation practices on arthropods and crop yields
Article describes how many agricultural management tactics, such as reduced tillage, aim to promote biodiversity and ecosystem services. Authors assessed how soil tillage and landscape context affected arthropod biodiversity and crop yield in canola crop fields.
Date:
October 31, 2023
Creator:
Lichtenberg, Elinor M.; MilosavljeviÄ, Ivan; Campbell, Alistair J. & Crowder, David W.
Object Type:
Article
System:
The UNT Digital Library
Dry blood spot samples to monitor immune-associated mRNA expression in intervention studies: Impact of Baker's yeast beta glucan
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.
Date:
September 22, 2023
Creator:
McFarlin, Brian K.; Bridgeman, Elizabeth A.; Vingren, Jakob L. & Will, David W.
Object Type:
Article
System:
The UNT Digital Library
The exact consistency strength of the generic absoluteness for the universally Baire sets
Article describes how a set of reals is universally Baire if all of its continuous preimages in topological spaces have the Baire property. The authors show that over some mild large cardinal theory, sealing is equiconsistent with LSA-over-uB.
Date:
January 18, 2023
Creator:
Sargsyan, Grigor & Trang, Nam
Object Type:
Article
System:
The UNT Digital Library
The formation channels of multiphase gas in nearby early-type galaxies
Article describes how the processes responsible for the assembly of cold and warm gas in early-type galaxies (ETGs) are not well understood. The authors report on the multiwavelength properties of 15 non-central, nearby ETGs primary through Multi-Unit Spectroscopic Explorer (MUSE) and Chandra X-ray observations, to address the origin of their multiphase gas.
Date:
October 21, 2023
Creator:
Eskenasy, Ryan; Olivares, Valeria; Su, Yuanyuan & Li, Yuan
Object Type:
Article
System:
The UNT Digital Library
ARKENSTONE ā I. A novel method for robustly capturing high specific energy outflows in cosmological simulations
Article describes how ARKENSTONE is a new model for multiphase, stellar feedback-driven galactic winds designed for inclusion in coarse resolution cosmological simulations. In this first paper of a series, the authors describe the features that allow ARKENSTONE to properly treat high specific energy wind components and demonstrate them using idealized non-cosmological simulations of a galaxy with a realistic circumgalactic medium (CGM) using the AREPO code.
Date:
October 17, 2023
Creator:
Smith, Matthew C.; Fielding, Drummond B.; Bryan, Greg L.; Kim, Chang-Goo; Ostriker, Eve C.; Somerville, Rachel S. et al.
Object Type:
Article
System:
The UNT Digital Library
Influence of Tools and Cutting Strategy on Milling Conditions and Quality of Horizontal Thin-Wall Structures of Titanium Alloy Ti6Al4V
Article describes how titanium and nickel alloys are used in the creation of components exposed to harsh and variable operating conditions. The authors state that a search is underway for cutting parameters that will minimize the vibration while meeting the quality requirements.
Date:
December 18, 2023
Creator:
Kurpiel, Szymon; Cudok, Bartosz; ZagĆ³rski, Krzysztof; CieÅlik, Jacek; Skrzypkowski, Krzysztof & Brostow, Witold, 1934-
Object Type:
Article
System:
The UNT Digital Library
A multiscale approach reveals elaborate circulatory system and intermittent heartbeat in velvet worms (Onychophora)
Article describes how an antagonistic hemolymph-muscular system is essential for soft-bodied invertebrates. The authors analyzed the entire circulatory system of the peripatopsid Euperipatoides rowelli and claimed they discovered a surprisingly elaborate organization.
Date:
April 28, 2023
Creator:
Jahn, Henry; Hammel, Jƶrg U.; Gƶpel, Torben; Wirkner, Christian S. & Mayer, Georg
Object Type:
Article
System:
The UNT Digital Library
Neuron Navigator 1 (Nav1) regulates the response to cocaine in mice
Article describes how genetic variation accounts for much of the risk for developing a substance use disorder, but the underlying genetic factors and their genetic effector mechanisms are mostly unknown. To test their genetic hypothesis, the authors generated and characterized Nav1 knockout mice.
Date:
October 18, 2023
Creator:
Bagley, Jared R.; Tan, Yalun; Zhu, Wan; Cheng, Zhuanfen; Takeda, Saori; Fang, Zhouqing et al.
Object Type:
Article
System:
The UNT Digital Library
Role of microRNAs and their downstream target transcription factors in zebrafish thrombopoiesis
Article describes how previous studies have shown that human platelets and megakaryocytes carry microRNAs suggesting their role in platelet function and megakaryocyte development. In their laboratory, the authors identified 15 microRNAs in thrombocytes using single-cell RNA sequencing.
Date:
September 26, 2023
Creator:
Qaryoute, Ayah Al; Fallatah, Weam; Dhinoja, Sanchi; Raman, Revathi & Jagadeeswaran, Pudur
Object Type:
Article
System:
The UNT Digital Library
Complexity synchronization: a measure of interaction between the brain, heart and lungs
Authors of the article address the measurable consequences of the network effect (NE) on time series generated by different parts of the brain, heart, and lung organ-networks (ONs), which are directly related to their inter-network and intra-network interactions. The authors assert that these same physiologic ONs have been shown to generate crucial event (CE) time series, and herein are shown ,using modified diffusion entropy analysis (MDEA) to have scaling indices with quasiperiodic changes in complexity, as measured by scaling indices, over time.
Date:
July 15, 2023
Creator:
Mahmoodi, Korosh; Kerick, Scott E.; Grigolini, Paolo; Franaszczuk, Piotr J. & West, Bruce J.
Object Type:
Article
System:
The UNT Digital Library
Two legume fatty acid amide hydrolase isoforms with distinct preferences for microbial- and plant-derived acylamides
Article describes how analysis of FAAHs from multiple angiosperm species, which revealed two conserved phylogenetic groups that differed in key conserved residues in the substrate binding pocket. The authors combined computational and biochemical approaches to compare the structural and enzymatic properties of two FAAH isoforms in the legume Medicago truncatula designated MtFAAH1 MtFAAH2a.
Date:
May 9, 2023
Creator:
Arias-Gaguancela, Omar; Herrell, Emily; Aziz, Mina & Chapman, Kent Dean
Object Type:
Article
System:
The UNT Digital Library
A globally synthesized and flagged bee occurrence dataset and cleaning workflow
Article describes how species occurrence data is foundational for research, conservation, and science communication, but the limited availability and accessibility of reliable data represents a major obstacle, particularly for insects, which face mounting pressures. The authors harmonized species names, country names, and collection dates and, we added record-level flags for a series of potential quality issues.
Date:
November 2, 2023
Creator:
Dorey, James B.; Fischer, Erica E.; Chesshire, Paige R.; Nava-BolaƱos, Angela; O'Reilly, Robert L.; Bossert, Silas et al.
Object Type:
Article
System:
The UNT Digital Library
Shared metadata for data-centric materials science
Article describes how the expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. The authors mainly focus on computational materials-science data and propose a constructive approach for the FAIRification of the (meta)data related to ground-state and excited-states calculations, potential-energy sampling, and generalized workflows.
Date:
September 14, 2023
Creator:
Ghiringhelli, Luca M.; Baldauf, Carsten; Bereau, Tristan; Brockhauser, Sandor; Carbogno, Chistian; Chamanara, Javad et al.
Object Type:
Article
System:
The UNT Digital Library
A general large-scale synthesis approach for crystalline porous materials
Article describes how crystalline porous materials such as covalent organic frameworks (COFs) metal-organic frameworks (MOFs) and porous organic changes (POCs) have been widely applied in various fields with outstanding performances. In this work, the authors developed a general approach comprising high pressure homogenization (HPH), which can realize large-scale synthesis of crystalline porous materials including COFs, MOFs, and POCs under benign conditions.
Date:
November 2, 2023
Creator:
Liu, Xiongli; Wang, An; Wang, Chunping; Li, Jinli; Zhang, Zhiyuan; Al-Enizi, Abdullah M. et al.
Object Type:
Article
System:
The UNT Digital Library
An unconventional proanthocyanidin pathway in maize
Article describes that proanthocyanidins (PAs), flavonoid polymers involved in plant defense, are also beneficial to human health and ruminant nutrition. The authors explore whether there is a functional PA biosynthesis pathway in maize using a combination of analytical chemistry and genetic approaches.
Date:
July 19, 2023
Creator:
Lu, Nan; Jun, Ji Hyung; Li, Ying & Dixon, R. A.
Object Type:
Article
System:
The UNT Digital Library