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Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Standard Heat of Combustion and Formation of Organic Molecules (open access)

Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Standard Heat of Combustion and Formation of Organic Molecules

Article presenting the calculation of the heats of combustion ΔH°c and formation ΔH°f of organic molecules at standard conditions using a commonly applicable computer algorithm based on the group-additivity method. This work is a continuation and extension of an earlier publication.
Date: October 10, 2021
Creator: Naef, Rudolf & Acree, William E. (William Eugene)
System: The UNT Digital Library
Survival, Growth, and Development in the Early Stages of the Tropical Gar Atractosteus tropicus: Developmental Critical Windows and the Influence of Temperature, Salinity, and Oxygen Availability (open access)

Survival, Growth, and Development in the Early Stages of the Tropical Gar Atractosteus tropicus: Developmental Critical Windows and the Influence of Temperature, Salinity, and Oxygen Availability

This article uses embryos and larvae of Atractosteus tropicus as a model to study fish survival, growth, and development as a function of temperature, salinity, and air saturation during developmental periods. Results suggest identifiable critical windows of development in the early ontogeny of A. tropicus and contribute to the knowledge of fish larval ecology and the interactions of individuals × stressors × time of exposure.
Date: February 12, 2021
Creator: Martínez, Gill; Peña, Emyr; Martínez, Rafael; Camarillo, Susana; Burggren, Warren W. & Álvarez, Alfonso
System: The UNT Digital Library
The mitochondrial localized CISD-3.1/CISD-3.2 proteins are required to maintain normal germline structure and function in Caenorhabditis elegans (open access)

The mitochondrial localized CISD-3.1/CISD-3.2 proteins are required to maintain normal germline structure and function in Caenorhabditis elegans

Article isolating the cisd-3.2(pnIs68) mutant that resulted in physiological and fitness defects including germline abnormalities that are associated with abnormal stem cell niche and disrupted formation of bivalent chromosomes. Results further support the idea that the CISD protein family is required for mitochondrial function that supports important functions in animals including overall fitness and germline viability.
Date: February 5, 2021
Creator: King, Skylar D.; Gray, Chipo F.; Song, Luhua; Mittler, Ron & Padilla, Pamela A.
System: The UNT Digital Library
Theory-Based Failure Modes and Effect Analysis for Medication Errors (open access)

Theory-Based Failure Modes and Effect Analysis for Medication Errors

This article presents a hybrid decision-making approach to assigning different weights to risk factors and considering the uncertainty in the ranking process in the Failure Modes and Effect Analysis (FMEA) technique. Findings highlight improper medication administration as the main failure mode, which can result in a fatality or patient injury and the utilization of multiple-criteria decision-making methods in combination with Z-number as a useful tool in the healthcare management field.
Date: April 1, 2021
Creator: Ghoushchi, Saeid Jafarzadeh; Dorosti, Shadi; Ab Rahman, Mohd Nizam; Khakifirooz, Marzieh & Fathi, Mahdi
System: The UNT Digital Library
Turning turtle: scaling relationships and self-righting ability in Chelydra serpentina (open access)

Turning turtle: scaling relationships and self-righting ability in Chelydra serpentina

Article investigating how shell morphology, neck length and self-righting biomechanics scale with body mass during ontogeny in Chelydra serpentina, which uses neck-powered self-righting.
Date: March 3, 2021
Creator: Ruhr, Ilan M.; Rose, Kayleigh A. R.; Sellers, William I.; Crossley, Dane A., II & Codd, Jonathan R.
System: The UNT Digital Library
A cytoskeletal function for PBRM1 reading methylated microtubules (open access)

A cytoskeletal function for PBRM1 reading methylated microtubules

This article shows that that the coordinated read-write activity of the epigenetic machinery extends to the cytoskeleton, with PBRM1 in the PBAF chromatin remodeling complex reading microtubule methyl marks written by the SETD2 histone methyltransferase. This article opens a previously unknown window into how chromatin remodeler defects can drive disease via both epigenetic and cytoskeletal dysfunction.
Date: April 2, 2021
Creator: Karki, Menuka; Jangid, Rahul K.; Anish, Ramakrishnan; Seervai, Riyad N. H.; Bertocchio, Jean-Phillipe; Hotta, Takashi et al.
System: The UNT Digital Library
Structural Modeling and in planta Complementation Studies Link Mutated Residues of the Medicago truncatula Nitrate Transporter NPF1.7 to Functionality in Root Nodules (open access)

Structural Modeling and in planta Complementation Studies Link Mutated Residues of the Medicago truncatula Nitrate Transporter NPF1.7 to Functionality in Root Nodules

This article combines in silico structural predictions with in planta complementation of the severely defective mtnip-1 mutant plants to understand the role of a series of distinct amino acids in the transporter’s function. The findings add to the knowledge of the mechanism of alternative conformational changes as well as symport transport in NPFs and enhance knowledge of the mechanisms for nitrate signaling.
Date: July 1, 2021
Creator: Yu, Yao-Chuan; Dickstein, Rebecca & Longo, Antonella
System: The UNT Digital Library
Investigating the Use of Metadata Record Graphs to Analyze Subject Headings in the Digital Public Library of America (open access)

Investigating the Use of Metadata Record Graphs to Analyze Subject Headings in the Digital Public Library of America

Article discussing network analysis of aggregated subject values in the Digital Public Library of America (DPLA), with a discussion of how format normalization could affect subject overlap across collections.
Date: November 4, 2021
Creator: Phillips, Mark Edward & Tarver, Hannah
System: The UNT Digital Library
Dietary Polyphenol and Methylsulfonylmethane Supplementation Improves Immune, DAMP Signaling, and Inflammatory Responses During Recovery From All-Out Running Efforts (open access)

Dietary Polyphenol and Methylsulfonylmethane Supplementation Improves Immune, DAMP Signaling, and Inflammatory Responses During Recovery From All-Out Running Efforts

This article presents a study with the purpose to determine the effect of dietary supplementation with optimized curcumin, pomegranate ellagitannins, and MSM (R + MSM) on immune-associated mRNA during early recovery (i.e., up to 8 h post-exercise) following all-out running efforts (5-km, 10-km, and 21.1-km). The results demonstrate that supplementation with a combination of optimized curcumin, pomegranate ellagitannins, and methylsulfonylmethane resulted in changes that may improve biological recovery from all-out running efforts.
Date: August 31, 2021
Creator: McFarlin, Brian K.; Hill, David W.; Vingren, Jakob L.; Curtis, John H. & Tanner, Elizabeth A.
System: The UNT Digital Library
Descriptive Complexity in Cantor Series (open access)

Descriptive Complexity in Cantor Series

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.
Date: September 27, 2021
Creator: Airey, Dylan; Jackson, Steve & Mance, Bill
System: The UNT Digital Library
Spatial and temporal localization of SPIRRIG and WAVE/SCAR reveal roles for these proteins in actin-mediated root hair development (open access)

Spatial and temporal localization of SPIRRIG and WAVE/SCAR reveal roles for these proteins in actin-mediated root hair development

Article shows that SPIRRIG (SPI), a beige and Chediak Higashi domain-containing protein involved in membrane trafficking, and BRK1 and SCAR2, subunits of the WAVE/SCAR (W/SC) actin nucleating promoting complex, display polarized localizations in Arabidopsis thaliana root hairs during distinct developmental stages. Authors' work uncovers a role for SPI in facilitating actin-dependent root hair development in Arabidopsis through pathways that might intersect with W/SC.
Date: April 20, 2021
Creator: Chin, Sabrina; Kwon, Taegun; Khan, Bibi Rafeiza; Sparks, J. Alan; Mallery, Eileen L.; Szymanski, Daniel B. et al.
System: The UNT Digital Library
Acetaldehyde oxidation at elevated pressure (open access)

Acetaldehyde oxidation at elevated pressure

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 version of the published article.
Date: April 10, 2021
Creator: Hashemi, Hamid; Christensen, Jakob M.; Marshall, Paul & Glarborg, Peter
System: The UNT Digital Library
Experimental and kinetic modeling study of oxidation of acetonitrile (open access)

Experimental and kinetic modeling study of oxidation of acetonitrile

Article asserts that oxidation of acetonitrile has been studied in a flow reactor in the absence and presence of nitric oxide. A detailed chemical kinetic model for oxidation of acetonitrile was developed, based on a critical evaluation of data from literature. This is the accepted manuscript version of the published article.
Date: April 10, 2021
Creator: Alzueta, María U.; Guerrero, Marta; Millera, Angela; Marshall, Paul & Glarborg, Peter
System: The UNT Digital Library
Selective Noncatalytic Reduction of NOx Using Ammonium Sulfate (open access)

Selective Noncatalytic Reduction of NOx Using Ammonium Sulfate

Article discusses how ammonium sulfate (AS) is of interest as an additive in stationary combustion plants for the simultaneous control of NOx (through selective noncatalytic reduction, SNCR) and deposition and corrosion (through sulfation of alkali chlorides). The results indicated that sulfur from ammonium sulfate is mainly released as SO3, even though SO2 is detected in increasing concentrations at temperatures above 1000 °C. This is the accepted manuscript version of the published article.
Date: July 15, 2021
Creator: Krum, Kristian R. K.; Jensen, Martin; Li, Songgeng; Norman, Thomas; Marshall, Paul; Wu, Hao et al.
System: The UNT Digital Library
Kinetic fall-off behavior for the Cl + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction (open access)

Kinetic fall-off behavior for the Cl + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction

Article discusses how rate coefficients, k, for the gas-phase Cl + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction were measured over the 15–500 torr (He and N2 bath gas) pressure range at temperatures between 283 and 323 K. An atmospheric degradation mechanism for C4H2O3 is proposed based on the observed product yields and theoretical calculations of ring-opening pathways and activation barrier energies at the CBS-QB3 level of theory. This is the accepted manuscript version of the published article.
Date: February 15, 2021
Creator: Chattopadhyay, Aparajeo; Gierczak, Tomasz; Marshall, Paul; Papadimitriou, Vassileios C. & Burkholder, James B. (James Bart), 1954-
System: The UNT Digital Library
New reactions of diazene and related species for modelling combustion of amine fuels (open access)

New reactions of diazene and related species for modelling combustion of amine fuels

Article discusses how potential energy surfaces for reactions involving N2H2 isomers of diazene (diimide) have been explored using density functional theory, with energies based on coupled-cluster theory. A focus is on processes that create or consume these species, and isomerization between the E (trans) and Z (cis) forms of HNNH. This is the accepted manuscript version of the published article.
Date: September 24, 2021
Creator: Marshall, Paul; Rawling, George R. & Glarborg, Peter
System: The UNT Digital Library
Ignition delay times of NH3/DME blends at high pressure and low DME fraction: RCM experiments and simulations (open access)

Ignition delay times of NH3/DME blends at high pressure and low DME fraction: RCM experiments and simulations

Authors of the article describe how autoignition delay times of ammonia/dimethyl ether (NH3/DME) mixtures were measured in a rapid compression machine with DME fractions of 0, 2 and 5 and 100% in the fuel. Analysis of the mechanism indicates that this 'early DME oxidation' generates reactive species that initiate the oxidation of ammonia, which in turn begins heat release that raises the temperature and accelerates the oxidation process towards ignition. This is the accepted manuscript version of the published article.
Date: January 14, 2021
Creator: Dai, Liming; Glarborg, Peter; Gersen, Sander; Marshall, Paul; Mokhov, Anatoli & Levinsky, Howard
System: The UNT Digital Library
Predicting psoriasis using routine laboratory tests with random forest (open access)

Predicting psoriasis using routine laboratory tests with random forest

Article describes how psoriasis is a chronic inflammatory skin disease that affects approximately 125 million people worldwide. The goal of the authors' study is to derive a powerful predictive model for psoriasis disease based on only routine hospital tests.
Date: October 19, 2021
Creator: Zhou, Jing; Li, Yuzhen & Guo, Xuan
System: The UNT Digital Library
Computational study of the gas-phase reactions of sulfuric acid with OH(ΠJ), O(3PJ), Cl(2P) and O(1D2) radicals (open access)

Computational study of the gas-phase reactions of sulfuric acid with OH(ΠJ), 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 160–298 K were estimated computationally. The authors propose kOH = 8.5 × 10-14 exp(-50 K/T), kO = 1.1 × 10-12 exp(-5012 K/T) and kCl = 3.1 × 10-9 exp(-3314 K/T) cm3 molecule-1 s−1.
Date: December 27, 2021
Creator: Marshall, Paul & Burkholder, James B. (James Bart), 1954-
System: The UNT Digital Library