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
Parental stressor exposure simultaneously conveys both adaptive and maladaptive larval phenotypes through epigenetic inheritance in the zebrafish (Danio rerio) (open access)

Parental stressor exposure simultaneously conveys both adaptive and maladaptive larval phenotypes through epigenetic inheritance in the zebrafish (Danio rerio)

This article is a study using crude oil as an example of an environmental stressor in adult zebrafish. The offspring obtained were then assessed for transgenerational epigenetic transfer of oil-induced phenotypes. The authors conclude that epigenetic transgenerational inheritance can lead to an immediate and simultaneous inheritance of both beneficial and maladaptive traits in a large proportion of the F1 larvae. The adaptive responses may help fish populations survive when facing transient environmental stressors.
Date: September 5, 2019
Creator: Bautista, Naim M. & Burggren, Warren W.
System: The UNT Digital Library
Phenotypic Switching Resulting From Developmental Plasticity: Fixed or Reversible? (open access)

Phenotypic Switching Resulting From Developmental Plasticity: Fixed or Reversible?

Article explores the question of whether animals with switched phenotypes during early development are unable to return to a normal range of adult phenotypes, or whether they do not experience the specific environmental conditions necessary for them to switch back to the normal range of adult phenotypes.
Date: January 21, 2020
Creator: Burggren, Warren W.
System: The UNT Digital Library
Prioritizing riparian corridors for ecosystem restoration in urbanizing watersheds (open access)

Prioritizing riparian corridors for ecosystem restoration in urbanizing watersheds

This article explores restoration, rather than protection, being the basis for developing a watershed level strategy for improving water quality in urbanizing watersheds.This study uses a geographical information system (GIS) approach that utilizes riparian characteristics extracted from 40-meter wide corridors centered on streams and rivers. The model was applied to 90 sub-watersheds in the watershed of an important drinking water reservoir in north central Texas, USA.
Date: February 4, 2020
Creator: Atkinson, Samuel F. & Lake, Matthew C.
System: The UNT Digital Library
Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K (open access)

Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K

Article presenting the calculation of the vapour pressure of organic molecules at 298.15 K using a commonly applicable computer algorithm based on the group-additivity method. The standard entropy of vaporization ΔS°vap has been determined and compared with experimental data of 1129 molecules, exhibiting excellent conformance with a correlation coefficient R2 of 0.9598, a standard error σ of 8.14 J/mol/K and a medium absolute deviation of 4.68%.
Date: February 17, 2021
Creator: Naef, Rudolf & Acree, William E. (William Eugene)
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
System: The UNT Digital Library
Natural variation and improved genome annotation of the emerging biofuel crop field pennycress (open access)

Natural variation and improved genome annotation of the emerging biofuel crop field pennycress

Article describing pennycress genome annotation improvements using a combination of long- and short-read transcriptome data obtained from RNA derived from embryos of 22 accessions, in addition to public genome and gene expression information.
Date: April 13, 2022
Creator: García Navarrete, Tatiana; Arias, Cintia Lucía; Mukundi, Eric; Alonso, Ana Paula & Grotewold, Erich
System: The UNT Digital Library
Experimental and Modeling Study of Water Time Histories during H2S-N2O Combustion in a Shock Tube (open access)

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 (1580–1940 K) around atmospheric pressure.
Date: June 7, 2023
Creator: Cooper, Sean P.; Marshall, Paul; Mathieu, Olivier; Pinzón, Laura T.; Mulvihill, Clayton R. & Glarborg, Peter
System: The UNT Digital Library
Evaluation of the Vibration Signal during Milling Vertical Thin-Walled Structures from Aerospace Materials (open access)

Evaluation of the Vibration Signal during Milling Vertical Thin-Walled Structures from Aerospace Materials

Article describes how the main functions of thin-walled structures are to reduce the weight of the finished product and to increase the rigidity of the structure. The authors compared the vibration signal for different approaches to machining thin walled-components with vertical walls made of Ti6AI4V titanium alloy and Inconel 625 nickel alloy.
Date: July 14, 2023
Creator: Kurpiel, Szymon; Zagrórski, Krzysztof; Skryzpkowski, Krzysztof & Brostow, Witold, 1934-
System: The UNT Digital Library
Large-Scale Synthesis of Covalent Organic Frameworks: Challenges and Opportunities (open access)

Large-Scale Synthesis of Covalent Organic Frameworks: Challenges and Opportunities

Article describes how connecting organic building blocks by covalent bonds to design porous crystalline networks has led to covalent organic frameworks (COFs), consequently transferring the flexibility of dynamic linkages from discrete architectures to extended structures. Authors state that this review article highlights the fundamental of COFs, including designing principles, coupling reactions, topologies, structural diversity, synthetic strategies, characterization, growth mechanism, and activation aspects of COFs.
Date: July 27, 2023
Creator: Vardhan, Harsh; Rummer, Grace; Deng, Angela & Ma, Shengqian
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 (open access)

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; Zagórski, Krzysztof; Cieślik, Jacek; Skrzypkowski, Krzysztof & Brostow, Witold, 1934-
System: The UNT Digital Library