Resource Type

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
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
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
Elucidating the role of negative parenting in the genetic v. environmental influences on adult psychopathic traits (open access)

Elucidating the role of negative parenting in the genetic v. environmental influences on adult psychopathic traits

Article states that though adult psychopathic traits emerge from both genetic and environmental risk, no studies have examined etiologic associations between adult psychopathic traits and experiences of parenting in childhood, or the extent to which parenting practices may impact the heritability of adult psychopathic traits using a genetically-informed design. Utilizing a genetically-informed design, the authors found that both genetic and non-shared environmental factors contribute to the emergence of psychopathic traits.
Date: August 12, 2021
Creator: Dotterer, Hailey L.; Vazquez, Alexandra Y.; Hyde, Luke W.; Neumann, Craig S.; Santtila, Pekka; Pezzoli, Patrizia et al.
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
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
Weakly Aligned Molecules: From Molecular Detectors to Room-Temperature Tunable Masers (open access)

Weakly Aligned Molecules: From Molecular Detectors to Room-Temperature Tunable Masers

Conference proceeding presenting a new mechanism of manipulation of population in molecular rotational levels in a weakly aligned molecules. Originally presented as an invited talk at the 29th International Laser Physics Workshop held July 19-23, 2021.
Date: July 23, 2021
Creator: Roy, Colin D.; Branković, Zorica & Rostovtsev, Yuri V.
System: The UNT Digital Library
Solubility, Correlation, Dissolution Thermodynamics and Preferential Solvation of Meloxicam in Aqueous Mixtures of 2-Propanol (open access)

Solubility, Correlation, Dissolution Thermodynamics and Preferential Solvation of Meloxicam in Aqueous Mixtures of 2-Propanol

Article studying solid-liquid equilibrium of meloxicam in {2-propanol + water} mixtures at several temperatures as a contribution to preformulation studies of homogeneous liquid pharmaceutical dosage forms based on this drug.
Date: May 18, 2021
Creator: Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
System: The UNT Digital Library
Optimization of the Observing Cadence for the Rubin Observatory Legacy Survey of Space and Time: A Pioneering Process of Community-focused Experimental Design (open access)

Optimization of the Observing Cadence for the Rubin Observatory Legacy Survey of Space and Time: A Pioneering Process of Community-focused Experimental Design

This article is part of a Focus Issue on the topic of Rubin LSST Survey Strategy Optimization. The motivation, history, and decision-making process of the observing strategy optimization are detailed, giving context to the science-driven proposals and recommendations for the survey strategy included in this Focus Issue.
Date: December 22, 2021
Creator: Bianco, Federica B.; Ivezić, Željko; Jones, R. Lynne; Graham, Melissa L.; Marshall, Phil; Saha, Abhijit et al.
System: The UNT Digital Library
Henry’s law constants (IUPAC Recommendations 2021) (open access)

Henry’s law constants (IUPAC Recommendations 2021)

Article presenting a consistent set of recommendations to express the proportionality coefficient, “Henry’s law constant” of Henry's law.
Date: December 13, 2021
Creator: Sander, Rolf; Acree, William E. (William Eugene); De Visscher, Alex; Schwartz, Stephen E. & Wallington, Timothy J.
System: The UNT Digital Library
The allometric propagation of COVID-19 is explained by human travel (open access)

The allometric propagation of COVID-19 is explained by human travel

Article develops an allometric model capable of fitting the initial phase of the COVID-19 pandemic and predicting the propagation of the illness for up to 100 days.
Date: December 18, 2021
Creator: Tuladhar, Rohisha; Grigolini, Paolo & Santamaria, Fidel
System: The UNT Digital Library
Ice imaging in aircraft anti-icing fluid films using polarized light (open access)

Ice imaging in aircraft anti-icing fluid films using polarized light

Article presents how to enhance ice contrast in the visible spectrum by using ice birefringence and polarized light reflection. The method can be used for both visual inspection and automatic ice detection systems.
Date: December 13, 2021
Creator: Grishaev, Viktor G.; Usachev, Igor A.; Drachev, Vladimir P.; Gattarov, Ramil K.; Rudenko, Nadezhda I.; Amirfazli, Alidad et al.
System: The UNT Digital Library
Calculation of Abraham Model L-Descriptor and Standard Molar Enthalpies of Vaporization for Linear C7-C14 Alkynes From Gas Chromatographic Retention Index Data (open access)

Calculation of Abraham Model L-Descriptor and Standard Molar Enthalpies of Vaporization for Linear C7-C14 Alkynes From Gas Chromatographic Retention Index Data

Article determines Abraham model L solute descriptors for an additional 33 linear C7-C14 alkynes based on published gas chromatographic retention indices for solutes eluted from capillary columns coated with squalane and apiezon L stationary phases.
Date: 2021
Creator: Shanmugam, Neel; Eddula, Shrika; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
System: The UNT Digital Library
LDIP cooperates with SEIPIN and LDAP to facilitate lipid droplet biogenesis in Arabidopsis (open access)

LDIP cooperates with SEIPIN and LDAP to facilitate lipid droplet biogenesis in Arabidopsis

Article showing that a recently identified protein termed LD-associated protein [LDAP]-interacting protein (LDIP) works together with both endoplasmic reticulum-localized SEIPIN and the LD-coat protein LDAP to facilitate LD formation in Arabidopsis thaliana. The data is discussed in the context of a new model for LD biogenesis in plant cells with evolutionary connections to LD biogenesis in other eukaryotes.
Date: June 9, 2021
Creator: Pyc, Michal; Gidda, Satinder K.; Seay, Damien C.; Esnay, Nicolas; Kretzschmar, Franziska K.; Cai, Yingqi et al.
System: The UNT Digital Library
Form and Function of the Vertebrate and Invertebrate Blood-Brain Barriers (open access)

Form and Function of the Vertebrate and Invertebrate Blood-Brain Barriers

Article reviewing blood-brain barriers (BBBs) in their various forms in both invertebrates and vertebrates, with an emphasis on the function, evolution, and conditional relevance of popular animal models such as the fruit fly and the zebrafish to mammalian BBB research.
Date: November 9, 2021
Creator: Dunton, Alicia D.; Göpel, Torben; Ho, Dao H. & Burggren, Warren W.
System: The UNT Digital Library
Re-engineering Plant Phenylpropanoid Metabolism With the Aid of Synthetic Biosensors (open access)

Re-engineering Plant Phenylpropanoid Metabolism With the Aid of Synthetic Biosensors

Article that provides a brief overview of current research on synthetic biology and metabolic engineering approaches to control phenylpropanoid synthesis and phenylpropanoid-related biosensors, advocating for the use of biosensors and genetic circuits as a step forward in plant synthetic biology to develop autonomously-controlled phenylpropanoid-producing plant biofactories.
Date: September 16, 2021
Creator: Ferreira, Savio S. & Antunes, Mauricio S.
System: The UNT Digital Library
Editorial: Microbial C1 Metabolism and Biotechnology (open access)

Editorial: Microbial C1 Metabolism and Biotechnology

This article is an editorial on the research topic Microbial C1 Metabolism and Biotechnology. This special topic presents studies focused on the fundamental aspects of C1 metabolism in diverse microbial systems with the ability to convert anthropogenic greenhouse gases into valuable products.
Date: August 27, 2021
Creator: Xiong, Wei; Kalyuzhnaya, Marina G. & Henard, Calvin
System: The UNT Digital Library
Crucial Development: Criticality Is Important to Cell-to-Cell Communication and Information Transfer in Living Systems (open access)

Crucial Development: Criticality Is Important to Cell-to-Cell Communication and Information Transfer in Living Systems

This article is the fourth paper of the Special Issue Memory and Criticality. It bridges the the theoretical debate on the role of memory and criticality discussed in the three earlier manuscripts, with a review of key concepts in biology and focus on cell-to-cell communication in organismal development. The authors suggest that in conjunction with morphogenetic gradients, there exist gradients of information transfer creating cybernetic loops of stability and disorder, setting the stage for adaptive capability. Criticality, therefore, appears to be an important factor in the transmission, transfer and coding of information for complex adaptive system development.
Date: August 31, 2021
Creator: Hunt von Herbing, Ione; Tonello, Lucio; Benfatto, Maurizio; Pease, April & Grigolini, Paolo
System: The UNT Digital Library
Role of ribosomal RNA released from red cells in blood coagulation in zebrafish and humans (open access)

Role of ribosomal RNA released from red cells in blood coagulation in zebrafish and humans

This article identifies that an rRNA released in hemolysis activates clotting in human and zebrafish plasma. Furthermore, it shows that fish Hgfac plays a role in rRNA-mediated activation of coagulation.
Date: November 17, 2021
Creator: Alharbi, Abdulmajeed; Iyer, Neha; Al Qaryoute, Ayah; Raman, Revathi; Burks, David J.; Azad, Rajeev K. et al.
System: The UNT Digital Library
Ribulose-1,5-Bisphosphate Carboxylase/Oxygenase (RubisCO) Is Essential for Growth of the Methanotroph Methylococcus capsulatus Strain Bath (open access)

Ribulose-1,5-Bisphosphate Carboxylase/Oxygenase (RubisCO) Is Essential for Growth of the Methanotroph Methylococcus capsulatus Strain Bath

This article demonstrates that shows both CO2 and RubisCO are essential for M. capsulatus Bath growth. CO2 tracing experiments supported that RubisCO mediates CO2 fixation and that a noncanonical Calvin cycle is active in this organism. The study provides insights into the expanding knowledge of methanotroph metabolism and implicates dually CH4/CO2-utilizing bacteria as more important players in the biogeochemical carbon cycle than previously appreciated. In addition, M. capsulatus and other methanotrophs with CO2 assimilation capacity represent candidate organisms for the development of biotechnologies to mitigate the two most abundant greenhouse gases, CH4 and CO2.
Date: August 26, 2021
Creator: Henard, Calvin; Wu, Chao; Xiong, Wei; Henard, Jessica M.; Davidheiser-Kroll, Brett; Orata, Fabini D. et al.
System: The UNT Digital Library