Resource Type
Partner
Degree Department
Degree Discipline
Degree Level
81 Matching Results
Results open in a new window/tab.
Results:
1 - 24 of
81
next
Comment on ‘Extremely rapid self-reactions of hydrochlorofluoromethanes and hydrochlorofluoroethanes and implications in destruction of ozone’
Article comments on the claims made by the authors of the original article. The authors of the commentary note flaws in the DFT-based methodology and the commentators describe differences between their application and the original article's described application.
Date:
May 26, 2022
Creator:
Marshall, Paul & Burkholder, James B. (James Bart), 1954-
Object Type:
Article
System:
The UNT Digital Library
Subcellular localization of fungal specialized metabolites
Article discusses how fungal specialized metabolites play an important role in the environment and have impacted human health and survival significantly. This review illustrates the biosynthesis of specialized metabolites where the localization of all, or some, of the biosynthetic enzymes have been determined and describes the methods used to identify the sub-cellular localization.
Date:
May 25, 2022
Creator:
Skellam, Elizabeth
Object Type:
Article
System:
The UNT Digital Library
Biosynthesis of 6-Hydroxymellein Requires a Collaborating Polyketide Synthase-like Enzyme
This article investigates a new architecture for iterative Type I polyketide synthases (PKS) from fungi.
Date:
May 10, 2021
Creator:
Kahlert, Lukas; Villanueva, Miranda; Cox, Russell J. & Skellam, Elizabeth
Object Type:
Article
System:
The UNT Digital Library
Temperature dependent rate coefficients for the gas-phase OH + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction
Authors of the article assert that rate coefficients, k1(T), for the gas-phase reaction of the OH radical with Furan-2,5-dione (maleic anhydride (MA), C4H2O3), a biomass burning related compound, were measured under pseudo first-order conditions in OH using the pulsed laser photolysis - laser induced fluorescence method over a range of temperature and bath gas pressure. Their results are compared with a previous room temperature relative rate study of the OH + MA reaction and significant discrepancy between the studies is discussed. This is the accepted manuscript version of the published article.
Date:
May 30, 2020
Creator:
Chattopadhyay, Aparajeo; Papadimitriou, Vassileios C.; Marshall, Paul & Burkholder, James B. (James Bart), 1954-
Object Type:
Article
System:
The UNT Digital Library
Role of quantum confinement and interlayer coupling in CrI3-graphene magnetic tunnel junctions
Article presents a combination of first principles and quantum ballistic transport calculations to shed important insights from an atomistic viewpoint on the underlying mechanisms governing spin transport in graphene/ CrI₃ junctions.
Date:
May 29, 2020
Creator:
Buongiorno Nardelli, Marco; Heath, Jonathan J.; Costa, Marcio & Kuroda, Marcelo A.
Object Type:
Article
System:
The UNT Digital Library
Sc3N@Ih-C80 based donor–acceptor conjugate: role of thiophene spacer in promoting ultrafast excited state charge separation
Article reports light induced charge separation in a newly synthesized triphenylamine–thiophene-Sc₃N@Iₕ-C₈₀ donor–acceptor conjugate and its C₆₀ analog, triphenylamine–thiophene-C₆₀ conjugate, and the significance of the thiophene spacer in promoting electron transfer events.
Date:
May 27, 2020
Creator:
Gobeze, Habtom B.; D'Souza, Francis; Caballero, Rubén; Servián, Luis David; Fernandez-Delgado, Olivia; Echegoyen, Luis et al.
Object Type:
Article
System:
The UNT Digital Library
Electrocatalytic proton-reduction behaviour of telluride-capped triiron clusters: tuning of overpotentials and stabilization of redox states relative to lighter chalcogenide analogues
Article investigating the utility of the non-biological element tellurium as a replacement for the widely biologically-utilized lighter chalcogenides sulfur and selenium in the realm of proton-reduction catalysis.
Date:
May 14, 2020
Creator:
Hrovat, David A.; Richmond, Michael G.; Rahaman, Ahibur; Lisensky, George C.; Browder-Long, Jess; Nordlander, Ebbe et al.
Object Type:
Article
System:
The UNT Digital Library
Climate Metrics for C1–C4 Hydrofluorocarbons (HFCs)
This article looks at hydrofluorocarbons (HFCs) which are potent greenhouse gases that are potential substitutes for ozone depleting substances. The Kigali amendment lists 17 HFCs that are currently in commercial use to be regulated under the Montreal Protocol. Future commercial applications may explore the use of other HFCs, most of which currently lack an evaluation of their climate metrics. In this work, atmospheric lifetimes, radiative efficiencies (REs), global warming potentials (GWPs), and global temperature change potentials (GTPs) for all saturated HFCs with fewer than 5 carbon atoms are estimated to help guide future usage and policy decisions.
Date:
May 11, 2020
Creator:
Burkholder, James B. (James Bart), 1954-; Marshall, Paul; Bera, Partha P.; Francisco, Joseph S. & Lee, Timothy J.
Object Type:
Article
System:
The UNT Digital Library
Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors
Article describes study demonstrating that solute hydrogen bond acidity, solute hydrogen bond basicity and solute volume all lower the diffusion constants of ions and nonelectrolytes in the various solvents studied.
Date:
May 21, 2019
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Coordination corrected ab initio formation enthalpies
Article proposes the “coordination corrected enthalpies” method (CCE), based on the number of nearest neighbor cation–anion bonds, and also capable of correcting relative stability of polymorphs.
Date:
May 15, 2019
Creator:
Friedrich, Rico; Usanmaz, Demet; Oses, Corey; Supka, Andrew; Fornari, Marco; Buongiorno Nardelli, Marco et al.
Object Type:
Article
System:
The UNT Digital Library
Generation of transgenic zebrafish with 2 populations of RFP- and GFP-labeled thrombocytes: analysis of their lipids
Article analyzing the lipids in transgenic zebrafish. Separating RFP+ and GFP+ thrombocytes from the GloFli fish developed here led to the analysis of their lipid composition.DiI-labeled liposomes with similar PE and PC concentrations found in RFP+ thrombocytes explained DiI labeling of thrombocytes.
Date:
July 23, 2018
Creator:
Fallatah, Weam; De Silva, Imesha W.; Verbeck, Guido F. & Jagadeeswaran, Pudur
Object Type:
Article
System:
The UNT Digital Library
Descriptors for Cyclooctasulfur: Estimation of Water−Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties
This article uses literature data on the solubility of cyclooctasulfur in a number of solvents to drive Abraham descriptors for cyclooctasulfur.
Date:
May 21, 2018
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method
This article presents the calculation of the surface tension of ordinary organic and ionic liquids, based on a computer algorithm applying a refined group-additivity method.
Date:
April 16, 2018
Creator:
Naef, Rudolf
Object Type:
Article
System:
The UNT Digital Library
Determination of Asymmetric Dimethylarginine by Using Organic Semiconductor-Based Molecularly Imprinted Polymer Film
This article describes simple, fast and cheap procedure of Asymmetric dimethylarginine (ADMA) determination using a new chemosensor with an artificial recognition unit.
Date:
May 17, 2018
Creator:
Malyshev, Valerii; Michota-Kamińska, Agnieszka; Shao, Shuai; D'Souza, Francis & Noworyta, K.
Object Type:
Article
System:
The UNT Digital Library
Global Warming Potential Estimates for the C₁–C₃ Hydrochlorofluorocarbons (HCFCs) Included in the Kigali Amendment to the Montreal Protocol
This article reports global warming potentials (GWPs) for all C₁-C₃ hydrochlorofluorocarbons (HCFCs) based on estimated atmospheric lifetimes and theoretical methods used to calculate infrared absorption spectra.
Date:
May 4, 2018
Creator:
Papanastasiou, Dimitrios K.; Beltrone, Allison; Marshall, Paul & Burkholder, James B. (James Bart), 1954-
Object Type:
Article
System:
The UNT Digital Library
Further Calculations on Solubility of 2-Chloro-3-(Trifluoromethyl)Pyridine in Ethanol + 1-Propanol Solvent Mixtures at Various Temperatures
This article reports on the reanalysis of reported calculations on solubility data of 2-chloro-3-(trifluoromethyl)pyridine in binary ethanol + 1-propanol solvent mixtures at various temperatures, and several additional points regarding the correlations.
Date:
May 25, 2017
Creator:
Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Commentary on "Correlation of solubility of hexamethylene-1,6-bisthiosulphate disodium salt dihydrate versus dielectric constants of water + ethanol mixtures"
This article discusses the finding that Apelblat model equation coefficients are found to give calculated mole fractions that exceed unity for the solubility of hexamethylene-1,6-bisthiosulphate disodium salt dihydrate dissolved in binary aqueous-ethanol solvent mixtures.
Date:
May 19, 2017
Creator:
Acree, William E. (William Eugene) & Yang, Chunhui
Object Type:
Article
System:
The UNT Digital Library
Ammonia Oxidation at High Pressure and Intermediate Temperatures
This article describes ammonia oxidation experiments conducted at high pressure (30 bar and 100 bar) under oxidizing and stoichiometric conditions, respectively, and temperatures ranging from 450 to 925 K.
Date:
May 10, 2016
Creator:
Song, Yu; Hashemi, Hamid; Christensen, Jakob Munkholt; Zou, Chun; Marshall, Paul & Glarborg, Peter
Object Type:
Article
System:
The UNT Digital Library
Some numerical analyses on the solubility of vanillin in Carbitol® + water solvent mixtures
This article reports solubility values of vanillin (component 3) in 2-(2-ethoxyethoxy)ethanol (Carbitol®, component 1) + water (component 2) mixtures at five temperatures from 298.15 to 318.15 K correlated with the Jouyban-Acree model combined with van't Hoff or Apelblat equations, and obtains models in second degree regarding the mixtures compositions.
Date:
May 25, 2015
Creator:
Martínez, Fleming; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry
This article uses the relativistic-pseudopotential correlation consistent approach (rp-ccCA) to determine the enthalpy of formation of 24 first row (3d) transition metal compounds.
Date:
May 22, 2015
Creator:
Manivasagam, Sindhu; Laury, Marie L. & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
5-Cyano-1,3-phenylene diacetate
This article discusses 5-cyano-1,3-phenylene diacetate.
Date:
May 24, 2014
Creator:
Abbassi, Bahar; Brumfield, Michela; Jones, Lloyd M.; Nesterov, Vladimir N. & Carr, Andrew J.
Object Type:
Article
System:
The UNT Digital Library
On the Solubility of Quercetin
Article discussing the solubility of quercetin. The authors have applied a methodology based on linear free energy equations for water-solvent and gas-solvent partitions to study solubilities.
Date:
May 15, 2014
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Effects of Sulfur on Fuel Nitrogen Conversion in Combustion
Undergraduate thesis on the emission of atmospheric pollutants. The pollutants focused on are NO and NO₂. The author discusses the influence of sulfur on NO emission using computational chemistry.
Date:
May 12, 2014
Creator:
Moukambi, Odreille Mapaka
Object Type:
Thesis or Dissertation
System:
The UNT Digital Library
Infinite Dilution Activity Coefficients of Solutes Dissolved in Two Trihexyl(tetradecyl)phosphonium ionic liquids
Article discussing infinite dilution activity coefficients of solutes dissolved in two trihexyl(tetradecyl)phosphonium ionic liquids.
Date:
May 7, 2014
Creator:
Mutelet, Fabrice; Alonso, Dominique; Stephens, Timothy W.; Acree, William E. (William Eugene) & Baker, Gary A.
Object Type:
Article
System:
The UNT Digital Library