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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
Object Type: Article
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
Object Type: Article
System: The UNT Digital Library
Review—Two Different Multiple Photosynthetic Reaction Centers Using Either Zinc Porphyrinic Oligopeptide-Fulleropyrrolidine or Free-Base Porphyrinic Polypeptide-Li+@C60 Supramolecular Complexes (open access)

Review—Two Different Multiple Photosynthetic Reaction Centers Using Either Zinc Porphyrinic Oligopeptide-Fulleropyrrolidine or Free-Base Porphyrinic Polypeptide-Li+@C60 Supramolecular Complexes

Article presents an overview of two successful examples of photosynthetic reaction center models combined with light-capturing antenna chromophores. This article is part of the JSS Focus Issue on Porphyrins, Phthalocyanines, and Supramolecular Assemblies in Honor of Karl M. Kadish.
Date: August 10, 2020
Creator: D'Souza, Francis; Solladié, Nathalie; Fukuzumi, Shunichi; Ohkubo, Kei; Rein, Régis; Saito, Kenji et al.
Object Type: Article
System: The UNT Digital Library
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)
Object Type: Article
System: The UNT Digital Library
Self-reporting molecularly imprinted polymer with the covalently immobilized ferrocene redox probe for selective electrochemical sensing of p-synephrine (open access)

Self-reporting molecularly imprinted polymer with the covalently immobilized ferrocene redox probe for selective electrochemical sensing of p-synephrine

Article simultaneously imprinting the p-synephrine 1 template and covalently immobilizing a a ferrocene redox probe in a (bis-bithiophene)-based polymer. The resulting molecularly imprinted polymer (MIP) was deposited on the Pt electrode as a thin film to form a redox self-reporting MIP film-based chemosensor.
Date: June 10, 2021
Creator: Lach, Patrycja; Cieplak, Maciej; Noworyta, Krzysztof R.; Pieta, Piotr; Lisowski, Wojciech; Kalecki, Jakub et al.
Object Type: Article
System: The UNT Digital Library
Biosynthesis of 6-Hydroxymellein Requires a Collaborating Polyketide Synthase-like Enzyme (open access)

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
Pyrazinacenes exhibit on-surface oxidation-state-dependent conformational and self-assembly behaviours (open access)

Pyrazinacenes exhibit on-surface oxidation-state-dependent conformational and self-assembly behaviours

This article reports pyrazinacenes containing the dihydro-decaazapentacene and dihydro-octaazatetracene chromophores and compares their properties/functions as a model case at an oxidizing metal substrate.
Date: March 10, 2021
Creator: Miklík, David; Mousavi, S. Fatemeh; Burešová, Zuzana; Middleton, Anna; Matsushita, Yoshitaka; Labuta, J. et al.
Object Type: Article
System: The UNT Digital Library
Self-reporting molecularly imprinted polymer with the covalently immobilized ferrocene redox probe for selective electrochemical sensing of p-synephrine (open access)

Self-reporting molecularly imprinted polymer with the covalently immobilized ferrocene redox probe for selective electrochemical sensing of p-synephrine

This article uses a molecularly imprinted polymer (MIP) to form a redox self-reporting MIP film-based chemosensor applied for p-synephrine determination.
Date: June 10, 2021
Creator: Lach, Patrycja; Cieplak, Maciej; Noworyta, K.; Pieta, Piotr; Lisowski, Wojciech; Kalecki, Jakub et al.
Object Type: Article
System: The UNT Digital Library
Ammonia Oxidation at High Pressure and Intermediate Temperatures (open access)

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
Thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1, 4-dioxide. Evaluation of the mean dissociation enthalpy of the (N-O) bond (open access)

Thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1, 4-dioxide. Evaluation of the mean dissociation enthalpy of the (N-O) bond

Article on the thermochemistry of 2-amino-3-quinoxalinecarbonitrile-1,4-dioxide and an evaluation of the mean dissociation enthalpy of the (N-O) bond.
Date: August 10, 2004
Creator: Silva, Maria D. M. C. Ribeiro da; Gomes, José R. B.; Gonçalves, Jorge M.; Sousa, Emanuel A.; Pandey, Siddharth & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Partition of solutes into wet and dry ethers; an LFER analysis (open access)

Partition of solutes into wet and dry ethers; an LFER analysis

Article on the partition of solutes into wet and dry ethers and an LFER analysis.
Date: June 10, 2003
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
An ab Initio Investigation of Halocarbenes (open access)

An ab Initio Investigation of Halocarbenes

Article on an ab initio investigation of halocarbenes.
Date: September 10, 1999
Creator: Schwartz, Martin & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Computational Study of C-H Bond Strengths in Polyfluoroalkanes (open access)

Computational Study of C-H Bond Strengths in Polyfluoroalkanes

Article on a computational study of C-H bond strengths in polyfluoroalkanes.
Date: April 10, 1997
Creator: Marshall, Paul & Schwartz, Martin
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Propyl Acetate + Alcohol Solvent Mixtures at 298.15 K (open access)

Solubility of Anthracene in Binary Propyl Acetate + Alcohol Solvent Mixtures at 298.15 K

Article discussing the solubility of anthracene in binary propyl acetate + alcohol solvent mixtures at 298.15 K
Date: January 10, 2008
Creator: Alcazar, Lisset; Blanco, Ana; Cano, Ruth; Fisher, Leigh; Nau, Mason; Sidransky, Lizette et al.
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Alcohol + 2-Methoxyethyl Ether Solvent Mixtures (open access)

Solubility of Anthracene in Binary Alcohol + 2-Methoxyethyl Ether Solvent Mixtures

Article on the solubility of anthracene in binary alcohol + 2-methoxyethyl ether solvent mixtures.
Date: March 10, 1997
Creator: Powell, Joyce R.; Coym, Karen S. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Ternary 1,4-Dioxane + Alcohol + Heptane Solvent Mixtures at 298.15 K (open access)

Solubility of Anthracene in Ternary 1,4-Dioxane + Alcohol + Heptane Solvent Mixtures at 298.15 K

Article on the solubility of anthracene in ternary 1,4-dioxane + alcohol + heptane solvent mixtures at 298.15 K.
Date: August 10, 2000
Creator: Pribyla, Karen J.; Spurgin, Michael A.; Chuca, Ivette & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility Determination of Tris(hydroxymethyl)aminomethane in Water + Methanol Mixtures at Various Temperatures Using a Laser Monitoring Technique (open access)

Solubility Determination of Tris(hydroxymethyl)aminomethane in Water + Methanol Mixtures at Various Temperatures Using a Laser Monitoring Technique

Article on solubility determination of tris(hydroxymethyl)aminomethane in water + methanol mixtures at various temperatures using a laser monitoring technique.
Date: June 10, 2014
Creator: Jouyban-Gharamaleki, Vahid; Jouyban-Gharamaleki, Karim; Soleymani, Jafar; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine (open access)

Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine

Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
Date: April 12, 2005
Creator: Bilyeu, Bryan; Brostow, Witold, 1934- & Menard, Kevin P.
Object Type: Patent
System: The UNT Digital Library
Solubility of Anthracene in Binary Alkane + 2-Butoxyethanol Solvent Mixtures at 298.2 K (open access)

Solubility of Anthracene in Binary Alkane + 2-Butoxyethanol Solvent Mixtures at 298.2 K

Article discussing the solubility of anthracene in binary alkane + 2-butoxyethanol solvent mixtures at 298.2 K.
Date: November 10, 1997
Creator: Hernández, Carmen E.; Roy, Lindsay Elizabeth; Reddy, Gaddum D.; Martinez, Geo L.; Jackson, Autumn; Brown, Guenevere et al.
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene and Phenanthrene in Ethanol + 2,2,4-Trimethylpentane Mixtures at Different Temperatures (open access)

Solubility of Anthracene and Phenanthrene in Ethanol + 2,2,4-Trimethylpentane Mixtures at Different Temperatures

This article discusses the solubility of anthracene and phenanthrene in ethanol + 2,2,4-trimethylpentane mixtures at different temperatures.
Date: March 10, 2011
Creator: Shayanfar, Ali; Eghrary, Shadi H.; Sardari, Faroukh; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary and Ternary Mixtures of Cyclohexanone, Ethyl Acetate, and Methanol at 298.2 K (open access)

Solubility of Anthracene in Binary and Ternary Mixtures of Cyclohexanone, Ethyl Acetate, and Methanol at 298.2 K

This article discusses the solubility of anthracene in binary and ternary mixtures of cyclohexanone, ethyl acetate, and methanol at 298.2 K.
Date: May 10, 2010
Creator: Jouyban, Abolghasem; Manzoori, Jamshid L.; Panahi-Azar, Vahid; Soleymani, Jafar; Fakhree, Mohammad Amin Abolghassemi; Shayanfar, Ali et al.
Object Type: Article
System: The UNT Digital Library
Analysis of immobilized artificial membrane retention factors for both neutral and ionic species (open access)

Analysis of immobilized artificial membrane retention factors for both neutral and ionic species

Article on the analysis of immobilized artificial membrane retention factors for both neutral and ionic species.
Date: May 10, 2013
Creator: Abraham, M. H. (Michael H.); Acree, William E. (William Eugene); Fahr, Alfred & Liu, Xiangli
Object Type: Article
System: The UNT Digital Library
Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model (open access)

Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model

This book chapter discusses the prediction of toxicity, sensory responses and biological responses with the Abraham model.
Date: February 10, 2012
Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type: Book Chapter
System: The UNT Digital Library
Prediction of Partition Coeffecients  and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients (open access)

Prediction of Partition Coeffecients and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients

Book chapter on the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.
Date: February 10, 2012
Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type: Book Chapter
System: The UNT Digital Library