Abraham Model Descriptors for Melatonin; Prediction of Solution, Biological and Thermodynamic Properties (open access)

Abraham Model Descriptors for Melatonin; Prediction of Solution, Biological and Thermodynamic Properties

Article using literature solubilities to obtain properties or descriptors of melatonin.
Date: January 27, 2022
Creator: Liu, Xiangli; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Abraham Solvation Parameter Model: Calculation of L Solute Descriptors for Large C11 to C42 Methylated Alkanes from Measured Gas–Liquid Chromatographic Retention Data (open access)

Abraham Solvation Parameter Model: Calculation of L Solute Descriptors for Large C11 to C42 Methylated Alkanes from Measured Gas–Liquid Chromatographic Retention Data

This article determines Abraham model L solute descriptors for 149 additional C11 to C42 monomethylated and polymethylated alkanes based on published Kovat’s retention indices based upon gas–liquid chromatographic measurements.
Date: July 5, 2022
Creator: Wu, Emily; Sinha, Sneha; Yang, Chelsea; Zhang, Miles & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Abraham Solvation Parameter Model: Examination of Possible Intramolecular Hydrogen-Bonding Using Calculated Solute Descriptors (open access)

Abraham Solvation Parameter Model: Examination of Possible Intramolecular Hydrogen-Bonding Using Calculated Solute Descriptors

This article calculates Abraham model solute descriptors using published solubility data for 4,5-dihydroxyanthraquinone-2-carboxylic acid dissolved in several organic solvents of varying polarity and hydrogen-bonding character.
Date: July 24, 2022
Creator: Sinha, Sneha; Yang, Chelsea; Wu, Emily & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Anomalous thermo-osmotic conversion performance of ionic covalent-organic-framework membranes in response to charge variations (open access)

Anomalous thermo-osmotic conversion performance of ionic covalent-organic-framework membranes in response to charge variations

Authors of the article systematically investigated how the membrane charge populations affect permselectivity by decoupling their effects from the impact of the pore structure using a multivariate strategy for constructing covalent-organic-framework membranes. The complex interplay between pore-pore interactions in response to charge variations for ion transport across the upscaled nanoporous membranes helps explain the obtained results. This study has far-reaching implications for the rational design of ionic membranes to augment energy extraction rather than intuitively focusing on achieving high densities.
Date: June 13, 2022
Creator: Xian, Weipeng; Zuo, Xiuhui; Zhu, Changjia; Guo, Qing; Meng, Qing-Wei; Zhu, Xincheng et al.
Object Type: Article
System: The UNT Digital Library
Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates (open access)

Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates

Article prepares and characterizes a small series of new [FeFe]-ase biomimics which contain a ferrocenyl diphosphine as a surrogate for the Fe₄S₄ moiety in the H-cluster of the enzyme. Mechanistic details of both proton reduction and H₂ oxidation have been studied by DFT allowing speculative reaction schemes to be developed.
Date: June 6, 2022
Creator: Orton, Georgia R. F.; Ghosh, Shishir; Alker, Lucy; Sarker, Jagodish C.; Pugh, David; Richmond, Michael G. et al.
Object Type: Article
System: The UNT Digital Library
The chemical coupling between moist CO oxidation and gas-phase potassium sulfation (open access)

The chemical coupling between moist CO oxidation and gas-phase potassium sulfation

Article discusses how the chemical coupling between moist CO oxidation and transformation of gaseous potassium salts (KCl or KOH) in the presence and absence of SO2 was investigated experimentally and through chemical kinetic modeling. Analysis of the calculations indicates that sulfation pathways in the model involving KOSO3 contribute to the overprediction, but both the thermodynamic properties and rate constants in the model involve significant uncertainties and more work is required to resolve the discrepancy.
Date: December 15, 2022
Creator: Chanpirak, Arphaphon; Hashemi, Hamid; Frandsen, Flemming; Wu, Hao; Glarborg, Peter & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Converging Cooperative Functions into the Nanospace of Covalent Organic Frameworks for Efficient Uranium Extraction from Seawater (open access)

Converging Cooperative Functions into the Nanospace of Covalent Organic Frameworks for Efficient Uranium Extraction from Seawater

Article reports a new strategy for efficient extraction of uranium from seawater via converging the cooperative functions of adsorption–photocatalysis into the nanospace of covalent organic frameworks (COFs). This study establishes multicomponent COFs as promising candidates for efficient uranium extraction from seawater.
Date: July 14, 2022
Creator: Hao, Mengjie; Chen, Zhongshan; Liu, Xiaolu; Liu, Xianhai; Zhang, Juyao; Yang, Hui et al.
Object Type: Article
System: The UNT Digital Library
Corrosion Inhibition Effect of Pyridine-2-Thiol for Brass in An Acidic Environment (open access)

Corrosion Inhibition Effect of Pyridine-2-Thiol for Brass in An Acidic Environment

Article states that the inhibitive performance of pyridine-2-thiol added to a corrosive solution was investigated for brass using potentiodynamic polarization, electrochemical impedance spectroscopy, and X-ray photoelectron spectroscopy. Scanning electron microscopy showed defect free and less scale formation for the inhibited surface but the bare brass surface had larger amounts of scale formation. X-ray photoelectron spectroscopy and UV-vis spectroscopy was used to investigate surface chemical composition and inhibitor structural changes over time.
Date: October 3, 2022
Creator: Karunarathne, Darshan Jayasinghe; Aminifazl, Alireza; Abel, Tori E.; Quepons, Karen L. & Golden, Teresa Diane, 1963-
Object Type: Article
System: The UNT Digital Library
A covalently linked nickel(II) porphyrin–ruthenium(II) tris(bipyridyl) dyad for efficient photocatalytic water oxidation (open access)

A covalently linked nickel(II) porphyrin–ruthenium(II) tris(bipyridyl) dyad for efficient photocatalytic water oxidation

Article describes how photocatalytic water splitting into H2 and O2 has attracted significant scientific interest for solar energy conversion applications during the last two decades. Authors of the article further elaborate that One of the half-reactions of this process, water oxidation, is known to be the key step in natural and artificial photosynthesis to convert and store solar energy.
Date: October 5, 2022
Creator: Nikoloudakis, Emmanouil; Alsaleh, Ajyal Z.; Charalambidis, Georgios; Coutsolelos, Athanassios G. & D'Souza, Francis
Object Type: Article
System: The UNT Digital Library
The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets (open access)

The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets

Article says that the steric stability of inorganic colloidal particles in an apolar solvent is usually described in terms of the balance between three contributions: the van der Waals attraction, the free energy of mixing, and the ligand compression. The authors demonstrate that for sufficiently large nanoplatelets, solvation forces are proportional to the interacting facet area, and their strength is intrinsically tied to the softness of the ligand shell.
Date: December 9, 2022
Creator: Petersen, Nanning; Girard, Martin; Riedinger, Andreas & Valsson, Omar
Object Type: Article
System: The UNT Digital Library
Drug Solubility Correlation Using the Jouyban–Acree Model: Effects of Concentration Units and Error Criteria (open access)

Drug Solubility Correlation Using the Jouyban–Acree Model: Effects of Concentration Units and Error Criteria

Article investigates the unit and error scale expression effects on the accuracy of the Jouyban–Acree model, in the current study, seventy-nine solubility data sets were collected randomly from the published articles and solute and solvent concentrations in the investigated systems were expressed in various units. Mass fraction, mole fraction, and volume fraction were the employed concentration units for the solvent compositions, and mole fraction, molar, and gram/liter were the investigated concentration units for the solutes. The solubility data, with various solute/solvent concentration units, were correlated using the Jouyban–Acree model, and the accuracy of each model for correlating the data was investigated by calculating different error scales and discussed.
Date: February 24, 2022
Creator: Rahimpour, Elaheh; Alvani-Alamdari, Sima; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Effect of N-Methyl-pyrrolidone (NMP) on the Equilibrium Solubility of Meloxicam in Aqueous Media: Correlation, Dissolution Thermodynamics, and Preferential Solvation (open access)

Effect of N-Methyl-pyrrolidone (NMP) on the Equilibrium Solubility of Meloxicam in Aqueous Media: Correlation, Dissolution Thermodynamics, and Preferential Solvation

Article describes a study of the drug Meloxicam in N-methyl-pyrrolidone (NMP)–aqueous mixtures at several temperatures to expand the solubility database about pharmaceutical compounds in aqueous–mixed solvents. Meloxicam is preferentially hydrated in water-rich mixtures but preferentially solvated by NMP in the composition interval of 0.16 < x1 < 1.00.
Date: October 14, 2022
Creator: Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Efficient oral insulin delivery enabled by transferrin-coated acid-resistant metal-organic framework nanoparticles (open access)

Efficient oral insulin delivery enabled by transferrin-coated acid-resistant metal-organic framework nanoparticles

Article uses acid-resistant metal-organic framework nanoparticles (UiO-68-NH2) to encapsulate sufficient insulin and decorated the exterior with targeting proteins (transferrin) to realize highly efficient oral insulin delivery.
Date: September 20, 2021
Creator: Zou, Jun-Jie; Wei, Gaohui; Xiong, Chuxiao; Yu, Yunhao; Li, Sihui; Hu, Liefeng et al.
Object Type: Article
System: The UNT Digital Library
Empirical Studies on Effect of Low-Level Laser Treatment on Glioblastoma Multiforme in Combination with Ag-PMMA-PAA Nanoparticles: Paired Red Region Optical-Property Treatment Platform (open access)

Empirical Studies on Effect of Low-Level Laser Treatment on Glioblastoma Multiforme in Combination with Ag-PMMA-PAA Nanoparticles: Paired Red Region Optical-Property Treatment Platform

This article investigates low-level laser therapy for brain tumor treatment. The results provide evidence that the paired optical-driven agents provide a tunable platform that can generate significant U251 cell death increase.
Date: June 13, 2022
Creator: Atluri, Rohini; Korir, Daniel K.; Choi, Tae-Youl & Simmons, Denise Perry
Object Type: Article
System: The UNT Digital Library
A Europium-Based Optical Sensor for the Detection of Carbon Dioxide and Its Application for a Fermentation Reaction (open access)

A Europium-Based Optical Sensor for the Detection of Carbon Dioxide and Its Application for a Fermentation Reaction

Article discusses a new europium-based complex, K[Eu(hfa)4] with hfa = hexafluoroacetylacetonate is synthesized and its structure confirmed via X-ray crystallography. Based on the data collected, a highly stable, brightly red-emissive Eu(III) complex with the ability to differentiate concentrations of CO2 in solution is hereby developed and characterized with benefits for various CO2 sensing applications.
Date: December 21, 2022
Creator: Benton, Erin N.; Rajitha Perera, Nawagamu A. K.; Nesterov, Vladimir N.; Perera, Wijayantha; Omary, Mohammad A. & Marpu, Sreekar
Object Type: Article
System: The UNT Digital Library
Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures (open access)

Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures

This article determines the equilibrium solubility of benzoic acid in water and ethanol, as well as in nine {ethanol (1) + water (2)} mixtures from T = (293.15 to 323.15) K. The thermodynamic results presented could be useful in optimizing different physical and chemical processes involving benzoic acid in mixed aqueous-ethanol media.
Date: August 1, 2022
Creator: Akay, Sema; Kayan, Berkant; Peña, M. Ángeles; Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
An experimental and chemical kinetic modeling study of the role of potassium in the moist oxidation of CO (open access)

An experimental and chemical kinetic modeling study of the role of potassium in the moist oxidation of CO

Article investigates the effect of KCl on moist CO oxidation in a laminar flow quartz reactor. Experiments were conducted in the absence of O2 (gasification), as well as under reducing and fuel-lean conditions, in the temperature range 873–1573 K, and the results were interpreted in terms of a chemical kinetic model.
Date: December 9, 2022
Creator: Chanpirak, Arphaphon; Wu, Hao; Glarborg, Peter & Marshall, Paul
Object Type: Article
System: The UNT Digital Library

Flipped and Free: an inverted, active-learning general chemistry course using exclusively OER

Presentation on using a flipped course format and including an open textbook, OpenStax: Chemistry 2e. Flipped courses provide lecture content that is accessible online, and they use class time for active learning activities. It is a part of 2022 University of North Texas Open Access Symposium that was held on March 8, 2022.
Date: March 8, 2022
Creator: Petros, Amy K.
Object Type: Presentation
System: The UNT Digital Library
Formation and Photoinduced Electron Transfer in Porphyrin- and Phthalocyanine-Bearing N-Doped Graphene Hybrids Synthesized by Click Chemistry (open access)

Formation and Photoinduced Electron Transfer in Porphyrin- and Phthalocyanine-Bearing N-Doped Graphene Hybrids Synthesized by Click Chemistry

Article presents research where N-doped graphene (NG) has been covalently decorated with porphyrin and phthalocyanine moieties using click chemistry. Evidence of charge separation in these hybrids is secured from femtosecond transient absorption studies, acting NG as electron acceptor.
Date: March 7, 2022
Creator: Arellano, Luis M.; Gobeze, Habtom B.; Barrejón, Myriam; Parejo, Concepción; Álvarez, Julio C.; Gómez-Escalonilla, María J. et al.
Object Type: Article
System: The UNT Digital Library
Gas-Phase Chemistry of 1,1,2,3,3,4,4-Heptafluorobut-1-ene Initiated by Chlorine Atoms (open access)

Gas-Phase Chemistry of 1,1,2,3,3,4,4-Heptafluorobut-1-ene Initiated by Chlorine Atoms

This article uses the relative rate method to determine the rate constant for the reaction of heptafluorobut-1-ene (CF₂=CFCF₂CF₂H) with chlorine atoms in air.
Date: December 29, 2021
Creator: Sapkota, Ramesh & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Heterologous Expression of Secondary Metabolite Genes in Trichoderma reesei for Waste Valorization (open access)

Heterologous Expression of Secondary Metabolite Genes in Trichoderma reesei for Waste Valorization

Article develops Trichoderma reesei (Hypocrea jecorina) as a microbial cell factory for the heterologous expression of fungal secondary metabolites.
Date: March 9, 2022
Creator: Shenouda, Mary L.; Ambilika, Maria; Skellam, Elizabeth & Cox, Russell J.
Object Type: Article
System: The UNT Digital Library
Highly efficient and selective electrocatalytic hydrogen peroxide production on Co-O-C active centers on graphene oxide (open access)

Highly efficient and selective electrocatalytic hydrogen peroxide production on Co-O-C active centers on graphene oxide

Article demonstrating that single cobalt atoms anchored on oxygen functionalized graphene oxide form Co-O-C@GO active centres (abbreviated as Co₁@GO for simplicity) act as an efficient and durable electrocatalyst for H₂O₂ production.
Date: March 28, 2022
Creator: Zhang, Bin-Wei; Zheng, Tao; Wang, Yun-Xiao; Du, Yi; Chu, Sheng-Qi; Xia, Zhenhai et al.
Object Type: Article
System: The UNT Digital Library
Increasing the Equilibrium Solubility of Meloxicam in Aqueous Media by Using Dimethyl Sulfoxide as a Cosolvent: Correlation, Dissolution Thermodynamics and Preferential Solvation (open access)

Increasing the Equilibrium Solubility of Meloxicam in Aqueous Media by Using Dimethyl Sulfoxide as a Cosolvent: Correlation, Dissolution Thermodynamics and Preferential Solvation

This article studies the solubility of meloxicam in dimethyl sulfoxide (DMSO)-aqueous solvent systems at several temperatures from 273.15 to 313.15 K to expand the solubility database about analgesic drugs in mixed solvents.
Date: August 12, 2022
Creator: Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Peña, María Á.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Installation of synergistic binding sites onto porous organic polymers for efficient removal of perfluorooctanoic acid (open access)

Installation of synergistic binding sites onto porous organic polymers for efficient removal of perfluorooctanoic acid

Article reports a strategy to construct highly efficient perfluorooctanoic acid (PFOA) adsorbents by installing synergistic electrostatic/hydrophobic sites onto porous organic polymers (POPs).
Date: April 19, 2022
Creator: Liu, Xiongli; Zhu, Changjia; Yin, Jun; Li, Jixin; Zhang, Zhiyuan; Li, Jinli et al.
Object Type: Article
System: The UNT Digital Library