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
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
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
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
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
Regulating C2H2/CO2 adsorption selectivity by electronic-state manipulation of iron in metal-organic frameworks (open access)

Regulating C2H2/CO2 adsorption selectivity by electronic-state manipulation of iron in metal-organic frameworks

Article reports a metal electronic-state manipulation strategy to construct a pair of isostructural and interconvertible Fe-MOFs featuring open Fe centers with different electron densities for efficient C₂H₂/CO₂ separation. The authors show that the presence of Fe[II] centers with a medium-spin-state trail plays a crucial role in the enhanced C₂H₂ selective adsorption.
Date: July 20, 2022
Creator: Chen, Cheng-Xia; Pham, Tony; Tan, Kui; Krishna, Rajamani; Lan, Pui Ching; Wang, Longfei et al.
Object Type: Article
System: The UNT Digital Library
Unusual Properties of Hydrogen-Bonded Ferroelectrics: The Case of Cobalt Formate (open access)

Unusual Properties of Hydrogen-Bonded Ferroelectrics: The Case of Cobalt Formate

Article using first-principles simulations to predict room temperature ferroelectricity in a representative of the formate family, [NH₂NH₃][Co(HCOO)₃].
Date: February 18, 2022
Creator: Ghosh, P. S.; DeTellem, D.; Ren, J.; Witanachchi, S.; Ma, Shengqian; Lisenkov, S. et al.
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
Preferential Solvation Study of the Synthesized Aldose Reductase Inhibitor (SE415) in the {PEG 400 (1) + Water (2)} Cosolvent Mixture and GastroPlus-Based Prediction (open access)

Preferential Solvation Study of the Synthesized Aldose Reductase Inhibitor (SE415) in the {PEG 400 (1) + Water (2)} Cosolvent Mixture and GastroPlus-Based Prediction

Article is a study highlighting the mechanistic understanding of the dissolution process of SE415 by biocompatible PEG 400 in the (PEG 400 + water) cosolvent mixture using HSPs, Kirkwood–Buff integrals, and thermodynamic functional parameters for solubility.
Date: October 15, 2021
Creator: Hussain, Afzal; Altamimi, Mohammad A.; Afzal, Obaid; Altamimi, Abdulmalik S. A.; Ali, Abuzer; Ali, Amena et al.
Object Type: Article
System: The UNT Digital Library
Preferential Solvation Study of the Synthesized Aldose Reductase Inhibitor (SE415) in the {PEG 400 (1) + Water (2)} Cosolvent Mixture and GastroPlus-Based Prediction (open access)

Preferential Solvation Study of the Synthesized Aldose Reductase Inhibitor (SE415) in the {PEG 400 (1) + Water (2)} Cosolvent Mixture and GastroPlus-Based Prediction

This article presents evidence that the binary cosolvent system can be a promising approach for enhanced oral absorption in controlling diabetes mellitus (DM) and associated complications in humans.
Date: January 2, 2022
Creator: Hussain, Afzal; Altamimi, Mohammad A.; Afzal, Obaid; Altamimi, Abdulmalik S. A.; Ali, Abuzer; Ali, Amena 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
Stereochemical and Biosynthetic Rationalisation of the Tropolone Sesquiterpenoids (open access)

Stereochemical and Biosynthetic Rationalisation of the Tropolone Sesquiterpenoids

Article summarises the known structures, biological activities, and biosynthetic pathways of the tropolone sesquiterpenoid family of fungal secondary metabolites. Synthesis of this knowledge allows likely structural and stereochemical misassignments to be revised and shows how the compounds can be divided into three main biosynthetic classes based on the stereochemistry of key biosynthetic steps.
Date: August 31, 2022
Creator: Li, Lei & Cox, Russell, J.
Object Type: Article
System: The UNT Digital Library
An experimental and modeling study on auto-ignition kinetics of ammonia/methanol mixtures at intermediate temperature and high pressure (open access)

An experimental and modeling study on auto-ignition kinetics of ammonia/methanol mixtures at intermediate temperature and high pressure

Article describes how a rapid compression machine has been applied to measure the ignition delay times of NH3/CH3OH mixtures covering pressures of 20 and 40 bar, equivalence ratios of 0.5, 1.0 and 2.0, and temperatures between 845 and 1100 K. Analysis of the pressure profiles shows three distinct ignition modes for NH3/CH3OH mixtures, facilitated by the pre-ignition heat release from NH3 consumption. A detailed mechanism for ignition of NH3/CH3OH fuel blends has been developed, capable of reproducing the ignition behavior of mixtures with reasonable accuracy.
Date: April 29, 2022
Creator: Li, Mengdi; He, Xiaoyu; Hashemi, Hamid; Glarborg, Peter; Lowe, Vincent M.; Marshall, Paul et al.
Object Type: Article
System: The UNT Digital Library
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
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
Soft Metal Cations Trigger Sandwich-Cluster Luminescence of a New Au(I)-Vinylimidazolate Cyclic Trinuclear Complex (open access)

Soft Metal Cations Trigger Sandwich-Cluster Luminescence of a New Au(I)-Vinylimidazolate Cyclic Trinuclear Complex

Article presenting results from a study where a new gold(I)-vinylimidazolate CTC, 1, was prepared and the formation of highly emissive sandwich adducts with the soft metal cations Cu+, Ag+, and Tl+, 2–4, respectively, was investigated.
Date: February 14, 2022
Creator: Lu, Zhou; Burini, Alfredo; McDougald, Roy N., Jr.; Ricci, Simone; Luciani, Lorenzo; Nesterov, Vladimir N. et al.
Object Type: Article
System: The UNT Digital Library
Soft Metal Cations Trigger Sandwich-Cluster Luminescence of a New Au(I)-Vinylimidazolate Cyclic Trinuclear Complex (open access)

Soft Metal Cations Trigger Sandwich-Cluster Luminescence of a New Au(I)-Vinylimidazolate Cyclic Trinuclear Complex

Article presenting research that obtained a new Au(I) CTC bearing the 1-vinylimidazolate ligand and furthered the controllable synthetic pathway to afford heterometallic sandwich-like clusters.
Date: February 14, 2022
Creator: Lu, Zhou; Burini, Alfredo; McDougald, Roy N., Jr.; Ricci, Simone; Luciani, Lorenzo; Nesterov, Vladimir N. et al.
Object Type: Article
System: The UNT Digital Library
Metal-organic framework nanocrystal-derived hollow porousmaterials: Synthetic strategies and emerging applications (open access)

Metal-organic framework nanocrystal-derived hollow porousmaterials: Synthetic strategies and emerging applications

Article discusses how the fascinating, functional properties and applications of MOF-derived hollow porous materials primarily lie in their chemical composition, hollow character, and unique porous structure. The authors discuss a comprehensive overview of the synthetic strategies and emerging applications of hollow porous materials derived from MOF-based templates and/or precursors.
Date: September 13, 2022
Creator: Lui, Xiaolu; Verma, Guarav; Chen, Zhongshan; Hu, Baowei; Huang, Qifei; Yang, Hui et al.
Object Type: Article
System: The UNT Digital Library
Lignocellulosic-Based Activated Carbon-Loaded Silver Nanoparticles and Chitosan for Efficient Removal of Cadmium and Optimization Using Response Surface Methodology (open access)

Lignocellulosic-Based Activated Carbon-Loaded Silver Nanoparticles and Chitosan for Efficient Removal of Cadmium and Optimization Using Response Surface Methodology

Article expresses how the cadmium-contaminated water body is a worldwide concern for the environment and toxic to human beings and the removal of cadmium ions from drinking and groundwater sustainably and cost-effectively is important. The results showed that synthesized CS-KAC-Ag was a biocompatible and versatile porous filtering material for the decontamination of different toxic metal ions.
Date: December 13, 2022
Creator: Mandal, Sujata; Marpu, Sreekar; Omary, Mohammad A.; Dinulescu, Catalin C.; Prybutok, Victor R. & Shi, Sheldon
Object Type: Article
System: The UNT Digital Library
Comment on ‘Extremely rapid self-reactions of hydrochlorofluoromethanes and hydrochlorofluoroethanes and implications in destruction of ozone’ (open access)

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
Unsymmetric Pentacene- and Pentacenequinone-Fused Porphyrins: Understanding the Effect of Cross- and Linear-Conjugation (open access)

Unsymmetric Pentacene- and Pentacenequinone-Fused Porphyrins: Understanding the Effect of Cross- and Linear-Conjugation

Article says that unsymmetric pentacenequinone-fused (cross-conjugated) and pentacene-fused (linear-conjugated) porphyrins were designed and synthesized. This work provides important and useful information on guiding new material designs.
Date: July 29, 2022
Creator: Moss, Austen; Nevonen, Dustin E.; Hu, Yi; Nesterov, Vladimir N.; Nemykin, Victor N. & Wang, Hong
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
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