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108
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)
Object Type:
Article
System:
The UNT Digital Library
Machine Learning Quantitative Structure–Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons
This article presents a study with the aim to develop quantitative structure–property relationships (QSPRs) that would allow the understanding of molecular interactions in ionic liquids based on the structure of the cationic moiety.
Date:
July 7, 2022
Creator:
Toots, Karl Marti; Sild, Sulev; Leis, Jaan; Acree, William E. (William Eugene) & Maran, Uko, 1966-
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
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
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
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
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
The Molecular Building Block Sampling Approach for Polymorphic Free Energy Calculations
Data management plan for the grant, "The Molecular Building Block Sampling Approach for Polymorphic Free Energy Calculations."
Date:
2023-07-01/2024-06-30
Creator:
Valsson, Omar
Object Type:
Text
System:
The UNT Digital Library
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
Incorporation of Chiral Frustrated Lewis Pair into Metal–Organic Framework with Tailored Microenvironment for Heterogeneous Enantio- and Chemoselective Hydrogenation
Article states that the development of efficient heterogeneous catalysts with multiselectivity (e.g., enantio- and chemoselectivity) has long been sought after but with limited progress being made so far. To achieve enantio- and chemoselectivity in a heterogeneous system, as inspired by enzymes, the authors illustrate herein an approach of creating an enzyme-mimic region (EMR) within the nanospace of a metal–organic framework (MOF) as exemplified in the context of incorporating a chiral frustrated Lewis pair (CFLP) into a MOF with a tailored pore environment.
Date:
July 27, 2023
Creator:
Zhang, Yin; Jiang, Yao; Nafady, Ayman; Tang, Zhiyong; Al-Enzini, Abdullah M.; Tan, Kui et al.
Object Type:
Article
System:
The UNT Digital Library
Large-Scale Synthesis of Covalent Organic Frameworks: Challenges and Opportunities
Article describes how connecting organic building blocks by covalent bonds to design porous crystalline networks has led to covalent organic frameworks (COFs), consequently transferring the flexibility of dynamic linkages from discrete architectures to extended structures. Authors state that this review article highlights the fundamental of COFs, including designing principles, coupling reactions, topologies, structural diversity, synthetic strategies, characterization, growth mechanism, and activation aspects of COFs.
Date:
July 27, 2023
Creator:
Vardhan, Harsh; Rummer, Grace; Deng, Angela & Ma, Shengqian
Object Type:
Article
System:
The UNT Digital Library
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.
Object Type:
Article
System:
The UNT Digital Library
Re-examination of the N2O+O reaction
This article is about how the reaction of N20 with O is a key step in consumption of nitrous oxide in thermal processes. In the present work ,the authors re-examined a wide range of experiments relevant for the N2O+O reaction through kinetic modeling, paying attention to the impact of artifacts such as impurities and surface reactions.
Date:
July 27, 2023
Creator:
Glarborg, Peter; Allingham, Johanne S.; Skov, Alexander B.; Hashemi, Hamid & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library