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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
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
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
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
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
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
Two-Layer High-Throughput: Effective Mass Calculations Including Warping (open access)

Two-Layer High-Throughput: Effective Mass Calculations Including Warping

Article performing and analyzing two-layer high-throughput calculations.
Date: February 26, 2022
Creator: Supka, Andrew; Mecholsky, Nicholas A.; Buongiorno Nardelli, Marco; Curtarolo, Stefano & Fornari, Marco
Object Type: Article
System: The UNT Digital Library
Solubility of tadalafil in aqueous mixtures of Transcutol® and PEG 400 revisited: correlation, thermodynamics and preferential solvation (open access)

Solubility of tadalafil in aqueous mixtures of Transcutol® and PEG 400 revisited: correlation, thermodynamics and preferential solvation

Article analyzing mole fraction solubilities of tadalafil (3) in aqueous mixtures of Transcutol® and PEG 400 at temperatures from 298.15 to 333.15 K following Hildebrand solubility parameters.
Date: February 16, 2022
Creator: Shakeel, Faiyaz; Alshehri, Sultan; Ghoneim, Mohammed M.; Martínez, Fleming; Peña, María Á.; Jouyban, Abolghasem et al.
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

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
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
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
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
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
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
Subcellular localization of fungal specialized metabolites (open access)

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
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
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
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
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
Participation of alkali and sulfur in ammonia combustion chemistry: Investigation for ammonia/solid fuel co-firing applications (open access)

Participation of alkali and sulfur in ammonia combustion chemistry: Investigation for ammonia/solid fuel co-firing applications

Article asserts that ammonia (NH3) is a promising carbon-free energy carrier. The authors used experimental characterization and modeling to study the participation of alkali and sulfur species in ammonia conversion in a post-flame environment, focusing on the characteristics of NO emissions and NH3 slip.
Date: June 13, 2022
Creator: Weng, Wubin; Li, Zhongshan; Marshall, Paul & Glarborg, Peter
Object Type: Article
System: The UNT Digital Library
Nanomagnet-facilitated pharmaco-compatibility for cancer diagnostics: Underlying risks and the emergence of ultrasmall nanomagnets (open access)

Nanomagnet-facilitated pharmaco-compatibility for cancer diagnostics: Underlying risks and the emergence of ultrasmall nanomagnets

Article summarizes various progressive aspects of nanomagnets pertaining to their production with an emphasis on sustainable biomimetic approaches, particularly cancer therapy.
Date: June 27, 2022
Creator: Parimi, Divya S.; Gupta, Yamini; Marpu, Sreekar; Bhatt, Chandra S.; Bollu, Tharun K. & Suresh, Anil K.
Object Type: Article
System: The UNT Digital Library