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Computational studies of the reactions of CH3I with H and OH (open access)

Computational studies of the reactions of CH3I with H and OH

Article on computational studies of the reactions of CH3I with H and OH.
Date: March 26, 1998
Creator: Marshall, Paul; Misra, Ashutosh & Berry, Rajiv
Object Type: Article
System: The UNT Digital Library
What Can We Learn about Dispersion from the Conformer Surface of n-Pentane? (open access)

What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?

This article maps the torsional surface of n-pentane to 10-degree resolution at the CCSD(T)-F12 level near the basis set limit.
Date: February 8, 2013
Creator: Martin, Jan M. L.
Object Type: Article
System: The UNT Digital Library
What Can We Learn about Dispersion from the Conformer Surface of n-Pentane? (open access)

What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?

Article describes study in which researchers mapped the torsional surface of n-pentane to 10-degree resolution at the CCSD(T)-F12 level near the basis set limit.
Date: March 28, 2013
Creator: Martin, Jan M. L.
Object Type: Article
System: The UNT Digital Library
Pharmaceuticals Solubility is Still Nowadays Widely Studied Everywhere (open access)

Pharmaceuticals Solubility is Still Nowadays Widely Studied Everywhere

This editorial discusses the importance of equilibrium solubility in pharmaceutical areas.
Date: March 2017
Creator: Martínez, Fleming
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Alcohol + 2-Propoxyethanol Solvent Mixtures (open access)

Solubility of Anthracene in Binary Alcohol + 2-Propoxyethanol Solvent Mixtures

Article on the solubility of anthracene in binary alcohol + 2-propoxyethanol solvent mixtures.
Date: March 12, 1996
Creator: McHale, Mary E. R.; Powell, Joyce R.; Kauppila, Ann-Sofi M. & Acree, William E. (William Eugene)
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
Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation (open access)

Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation

This article discusses the use of neutron diffraction and molecular simulations to investigate the framework expansion behaviour and the accessibility of the small pockets to N₂, O₂, and CO₂.
Date: March 9, 2017
Creator: Moghadam, Peyman Z.; Ivy, Joshua F.; Arvapally, Ravi K.; dos Santos, Antonio M.; Pearson, John C.; Zhang, Li et al.
Object Type: Article
System: The UNT Digital Library
Solubility in Binary Solvent Mixtures: Anthracene Dissolved in Alcohol + Acetonitrile Mixtures at 298.2 K (open access)

Solubility in Binary Solvent Mixtures: Anthracene Dissolved in Alcohol + Acetonitrile Mixtures at 298.2 K

Article on the solubility in binary solvent mixtures and anthracene dissolved in alcohol + acetonitrile mixtures at 298.2 K.
Date: March 27, 2003
Creator: Monárrez, Cassandra I.; Woo, Jee H.; Taylor, Priscilla G.; Tran, Anh M. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Multimodal switching of a redox-active macrocycle (open access)

Multimodal switching of a redox-active macrocycle

This article looks at molecules that can exist in multiple states with the possibility of toggling between those states based on different stimuli. They have potential for use in molecular switching or sensing applications. The coupling of two different oxidation states with two different charge-transfer states within one macrocyclic scaffold delivers up to five different optical outputs. This molecular switching manifold exploits intramolecular coupling of multiple redox active substituents within a single molecule.
Date: March 1, 2019
Creator: Payne, Daniel T.; Webre, W. A.; Matsushita, Yoshitaka; Zhu, Nianyong; Futera, Zdeněk; Labuta, 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
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
Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe₃(CO)₇(μ-edt)₂] and Phosphine Derivatives [Fe₃(CO)₇−ₓ(PPh₃)ₓ(μ-edt)₂] (x = 1, 2) and [Fe₃(CO)₅(κ²‑diphosphine)(μ- edt)₂] as Proton Reduction Catalysts (open access)

Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe₃(CO)₇(μ-edt)₂] and Phosphine Derivatives [Fe₃(CO)₇−ₓ(PPh₃)ₓ(μ-edt)₂] (x = 1, 2) and [Fe₃(CO)₅(κ²‑diphosphine)(μ- edt)₂] as Proton Reduction Catalysts

This article describes the preparation and structural characterization of the mixed-valence triiron complexes.
Date: July 15, 2013
Creator: Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E. et al.
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
Study of Ether-, Alcohol-, or Cyano-Functionalized Ionic Liquids Using Inverse Gas Chromatography (open access)

Study of Ether-, Alcohol-, or Cyano-Functionalized Ionic Liquids Using Inverse Gas Chromatography

This article discusses the study of ether-, alcohol, or cyano-functionalized ionic liquids using inverse gas chromatography.
Date: March 11, 2010
Creator: Revelli, Anne-Laure; Mutelet, Fabrice; Jaubert, Jean-Noël; Garcia-Martinez, Marina; Sprunger, Laura M.; Acree, William E. (William Eugene) et al.
Object Type: Article
System: The UNT Digital Library
Electron Transfer Mediated by Iron Carbonyl Clusters Enhance Light-Driven Hydrogen Evolution in Water by Quantum Dots (open access)

Electron Transfer Mediated by Iron Carbonyl Clusters Enhance Light-Driven Hydrogen Evolution in Water by Quantum Dots

This article tests an assembly consisting of CdSe quantum dots and [Fe₃Te₂(CO)₉] as a catalytic system for proton reduction in aqueous solution.
Date: March 9, 2020
Creator: Richmond, Michael G.; Li, Chuanshuai; Rahaman, Ahibur; Lin, Weihua; Mourad, Hassan; Meng, Jie et al.
Object Type: Article
System: The UNT Digital Library
Dynamic Conductance of Carbon Nanotubes (open access)

Dynamic Conductance of Carbon Nanotubes

Article on dynamic conductance of carbon nanotubes.
Date: March 27, 2000
Creator: Roland, Christopher; Buongiorno Nardelli, Marco; Wang, Jian & Guo, Hong
Object Type: Article
System: The UNT Digital Library
Multiple coexisting intercalation structures of sodium in epitaxial graphene-SiC interfaces (open access)

Multiple coexisting intercalation structures of sodium in epitaxial graphene-SiC interfaces

This article discusses multiple coexisting intercalation structures of sodium in peitaxial graphene-SiC interfaces.
Date: March 9, 2012
Creator: Sandin, Andreas; Jayasekera, Thushari; Rowe, J. E.; Kim, Ki Wook; Buongiorno Nardelli, Marco & Dougherty, Daniel B.
Object Type: Article
System: The UNT Digital Library
Exploring NIR Aza-BODIPY-Based Polarity Sensitive Probes with ON-and-OFF Fluorescence Switching in Pluronic Nanoparticles (open access)

Exploring NIR Aza-BODIPY-Based Polarity Sensitive Probes with ON-and-OFF Fluorescence Switching in Pluronic Nanoparticles

The articles is about a study of the response of six NIR aza-BODIPY-based and structurally similar fluorophores to polarity and viscosity for incorporation inside Pluronic nanoparticles as switchable fluorescent probes (SFPs). Based on their results, all of these fluorophores were moderately to strongly sensitive to the polarity of the microenvironment. They concluded that attaching amine groups to the fluorophore is not necessary for having strong polarity sensitive probes.
Date: March 2, 2020
Creator: Saremi, Bahar; Bandi, Venugopal; Kazemi, Shahrzad; Hong, Yi; D'Souza, Francis & Yuan, Baohong
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
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
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
Isomerization of the osmium-tellurium cluster Os₃(𝜇-TeR)₂(CO)₁₀: a kinetic and computational study (open access)

Isomerization of the osmium-tellurium cluster Os₃(𝜇-TeR)₂(CO)₁₀: a kinetic and computational study

This article discusses the kinetics for the isomerization of the 50e cluster Os₃(𝜇-TeTol-p)₂(CO)₁₀ as measured experimentally by H NMR spectroscopy.
Date: February 12, 2016
Creator: Shim, E. K. S.; Leong, W. K.; Li, Y. -Z. & Richmond, Michael G.
Object Type: Article
System: The UNT Digital Library
Thermodynamic Properties of Quinoxaline-1,4-Dioxide Derivatives: A Combined Experimental and Computational Study (open access)

Thermodynamic Properties of Quinoxaline-1,4-Dioxide Derivatives: A Combined Experimental and Computational Study

Article on thermodynamic properties of quinoxaline-1,4-dioxide derivatives and a combined experimental and computational study.
Date: March 16, 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
Developing a Biomanufacturing Platform for the Site-Selective Functionalization and Structural Diversification of Cytochalasan-Based Carbon Skeletons (open access)

Developing a Biomanufacturing Platform for the Site-Selective Functionalization and Structural Diversification of Cytochalasan-Based Carbon Skeletons

Data management plan for the grant, "Developing a Biomanufacturing Platform for the Site-Selective Functionalization and Structural Diversification of Cytochalasan-Based Carbon Skeletons." This project will identify fungal enzymes that efficiently modify more than one substrate in a predictable way. Also, enzymes will be engineered to expand the range of substrates. A biomanufacturing platform to synthesize bioactive molecules at lower costs will be the end result. Fungi can synthesize small molecules with complex structures using a number of highly coordinated enzymes. These molecules are difficult to make synthetically, and they can aid in crop production or have beneficial human health effects. Cytochalasans are phytotoxic, cytotoxic and actin-binding natural products. Produced by fungi, over 400 variants have been described. The structural diversity is partly explained by the flexibility of the enzymes that introduce and modify functional groups. These enzymes structurally rearrange the core carbon skeleton in a site-selective manner, often on more than one substrate. Genome mining will be used to identify cytochalasan tailoring enzymes. Overproducing strains will be characterized chemically. Transcription factor over-expression will be investigated. Targeted gene knock-out will confirm the function and scope of the enzymes. The enzymes will be engineered to expand their substrate range. Synthetic biology and metabolic …
Date: 2021-03-01/2024-02-29
Creator: Skellam, Elizabeth
Object Type: Text
System: The UNT Digital Library