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Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures (open access)

Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures

Article on calculations predicting that carbon tunneling allows the degenerate cope rearrangement of semibullvalene to occur rapidly at cryogenic temperatures.
Date: May 27, 2010
Creator: Zhang, Xue; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature (open access)

Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature

Article on the effects of geminal methyl groups on the tunnelling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperature.
Date: 2011
Creator: Zhang, Xue; Hrovat, David A.; Datta, Ayan & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2] (open access)

Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]

Article on experimental and computational studies of the isomerization reactions of bidentate phosphine ligands in triosmium clusters.
Date: February 22, 2011
Creator: Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A. et al.
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 (open access)

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
Computational Study of 3d Metals and Their Influence on the Acidity of Methane C–H Bonds (open access)

Computational Study of 3d Metals and Their Influence on the Acidity of Methane C–H Bonds

Article describes experiment where CCSD(T) methods in conjunction with correlation consistent basis sets were used to predict the pKa for the deprotonation of methane in a 3d metal ion adduct, [M···CH4]+ (M = Sc–Cu), in dimethyl sulfoxide solvent, which is modeled by the SMD continuum solvent model.
Date: November 19, 2019
Creator: Zhou, Christopher X. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4 (open access)

Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4

Article on a proposed experimental test of the prediction of a triplet ground state for (CO)4.
Date: August 18, 2009
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms (open access)

Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms

Article on cyclooctatetraenes tetrakis-annelated with α-dithio- or α-diselenocarbonyl groups.
Date: February 12, 2010
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Excited State Charge Separation in an Azobenzene-Bridged Perylenediimide Dimer – Effect of Photochemical Trans-Cis Isomerization (open access)

Excited State Charge Separation in an Azobenzene-Bridged Perylenediimide Dimer – Effect of Photochemical Trans-Cis Isomerization

Article demonstrating photoinduced charge transfer and separation events in a newly synthesized azobenzene-bridged perylenediimide-dimer (PDI-dimer). Results offer key insights on the role of the azobenzene bridge and the dimer geometry in governing the excited state charge transfer and separation in symmetrically linked PDI dimer.
Date: September 20, 2021
Creator: Zink-Lorre, Nathalie; Seetharaman, Sairaman; Gutiérrez-Moreno, David; Fernández-Lázaro, Fernando; Karr, Paul A. & D'Souza, Francis
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
Solubility of Anthracene in Binary Alcohol + 2-Methyl-1-propanol and Alcohol + 3-Methyl-1-butanol Solvent Mixtures (open access)

Solubility of Anthracene in Binary Alcohol + 2-Methyl-1-propanol and Alcohol + 3-Methyl-1-butanol Solvent Mixtures

Article on the solubility of anthracene in binary alcohol + 2-methyl-1-propanol and alcohol + 3-methyl-1-butanol solvent mixtures.
Date: July 1995
Creator: Zvaigzne, Anita I. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Alkane + 2-Butanol Solvent Mixtures (open access)

Solubility of Anthracene in Binary Alkane + 2-Butanol Solvent Mixtures

Article discussing the solubility of anthracene in binary alkane + 2-butanol solvent mixtures.
Date: January 1994
Creator: Zvaigzne, Anita I. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Alkane + 3-Methyl-1-butanol Solvent Mixtures (open access)

Solubility of Anthracene in Binary Alkane + 3-Methyl-1-butanol Solvent Mixtures

Article on the solubility of anthracene in binary alkane + 3-methyl-1-butanol solvent mixtures.
Date: October 1994
Creator: Zvaigzne, Anita I. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary tert-Butylcyclohexane + Alcohol and tert-Butylcyclohexane + 2,2,4-Trimethylpentane Solvent Mixtures (open access)

Solubility of Anthracene in Binary tert-Butylcyclohexane + Alcohol and tert-Butylcyclohexane + 2,2,4-Trimethylpentane Solvent Mixtures

Article discussing the solubility of anthracene in binary tert-butylcyclohexane + alcohol and tert-butylcyclohexane + 2,2,4-trimethylpentane solvent mixtures.
Date: January 1994
Creator: Zvaigzne, Anita I. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Pyrene in Binary Alkane + 1-Octanol Solvent Mixtures (open access)

Solubility of Pyrene in Binary Alkane + 1-Octanol Solvent Mixtures

Article discussing the solubility of pyrene in binary alkane + 1-octanol solvent mixtures.
Date: September 1995
Creator: Zvaigzne, Anita I. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Pyrene in Binary Alkane + 1-Propanol and Alkane + 2-Propanol Solvent Mixtures (open access)

Solubility of Pyrene in Binary Alkane + 1-Propanol and Alkane + 2-Propanol Solvent Mixtures

Article on the solubility of pyrene in binary alkane + 1-propanol and alkane + 2-propanol solvent mixtures.
Date: July 1993
Creator: Zvaigzne, Anita I. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene and Pyrene in Binary Alcohol + Alcohol Solvent Mixtures (open access)

Solubility of Anthracene and Pyrene in Binary Alcohol + Alcohol Solvent Mixtures

Article on the solubility of anthracene and pyrene in binary alcohol + alcohol solvent mixtures.
Date: November 1995
Creator: Zvaigzne, Anita I.; McHale, Mary E. R.; Powell, Joyce R.; Kauppila, Ann-Sofi M. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Pyrene in Binary Alcohol + 1-Propanol and Alcohol + 2-Propanol Solvent Mixtures (open access)

Solubility of Pyrene in Binary Alcohol + 1-Propanol and Alcohol + 2-Propanol Solvent Mixtures

Article on the solubility of pyrene in binary alcohol + 1-propanol and alcohol + 2-propanol solvent mixtures.
Date: November 1995
Creator: Zvaigzne, Anita I.; Miller, Brian J. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Alkane + 1-Propanol and Alkane + 1-Butanol Solvent Mixtures (open access)

Solubility of Anthracene in Binary Alkane + 1-Propanol and Alkane + 1-Butanol Solvent Mixtures

Article on the solubility of anthracene in binary alkane + 1-propanol and alkane + 1-butanol solvent mixtures.
Date: July 1993
Creator: Zvaigzne, Anita I.; Teng, I.-Lih; Martinez, Erika; Trejo, Jennifer & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Alkane + 2-Methyl-1-propanol Solvent Mixtures (open access)

Solubility of Anthracene in Binary Alkane + 2-Methyl-1-propanol Solvent Mixtures

Article on the solubility of anthracene in binary alkane + 2-methyl-1-propanol solvent mixtures.
Date: July 1994
Creator: Zvaigzne, Anita I.; Wolfe, Joshua & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Application of Various Normalization Methods for Microscale Analysis of Tissues Using Direct Analyte Probed Nanoextraction (open access)

Application of Various Normalization Methods for Microscale Analysis of Tissues Using Direct Analyte Probed Nanoextraction

Article describes a study where various normalization techniques were investigated in order to improve the quantitative capabilities of direct analyte probed nanoextraction (DAPNe).
Date: September 27, 2018
Creator: de Jesus, Janella; Bunch, Josephine; Verbeck, Guido F.; Webb, Roger P.; Costa, Catia; Goodwin, Richard J. A. et al.
Object Type: Article
System: The UNT Digital Library
Nanoparticles & Cancer Cells (open access)

Nanoparticles & Cancer Cells

Undergraduate research thesis studying nanoparticles as a therapeutic approach in cancer-targeting drugs and their effects on mammals. The author hypothesizes that nanoparticles can make cancer-targeting drugs more effective. This thesis also includes the PowerPoint slides presented at UNT Scholar's Day.
Date: 2013~/2014~
Creator: deCarvalho, Roceli
Object Type: Thesis or Dissertation
System: The UNT Digital Library
Rediscovering the Periodic Table, One Element at a Time (open access)

Rediscovering the Periodic Table, One Element at a Time

Article describing James and Virginia Marshall's quest to visit the birthplace of all the elements on the periodic table. The article mentions that they have released a DVD and were interviewed on "Here and Now."
Date: Autumn 2010
Creator: unknown
Object Type: Article
System: The UNT Digital Library