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Polycyclic Aromatic Nitrogen Heterocycles. Part V: Fluorescence Emission Behavior of Select Tetraaza- and Diazaarenes in Nonelectrolyte Solvents
Article on polycyclic aromatic nitrogen heterocycles and fluorescence emission behavior of select tetraaza- and diazaarenes in nonelectrolyte solvents.
Date:
February 1, 1993
Creator:
Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene) & Upton, Christopher
Object Type:
Article
System:
The UNT Digital Library
The Kinetics of the NH Reaction with H2 and Reassessment of HNO Formation from NH + CO2, H2O
Article on kinetics of the NH reaction with H2 and reassessment of HNO formation from NH + CO2, H2O.
Date:
February 7, 2006
Creator:
Fontijn, A. (Arthur); Shamsuddin, Sayed M.; Crammond, Duane; Marshall, Paul & Anderson, William R.
Object Type:
Article
System:
The UNT Digital Library
Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters – diastereomeric control of enantioselectivity
Article presenting research where twenty clusters of the general formula [(μ-H)₂Ru₃(μ₃-S)(CO)₇(μ-P–P*)] (P–P* = chiral diphosphine of the ferrocene-based Walphos or Josiphos families) have been synthesised and characterised.
Date:
February 27, 2020
Creator:
Richmond, Michael G.; Abdel-Magied, Ahmed F.; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa et al.
Object Type:
Article
System:
The UNT Digital Library
Bifunctional activation of methane by bioinspired transition metal complexes. A simple methane protease model
Article modeling Metal-based bifunctional methane activators using density functional theory. The research yields insight into possible avenues for bio-inspired methane activators.
Date:
February 15, 2021
Creator:
Anderson, Mary E.; Marks, Michael B. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
3,5-Bis(4-chlorobenzylidene)-1-methyl-piperidin-4-one
In the title molecule, C₂₀H₁₇Cl₂NO, the central heterocyclic ring adopts a flattened boat conformation.
Date:
February 23, 2011
Creator:
Nesterov, Volodymyr V.; Sarkisov, Sergey S.; Shulaev, Vladimir & Nesterov, Vladimir N.
Object Type:
Article
System:
The UNT Digital Library
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
Comments Concerning “Measurement of the Solubility of the Salt of 2-Mercaptobenzothiazole With Cyclohexylamine and Tert-Butylamine in Various Solvents at Low Temperatures: Models and Thermodynamic Parameters”
This article identifies several errors in the published paper by Wongkaew and coworkers [Fluid Phase Equilibria 434 (2017) 141-151].
Date:
February 15, 2018
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Comments on “Thermodynamic modeling studies of aqueous solubility of caffeine, gallic acid and their cocrystal in the temperature range of 303 Ke363 K”
This article comments on activity coefficients based on a thermodynamic relationship that failed to properly take into account the solid phase transition that both caffeine and gallic acid exhibited prior to melting.
Date:
February 8, 2018
Creator:
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
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
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
Quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine
Article on quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine.
Date:
February 20, 2012
Creator:
Dashtbozorgi, Zahra; Golmohammadi, Hassan & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Promoting bioanalytical concepts in genetics: A TATA box molecularly imprinted polymer as a small isolated fragment of the DNA damage repairing system
Article describes study which demonstrates that a new, stable, artificial TATA (T — thymine, A — adenine) box is recognized by amino acids recognizing the natural TATA box.
Date:
February 13, 2019
Creator:
Bartold, Katarzyna; Pietrzyk-Le, Agnieszka; Lisowski, Wojciech; Golebiewska, Karolina; Siklitskaya, Alexandra; Borowicz, Pawel et al.
Object Type:
Article
System:
The UNT Digital Library
Prediction of Partition Coeffecients and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients
Book chapter on the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.
Date:
February 10, 2012
Creator:
Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type:
Book Chapter
System:
The UNT Digital Library
Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model
This book chapter discusses the prediction of toxicity, sensory responses and biological responses with the Abraham model.
Date:
February 10, 2012
Creator:
Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type:
Book Chapter
System:
The UNT Digital Library
Tuning excited state electronic structure and charge transport in covalent organic frameworks for enhanced photocatalytic performance
Article describes how covalent organic frameworks (COFs) represent an emerging class of organic photocatalysts. The authors use reticular chemistry to construct a family of isoreticular crystalline hydrazide-based COF photocatalysts, with the optoelectronic properties and local pore characteristics of the COFs modulated using different linkers.
Date:
February 27, 2023
Creator:
Chen, Zhongshan; Wang, Jingyi; Hao, Mengjie; Xie, Yinghui; Liu, Xiaolu; Waterhouse, Geoffrey I. N. et al.
Object Type:
Article
System:
The UNT Digital Library
A theoretical study of M–M′ polar-covalent bonding in heterobimetallic multinuclear organometallic complexes of monovalent group 11 metal centres
Article describes how complexes with closed-shell (d10–d10) interactions have been studied for their interesting luminescence properties in organic light-emitting diode (OLED) devices. The present computational study aims at understanding the chemical bonding/interactions in a series of molecules with unusually short metal–metal bond distances between monovalent coinage-metal (d10–d10) centres.
Date:
February 8, 2023
Creator:
Rabaâ, Hassan; Sundholm, Dage & Omary, Mohammad A.
Object Type:
Article
System:
The UNT Digital Library
Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides
This article shows that a bilayer of 2H-MoS₂ is an orbital Hall insulator that exhibits a sizeable orbital Hall effect in the absence of both spin and valley Hall effects. The results are based on density functional theory and low-energy effective model calculations and strongly suggest that bilayers of TMDs are highly suitable platforms for direct observation of the orbital Hall insulating phase in two-dimensional materials.
Date:
February 5, 2021
Creator:
Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
Object Type:
Article
System:
The UNT Digital Library
Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K
Article presenting the calculation of the vapour pressure of organic molecules at 298.15 K using a commonly applicable computer algorithm based on the group-additivity method. The standard entropy of vaporization ΔS°vap has been determined and compared with experimental data of 1129 molecules, exhibiting excellent conformance with a correlation coefficient R2 of 0.9598, a standard error σ of 8.14 J/mol/K and a medium absolute deviation of 4.68%.
Date:
February 17, 2021
Creator:
Naef, Rudolf & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Controlled Depositions of Metal and Metal Cluster Ions by Surface Field Patterning in Soft-Landing Devices
Patent relating to controlled deposition of metal and metal cluster ions by surface field patterning in soft-landing devices.
Date:
April 19, 2011
Creator:
Verbeck, Guido F. & Davila, Stephen
Object Type:
Patent
System:
The UNT Digital Library
Graphene Magnetic Tunnel Junction Spin Filters and Methods of Making
Patent relating to methods of forming a few molecule thick graphene layer on a ferromagnetic layer, at temperatures and conditions consistent with integration with silicon-based complementary metal oxide semiconductors (Si CMOS).
Date:
May 25, 2012
Creator:
Kelber, Jeffry A. & Zhou, Mi
Object Type:
Patent
System:
The UNT Digital Library
Spatially confined protein assembly in hierarchical mesoporous metal-organic framework
Article discusses how the immobilization of biomolecules into porous materials could lead to significantly enhanced performance in terms of stability towards harsh reaction conditions and easier separation for their reuse. To gain insights into the spatial arrangement of biomolecules within the nanopores, the authors used in situ small-angle neutron scattering (SANS) to probe deuterated green fluorescent protein (d-GFP) entrapped in a mesoporous MOF.
Date:
February 21, 2023
Creator:
Wang, Xiaoliang; He, Lilin; Sumner, Jacob; Qian, Shuo; Zhang, Qiu; O'Neill, Hugh et al.
Object Type:
Article
System:
The UNT Digital Library
ALKBH7 Variant Related to Prostate Cancer Exhibits Altered Substrate Binding
This article reports a targeted search for single nucleotide polymorphisms (SNPs) and functional impact characterization of human ALKBH family dioxygenases related to prostate cancer.
Date:
September 23, 2016
Creator:
Walker, Alice R.; Silvestrov, Pavel; Müller, Tina A.; Podolsky, Robert H.; Dyson, Gregory; Hausinger, Robert P. et al.
Object Type:
Article
System:
The UNT Digital Library
Solvation Descriptors for Zwitterionic α-Aminoacids; Estimation of Water–Solvent Partition Coefficients, Solubilities, and Hydrogen-Bond Acidity and Hydrogen-Bond Basicity
This article uses the literature data on solubilities and water–solvent partition coefficients to obtain properties or “Absolv descriptors” for zwitterionic α-aminoacids: glycine, α-alanine (α-aminopropanoic acid), α-aminobutanoic acid, norvaline (α-aminopentanoic acid), norleucine (α-aminohexanoic acid), valine (α-amino-3-methylbutanoic acid), leucine (α-amino-4-methylpentanoic acid), and α-phenylalanine.
Date:
February 8, 2019
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Polycyclic Aromatic Hydrocarbon Solute Probes. Part 5: Fluorescence Spectra of Pyrene, Ovalene, Coronene, and Benzo[ghi]perylene Dissolved in Liquid Alkylammonium Thiocyanate Organic Salts
Article on polycyclic aromatic hydrocarbon solute probes and fluorescence spectra of pyrene, ovalene, coronene, and benzo[ghi]perylene dissolved in liquid alkylammonium thiocyanate organic salts.
Date:
February 24, 1989
Creator:
Street, Kenneth W.; Acree, William E. (William Eugene); Fetzer, John Charles, 1953-; Shetty, Prabhakara H. & Poole, Colin F.
Object Type:
Article
System:
The UNT Digital Library