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Surface core-level binding energy shifts for MgO(100)

Description: This article presents theoretical and experimental results for the surface core-level binding energy, BE, shifts, SCLS, for MgO(100) and the anomalous O(1s) SCLS is interpreted in terms of the surface electronic structure.
Date: July 29, 2014
Creator: Nelin, Connie J.; Uhl, Felix; Staemmler, Volker; Bagus, Paul S.; Fujimori, Yuichi; Sterrer, Martin et al.
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Partner: UNT College of Arts and Sciences
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Solubility of Anthracene in Ternary 2,2,4-Trimethylpentane + Propanol + 1-Pentanol and 2,2,4-Trimethylpentane + Butanol + 1-Pentanol Mixtures

Description: Article on the solubility of anthracene in ternary 2,2,4-trimethylpentane + propanol + 1-pentanol and 2,2,4-trimethylpentane + butanol + 1-pentanol mixtures.
Date: February 29, 2008
Creator: Blake-Taylor, Brooke H.; Martine, Beth A. & Acree, William E. (William Eugene)
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Partner: UNT College of Arts and Sciences
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Experimental and Kinetic Modeling Study of Acetylene Oxidation at High Pressure

Description: Article describing a detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure that was developed and evaluated experimentally.
Date: August 29, 2016
Creator: Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Hashemi, Hamid; Alzueta, María U.; Gao, Yide; Marshall, Paul et al.
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Partner: UNT College of Arts and Sciences
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Assembling Artificial Photosynthetic Models in Water Using β-Cyclodextrin-Conjugated Phthalocyanines as Building Blocks

Description: Article describes how two water-soluble zinc(II) phthalocyanines substituted with two or four permethylated β-cyclodextrin (β-CD) moieties at the α positions have been utilized as building blocks for the construction of artificial photosynthetic models in water. The hydrophilic and bulky β-CD moieties not only can increase the water solubility of the phthalocyanine core and prevent its stacking in water but can also bind with a tetrasulfonated zinc(II) porphyrin (ZnTPPS) and/or sodium 2-anthraq… more
Date: March 29, 2023
Creator: Chen, Xiao-Fei; Gobeze, Habtom B.; D'Souza, Francis & Ng, Dennis K. P.
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Partner: UNT College of Science
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Genetic Mutations in the S-loop of Human Glutathione Synthetase: Links Between Substrate Binding, Active Site Structure and Allostery

Description: This article uses molecular dynamics simulations and experimental point mutations to probe the role of S-loop residues in tertiary structure, substrate binding, and allosteric communication.
Date: November 29, 2018
Creator: Ingle, Brandall L.; Shrestha, Bibesh; De Jesus, Margarita C.; Conrad-Webb, Heather M.; Anderson, Mary E. & Cundari, Thomas R., 1964-
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Partner: UNT College of Science

Triplet electron transfer and spin polarization in a palladium porphyrin–fullerene conjugate

Description: This article uses Transient electron paramagnetic resonance (TREPR) spectroscopy to investigate the pathway and dynamics of electron transfer in a palladium porphyrin–fullerene donor–acceptor conjugate.
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Date: October 29, 2018
Creator: Poddutoori, Prashanth K.; Kandrashkin, Yuri E.; Obondi, Christopher O.; D'Souza, Francis & van der Est, Art
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Partner: UNT College of Science
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The transfer of neutral molecules, ions and ionic species from water to ethylene glycol and to propylene carbonate; descriptors for pyridinium cations

Description: Article on the transfer of neutral molecules, ions and ionic species from water to ethylene glycol and to propylene carbonate and descriptors for pyridinium cations.
Date: June 29, 2010
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
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Partner: UNT College of Arts and Sciences
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Role of quantum confinement and interlayer coupling in CrI3-graphene magnetic tunnel junctions

Description: Article presents a combination of first principles and quantum ballistic transport calculations to shed important insights from an atomistic viewpoint on the underlying mechanisms governing spin transport in graphene/ CrI₃ junctions.
Date: May 29, 2020
Creator: Buongiorno Nardelli, Marco; Heath, Jonathan J.; Costa, Marcio & Kuroda, Marcelo A.
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Partner: UNT College of Science
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Unsymmetric Pentacene- and Pentacenequinone-Fused Porphyrins: Understanding the Effect of Cross- and Linear-Conjugation

Description: 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
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Partner: UNT College of Science
open access

Bioinspired Synthesis of Silver Nanoparticles for the Remediation of Toxic Pollutants and Enhanced Antibacterial Activity

Description: Article asserts that this research presents a novel and environmentally friendly approach for the synthesis of multifunctional nanobiocomposites for the efficient removal of toxic heavy metal and dye, as well as the disinfection of wastewater microorganisms. The synthesized bioinspired nanocomposite KAC-CS-AgNPs could be an innovative solution for effective and sustainable wastewater treatment and has great potential for commercial applications.
Date: June 29, 2023
Creator: Mandal, Sujata; Hwang, Sangchul; Marpu, Sreekar B.; Omary, Mohammad A.; Prybutok, Victor R. & Shi, Sheldon
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Partner: UNT College of Science
open access

An experimental and modeling study on auto-ignition kinetics of ammonia/methanol mixtures at intermediate temperature and high pressure

Description: 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 repro… more
Date: April 29, 2022
Creator: Li, Mengdi; He, Xiaoyu; Hashemi, Hamid; Glarborg, Peter; Lowe, Vincent M.; Marshall, Paul et al.
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Partner: UNT College of Science
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