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1,123 Matching Results
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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
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
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
Solubility, Correlation, Dissolution Thermodynamics and Preferential Solvation of Meloxicam in Aqueous Mixtures of 2-Propanol
Article studying solid-liquid equilibrium of meloxicam in {2-propanol + water} mixtures at several temperatures as a contribution to preformulation studies of homogeneous liquid pharmaceutical dosage forms based on this drug.
Date:
May 18, 2021
Creator:
Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
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
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
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
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
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
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
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
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
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
Henry’s law constants (IUPAC Recommendations 2021)
Article presenting a consistent set of recommendations to express the proportionality coefficient, “Henry’s law constant” of Henry's law.
Date:
December 13, 2021
Creator:
Sander, Rolf; Acree, William E. (William Eugene); De Visscher, Alex; Schwartz, Stephen E. & Wallington, Timothy J.
Object Type:
Article
System:
The UNT Digital Library
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
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
Generation of transgenic zebrafish with 2 populations of RFP- and GFP-labeled thrombocytes: analysis of their lipids
Article analyzing the lipids in transgenic zebrafish. Separating RFP+ and GFP+ thrombocytes from the GloFli fish developed here led to the analysis of their lipid composition.DiI-labeled liposomes with similar PE and PC concentrations found in RFP+ thrombocytes explained DiI labeling of thrombocytes.
Date:
July 23, 2018
Creator:
Fallatah, Weam; De Silva, Imesha W.; Verbeck, Guido F. & Jagadeeswaran, Pudur
Object Type:
Article
System:
The UNT Digital Library
AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids
Article introducing the quasiharmonic approximation three-phonon method to calculate the thermodynamic properties of both nonmetallic and metallic compounds. This study demonstrates that QHA3P is an ideal framework for the high-throughput prediction of finite-temperature material properties, combining the accuracy of QHA with the computational efficiency of SC-QHA.
Date:
July 8, 2019
Creator:
Nath, Pinku; Usanmaz, Demet; Hicks, David; Oses, Corey; Fornari, Marco; Buongiorno Nardelli, Marco et al.
Object Type:
Article
System:
The UNT Digital Library
Revisiting surface core-level shifts for ionic compounds
Article establishing a theoretical method which is able to relate the binding energy shifts to the electronic structure of a material. In order to establish such a methodology, the CaO(100) surface to bulk core-level binding energy shifts are studied with Hartree-Fock and density-functional theory methods using both cluster and periodic slab models.
Date:
September 12, 2019
Creator:
Bagus, Paul S.; Nelin, Connie J.; Zhao, Xunhua; Levchenko, Sergey V.; Davis, Earl; Weng, Xuefei et al.
Object Type:
Article
System:
The UNT Digital Library
Atomic layer deposition of h-BN(0001) multilayers on Ni(111) and chemical vapor deposition of graphene on h-BN(0001)/Ni(111)
Article studying atomic layer deposition. In situ direct, epitaxial growth of multilayers of hexagonal boron nitride (h-BN) and graphene without physical transfer is of significant interest for the scalable production of graphene/h-BN heterostructures for device applications. Deposition on magnetic substrates is of particular interest for spin tunneling applications. X-ray photoelectron spectroscopy and low energy electron diffraction demonstrate epitaxial atomic-layer deposition (ALD) of multilayer h-BN(0001) on Ni(111) and subsequent deposition of azimuthally-aligned multilayer graphene on h-BN(0001)/Ni(111) by chemical vapor deposition. Boron nitride ALD was accomplished with alternating cycles of BCl₃/NH₃ at a 600 K substrate temperature, and subsequent annealing in ultrahigh vacuum. Subsequent deposition of graphene was achieved by chemical vapor deposition using ethylene (CH₂CH₂) at 1000 K.
Date:
September 17, 2019
Creator:
Kelber, Jeffry A.; Jones, Jessica; Pilli, Aparna; Lee, Veronica; Beatty, John; Beauclair, Brock et al.
Object Type:
Article
System:
The UNT Digital Library
Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar)
Article presenting cc-pV(n+d)Z correlation consistent basis sets of double- through quintuple-ζ quality for the atoms Al-Ar that have been modified for use with density functional theory (DFT). These basis set modifications include truncation of high-angular momentum basis functions, recontraction of the s- and p-functions, and reoptimization of basis function exponents with generalized gradient approximation and hybrid-DFT functionals. The effects of basis set truncation, recontraction, and reoptimization are shown to improve convergence behavior in atomic energies as well as dissociation energies and enthalpies of formation.
Date:
June 8, 2019
Creator:
Mahler, Andrew; Determan, John J. & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Cluster embedding of ionic systems: Point charges and extended ions
This article presents a detailed analysis of the orbital energies of a representative cluster model of a high spin metal oxide, FeO, that has been made to determine the importance of different embedding schemes to represent the extended oxide crystal. The embedding of cluster models of oxides with point charges and with extensions of the embedding which take into account the spatial extent of the cations is examined with an emphasis on the consequences of this embedding for the relative ionization and excitation energies that are measured in core-level spectroscopies.
Date:
May 1, 2019
Creator:
Bagus, Paul S.; Sassi, Michael J. & Rosso, Kevin M.
Object Type:
Article
System:
The UNT Digital Library
Polarization in electrostatics and circuits: Computing and visualizing surface charge distributions
Article describing an algorithm or computing the detailed surface charge distributions in equilibrium electrostatic situations and in steady-state DC circuits, and discuss the results of the computations of surface charge distributions for several systems.
Date:
December 14, 2018
Creator:
Chabay, Ruth & Sherwood, Bruce
Object Type:
Article
System:
The UNT Digital Library
Atomic layer deposition of BN as a novel capping barrier for B2O3
Article demonstrating in situ deposition of BN by sequential BCl₃/NH₃ reactions at 600 K on two different oxidized boron substrates: (a) B₂O₃ deposited using BCl₃/H₂O ALD on Si at 300 K (“B₂O₃/Si”) and (b) a boron-silicon oxide formed by sequential BCl₃/O₂ reactions at 650 K on SiO₂ followed by annealing to 1000 K (“B-Si-oxide”). The data presented demonstrates that ultrathin BN films deposited by BCl₃/NH₃ ALD are promising candidates for passivation of boron oxide used in shallow doping applications.
Date:
June 5, 2019
Creator:
Kelber, Jeffry A.; Pilli, Aparna; Jones, Jessica; Chugh, Natasha; Pasquale, Frank & LaVoie, Adrien
Object Type:
Article
System:
The UNT Digital Library