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284 Matching Results
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Descriptors for Cyclooctasulfur: Estimation of Water−Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties
This article uses literature data on the solubility of cyclooctasulfur in a number of solvents to drive Abraham descriptors for cyclooctasulfur.
Date:
May 21, 2018
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Partition of Neutral Molecules and Ions from Water to o-Nitrophenyl Octyl Ether and of Neutral Molecules from the Gas Phase to o-Nitrophenyl Octyl Ether
This article sets out an equation for partition of 87 neutral molecules from water to o-nitrophenyl octyl ether, NPOE, an equation for partition of the 87 neutral molecules and 21 ionic species from water to NPOE, and an equation for partition of 87 neutral molecules from the gas phase to NPOE.
Date:
February 16, 2018
Creator:
Abraham, M. H. (Michael H.); Acree, William E. (William Eugene) & Liu, Xiangli
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)
System:
The UNT Digital Library
Comments Concerning “Solubility and Dissolution Thermodynamic Properties of 1,6-Bis[3-(3,5-Di-Tert-Butyl-4-Hydroxyphenyl) Propionamido]Hexane in Pure Solvents and Binary Solvent Mixtures”
This article comments on mathematical errors pertaining to published equation coefficients for the modified Apelblat and for the polynomial equation based on the Combined Jouyban-Acree and modified Apelblat models.
Date:
February 16, 2018
Creator:
Acree, William E. (William Eugene)
System:
The UNT Digital Library
Comments on "Solubility and Dissolution Thermodynamic Data of Cefpiramide in Pure Solvents and Binary Solvents"
Abstract: Errors are found in the mathematical correlation based on the combined Jouyban-Acree and Modified Apelblat model for describing the variation in the mole fraction solubility of cefpiramide with temperature and solvent composition for the binary aqueous-ethanol solvent system. The equation coefficents given by Tang and coworkers, when substituted into the model equation, do not yield the authors' calculated mole fraction solubilities of cefpiramide.
Date:
January 24, 2018
Creator:
Acree, William E. (William Eugene)
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)
System:
The UNT Digital Library
Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme
Article presenting a systematic parametrization protocol for the Self-Consistent Continuum Solvation (SCCS) model resulting in optimized parameters for 67 non-aqueous solvents. The parametrization is based on a collection of ≈6000 experimentally measured partition coefficients, which were collected in the Solv@TUM database presented here. The accuracy of the optimized SCCS model is comparable to the well-known universal continuum solvation model (SMx) family of methods, while relying on only a single fit parameter and thereby largely reducing statistical noise.
Date:
August 3, 2018
Creator:
Acree, William E. (William Eugene); Hille, Christoph; Ringe, Stefan; Deimel, Martin; Kunkel, Christian; Reuter, Karsten et al.
System:
The UNT Digital Library
The 2019 materials by design roadmap
This roadmap article presents an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed.
Date:
October 24, 2018
Creator:
Alberi, Kirstin; Buongiorno Nardelli, Marco; Zakutayev, Andriy; Mitas, Lubos; Curtarolo, Stefano; Jain, Anubhav et al.
System:
The UNT Digital Library
Synthesis of Amorphous InSb Nanowires and a Study of the Effects of Laser Radiation and Thermal Annealing on Nanowire Crystallinity
This article presents a strategy to grow amorphous InSb (a-InSb) nanowires (NWs) in a chemical vapor deposition (CVD) system.
Date:
August 9, 2018
Creator:
Algarni, Zaina; Singh, Abhay & Philipose, Usha
System:
The UNT Digital Library
A random walk version of Robbins' problem: small horizon
This article considers an analogous problem in which the observed random variables are the steps of a symmetric random walk. Assuming continuously distributed step sizes, it describes the optimal stopping rules for the cases n = 2 and n = 3 in two versions of the problem: a "full information" version in which the actual steps of the random walk are disclosed to the decision maker; and a "partial information" version in which only the relative ranks of the positions taken by the random walk are observed. When n = 3, the optimal rule and expected rank depend on the distribution of the step sizes. The authors give sharp bounds for the optimal expected rank in the partial information version, and fairly sharp bounds in the full information version.
Date:
November 17, 2018
Creator:
Allaart, Pieter C. & Allen, Andrew
System:
The UNT Digital Library
Coal Feeds My Family: Subsistence, Energy, and Industry in Central Appalachia
Article on the change in land-human relationships in Central Appalachia through the lens of the coal economy and food. The coal energy economy was not only made possible through various technological innovations in production and consumption, but also by certain social relations and political structures. In spite of the rapid disintegration of the coal economy, the popularity of the slogan “Coal Feeds My Family" still remains.
Date:
November 2018
Creator:
Aloi, M. Joseph
System:
The UNT Digital Library
Foias Numbers
This article identifies the principal features in Foias’ original proof and streamlines them into a general result. The result gives further evidence to the observation that the connection between the sequence with initial seed the Foias constant and the Prime Number Theorem must be fortuitous.
Date:
December 30, 2018
Creator:
Anghel, Nicolae
System:
The UNT Digital Library
Parametric nondifferentiable multiobjective fractional programming under (b;Ψ; Φ; ρ)-univexity
This article is concerned with optimality conditions and duality results for nondifferentiable multi-objective fractional programming problems.
Date:
September 27, 2018
Creator:
Antczak, Tadeusz & Verma, Ram U.
System:
The UNT Digital Library
Future time perspective, job satisfaction, and organizational commitment: The mediating effect of self-efficacy, hope, and vitality
This article analyzes the mediating role of self-efficacy, hope, and vitality in the relationship that future time perspective has with job satisfaction and organizational commitment.
Date:
March 8, 2018
Creator:
Arturo Cernas-Ortiza, Daniel; Mercado-Salgado, Patricia & Davis, Mark
System:
The UNT Digital Library
Plasmonically-powered hot carrier induced modulation of light emission in a two-dimensional GaAs semiconductor quantum well
Article describes an experiment in which a hot-electron-enabled route to controlling light with dissipative loss compensation in semiconductor quantum light emitters has been realized for tunable quantum optoelectronic devices via a two-species plasmon system.
Date:
December 10, 2018
Creator:
Ashalley, Eric; Gryczynski, Karol; Wang, Zhiming; Salamo, Gregory & Neogi, Arup
System:
The UNT Digital Library
Photo-Magnetic Irradiation-Mediated Multimodal Therapy of Neuroblastoma Cells Using a Cluster of Multifunctional Nanostructures
This article implements a safer and alternative multimodal therapeutic strategy involving simultaneous optical and oscillating (AC) magnetic field stimulation of a multifunctional nanocarrier system to guide neuroblastoma cell destruction.
Date:
September 29, 2018
Creator:
Atluri, Rohini; Atmaramani, Rahul; Tharaka, Gamage; McCallister, Thomas; Peng, Jian; Diercks, David et al.
System:
The UNT Digital Library
Electrochemical and Friction Characteristics of Metallic Glass Composites at the Microstructural Length-scales
This article evaluates the phase-specific electrochemical and friction characteristics of a Zr-based mtallic glass composite, which comprised roughly of 40% by volume crystalline dendrites in an amorphous matrix.
Date:
November 1, 2017
Creator:
Ayyagari, Aditya; Hasannaeimi, Vahid; Singh Arora, Harpreet & Mukherjee, Sundeep
System:
The UNT Digital Library
Corrosion, Erosion andWear Behavior of Complex Concentrated Alloys: A Review
This article presents a comprehensive view on corrosion, erosion, and wear behavior of complex concentrated alloys.
Date:
August 3, 2018
Creator:
Ayyagari, Aditya; Hasannaeimi, Vahid; Singh Grewal, Harpeet; Singh Arora, Harpreet & Mukherjee, Sundeep
System:
The UNT Digital Library
Rate Coefficient Measurements and Theoretical Analysis of the OH + (E)‑CF₃CH==CHCF₃ Reaction
Rate coefficients, k, for the gas-phase reaction of the OH radical with (E)CF3CHCHCF3 ((E)-1,1,1,4,4,4-hexafluoro-2-butene, HFO-1336mzz(E)) were measured over a range of temperatures (211−374 K) and bath gas pressures (20−300 Torr; He, N2) using a pulsed laser photolysis−laser-induced fluorescence (PLP−LIF) technique. k1(T) was independent of pressure over this range of conditions with k1(296 K) = (1.31 ± 0.15) × 10−13 cm3 molecule−1 s−1 and k1(T) = (6.94 ± 0.80) × 10−13exp[−(496 ± 10)/T] cm 3 molecule−1 s−1, where the uncertainties are 2σ, and the pre-exponential term includes estimated systematic error. Rate coefficients for the OD reaction were also determined over a range of temperatures (262−374 K) at 100 Torr (He). The OD rate coefficients were ∼15% greater than the OH values and showed similar temperature dependent behavior with k2(T) = (7.52 ± 0.44) × 10−13exp[−(476 ± 20)/T] and k2(296 K) = (1.53 ± 0.15) × 10−13 cm3 molecule−1 s−1. The rate coefficients for reaction 1 were also measured using a relative rate technique between 296 and 375 K with k1(296 K) measured to be (1.22 ± 0.1) × 10−13 cm3 molecule−1 s−1, in agreement with the PLP−LIF results. In addition, the 296 K rate coefficient for the O3 +( E)CF3CHCHCF3 reaction …
Date:
March 22, 2018
Creator:
Baasandorj, Munkhbayar; Marshall, Paul; Waterland, Robert L.; Ravishankara, A. R. & Burkholder, James B. (James Bart), 1954-
System:
The UNT Digital Library
Insights Into the Factors Influencing Student Motivation in Augmented Reality Learning Experiences in Vocational Education and Training
This article attempts to identify some of the components that positively affect student motivation in mobile augmented reality (AR) learning experiences to contribute to the design and development of motivational AR learning experiences for the Vocational Education and Training (VET) level of education.
Date:
August 21, 2018
Creator:
Bacca, Jorge; Baldiris, Silvia; Fabregat, Ramon & Kinshuk
System:
The UNT Digital Library
Information Communication Technology Use among Students in Inclusive Classroom
This article compares the leisure and school-related computer use of students in inclusive classrooms.
Date:
May 29, 2018
Creator:
Bagon, Špela; Gačnik, Mateja & Starcic, Andreja Istenic
System:
The UNT Digital Library
Game design for visually-impaired individuals: Creativity and innovation theories and sensory substitution devices influence on virtual and physical navigation skills
This article examines the design elements of three virtual reality games for functionality and transferability to orientation and mobility education for visually impaired individuals.
Date:
October 23, 2018
Creator:
Baker, Rose M.; Ramos, Karina & Turner, John
System:
The UNT Digital Library
Noncatalytic chalcone isomerase-fold proteins in Humulus lupulus are auxiliary components in prenylated flavonoid biosynthesis
This article characterizes two noncatalytic chalcone isomerase (CHI)-like proteins using engineered yeast harboring all genes required for demethylxanthohumol (DMX) production.
Date:
February 6, 2018
Creator:
Ban, Zhaonan; Qin, Hao; Mitchell, Andrew J.; Liu, Baoxiu; Zhang, Fengxia; Weng, Jing-Ke et al.
System:
The UNT Digital Library
N-Doped graphene/C₆₀ covalent hybrid as a new material for energy harvesting applications
This article systematically investigates the degree of functionalization and the key structural features of the N-G/C₆₀ hybrid by a number of techniques including thermogravimetric analysis, X-ray photoelectron and Raman spectroscopies and transmission electron and atomic force microscopies.
Date:
August 26, 2018
Creator:
Barrejón, Myriam; Arellano, Luis M.; Gobeze, Habtom B.; Gómez-Escalonilla, María J.; Fierro, Jose Luis G.; D'Souza, Francis et al.
System:
The UNT Digital Library