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Abraham Solvation Parameter Model: Prediction of Enthalpies of Vaporization and Sublimation of Mono-Methyl Branched Alkanes Using Measured Gas Chromatographic Data
Article determines Abraham model L solute descriptors for 174 additional mono-methyl branched alkanes based on published linear-programmed gas chromatographic retention indices.
Date:
June 18, 2020
Creator:
Liu, Grace; Eddula, Shrika; Jiang, Carina; Huang, Jennifer; Tirumala, Priya; Xu, Angelina et al.
System:
The UNT Digital Library
Anomalous thermo-osmotic conversion performance of ionic covalent-organic-framework membranes in response to charge variations
Authors of the article systematically investigated how the membrane charge populations affect permselectivity by decoupling their effects from the impact of the pore structure using a multivariate strategy for constructing covalent-organic-framework membranes. The complex interplay between pore-pore interactions in response to charge variations for ion transport across the upscaled nanoporous membranes helps explain the obtained results. This study has far-reaching implications for the rational design of ionic membranes to augment energy extraction rather than intuitively focusing on achieving high densities.
Date:
June 13, 2022
Creator:
Xian, Weipeng; Zuo, Xiuhui; Zhu, Changjia; Guo, Qing; Meng, Qing-Wei; Zhu, Xincheng et al.
System:
The UNT Digital Library
Approaching Bounded Rationality: From Quantum Probability to Criticality
This article discusses the decision-making model (DMM), a paradigmatic instance of criticality, which deals with bounded rationality issues in a similar way as quantum probability (QP), generating choices that cannot be accounted by classical probability (CP). This work may contribute to considering criticality as another possible fundamental pillar in order to improve the understanding of cognition and of quantum mechanics.
Date:
June 13, 2021
Creator:
Tonello, Lucio & Grigolini, Paolo
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
System:
The UNT Digital Library
Badly approximable points on self-affine sponges and the lower Assouad dimension
This article highlights a connection between Diophantine approximation and the lower Assouad dimension by using information about the latter to show that the Hausdorff dimension of the set of badly approximable points that lie in certain non-conformal fractals, known as self-affine sponges, is bounded below by the dynamical dimension of these fractals. The results, which are the first to advance beyond the conformal setting, encompass both the case of Sierpiński sponges/carpets (also known as Bedford–McMullen sponges/carpets) and the case of Barański carpets.
Date:
June 20, 2017
Creator:
Das, Tushar; Fishman, Lior; Simmons, David & Urbański, Mariusz
System:
The UNT Digital Library
Bioinspired Synthesis of Silver Nanoparticles for the Remediation of Toxic Pollutants and Enhanced Antibacterial Activity
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
System:
The UNT Digital Library
Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates
Article prepares and characterizes a small series of new [FeFe]-ase biomimics which contain a ferrocenyl diphosphine as a surrogate for the Fe₄S₄ moiety in the H-cluster of the enzyme. Mechanistic details of both proton reduction and H₂ oxidation have been studied by DFT allowing speculative reaction schemes to be developed.
Date:
June 6, 2022
Creator:
Orton, Georgia R. F.; Ghosh, Shishir; Alker, Lucy; Sarker, Jagodish C.; Pugh, David; Richmond, Michael G. et al.
System:
The UNT Digital Library
Black Hole Growth Is Mainly Linked to Host-galaxy Stellar Mass Rather Than Star Formation Rate
This article investigates the dependence of black hole accretion rate (BHAR) on host-galaxy star formation rate (SFR) and stellar mass in the CANDELS/GOODS-South field in the redshift range of 0.5 ⩽ z < 2.0.
Date:
June 15, 2017
Creator:
Yang, G.; Chen, C. -T. J.; Vito, F.; Brandt, William Nielsen; Alexander, David M.; Luo, Bin et al.
System:
The UNT Digital Library
Calculation of Five Thermodynamic Molecular Descriptors by Means of a General Computer Algorithm Based on the Group-Additivity Method: Standard Enthalpies of Vaporization, Sublimation and Solvation, and Entropy of Fusion of Ordinary Organic Molecules and Total Phase-Change Entropy of Liquid Crystals
This article presents the calculation of the standard enthalpies of vaporization, sublimation and solvation of organic molecules using a common computer algorithm on the basis of a group-additivity method.
Date:
June 25, 2017
Creator:
Naef, Rudolf & Acree, William E. (William Eugene)
System:
The UNT Digital Library
CancerNet: a unified deep learning network for pan‑cancer diagnostics
Article states that despite remarkable advances in cancer research, cancer remains one of the leading causes of death worldwide. The author's proposed framework for cancer diagnostics detects cancers and their tissues of origin using a unified model of cancers encompassing 33 cancers represented in The Cancer Genome Atlas. Their model exploits the learned features of different cancers reflected in the respective dysregulated epigenomes, holding a great promise in early cancer detection.
Date:
June 13, 2022
Creator:
Gore, Steven & Azad, Rajeev K.
System:
The UNT Digital Library
Cardiorespiratory physiological phenotypic plasticity in developing air-breathing anabantid fishes (Betta splendens and Trichopodus trichopterus)
This article discusses development plasticity of cardiorespiratory physiology in two air-breathing anabantid fishes.
Date:
June 16, 2017
Creator:
Mendez-Sanchez, Jose F. & Burggren, Warren W.
System:
The UNT Digital Library
Closed-form expressions for the magnetic fields of rectangular and circular finite-length solenoids and current loops
This article discusses closed-form expressions for the magnetic fields produced by rectangular- and circular-shaped finite-length solenoids and current loops. The closed-form expression for the magnetic field of a rectangular-shaped finite-length solenoid is derived using the Biot–Savart law. Closed-form expressions for the magnetic fields of solenoids and current loops can be used to avoid approximations in analytical models and may reduce computation time in computer simulations.
Date:
June 15, 2020
Creator:
Hampton, S.; Lane, R. A.; Hedlof, R. M.; Phillips, R. E. & Ordonez, Carlos A.
System:
The UNT Digital Library
Code Comparison in Galaxy-scale Simulations with Resolved Supernova Feedback: Lagrangian versus Eulerian Methods
Authors of the article present a suite of high-resolution simulations of an isolated dwarf galaxy using four different hydrodynamical codes: Gizmo, Arepo, Gadget, and Ramses. They find reasonable agreement on the time-averaged star formation rates as well as the joint density–temperature distributions between all codes.
Date:
June 16, 2023
Creator:
Hu, Chia-Yu; Smith, Matthew C.; Teyssier, Romain; Bryan, Greg L.; Verbeke, Robbert; Emerick, Andrew et al.
System:
The UNT Digital Library
Combining semi-synthesis with plant and microbial biocatalysis: new frontiers in producing a chemical arsenal against cancer
This article demonstrates the methods of semi-synthesis and biocatalysis that can be used as modules in succession and in different combinations to produce 6,8-dibromogenkwanin, a derivative of the anticancer natural product apigenin.
Date:
June 4, 2018
Creator:
Gary, Samuel; Adegboye, Janet; Popp, Brian; Cocuron, Jean-Christophe; Woodrum, Brooklyn & Kovinich, Nik
System:
The UNT Digital Library
Commentary on “Experimental Measurements and Equilibrium Study of Functional D-Sorbitol in Good and Anti-Solvent Binary Mixtures”
This article provides a commentary on the published equation coefficients for mathematically describing the solubility behavior of D-sorbitol in binary acetonitrile + ethanol solvent mixtures using the modified Apelblat, Combined Nearly Ideal Binary Solvent/Redlich-Kister (CNIBS/R-K) and Jouyban-Acree models.
Date:
June 17, 2017
Creator:
Acree, William E. (William Eugene)
System:
The UNT Digital Library
Commentary on “Studies on Molar Volume, Dielectric Properties and Refractive Indices of Cyanex 923 + Benzene/Xylene at 300 K”
This article provides a commentary on Redlich-Kister equation coefficients for binary benzene + cyanex 923 and xylene + cyanex 923.
Date:
June 21, 2017
Creator:
Acree, William E. (William Eugene)
System:
The UNT Digital Library
Computational investigation of O₂ diffusion through an intra-molecular tunnel in AlkB; influence of polarization on O₂ transport
This article discusses the use of computational simulations to investigate possible migration pathways inside AlkB for O₂ molecules.
Date:
June 3, 2017
Creator:
Torabifard, Hedieh & Cisneros, Gerardo Andrés
System:
The UNT Digital Library
Computational Study of Methane C–H Activation by Main Group and Mixed Main Group–Transition Metal Complexes
This article presents density functional theory (DFT) research where nine different molecules, each with different combinations of A (triel) and E (divalent metal) elements, were reacted to effect methane C–H activation.
Date:
May 26, 2020
Creator:
Carter, Carly C. & Cundari, Thomas R., 1964-
System:
The UNT Digital Library
Cooperative bi-exponential decay of dye emission coupled via plasmons
This article demonstrates that the relaxation in the sub-radiant system leads to the population of the sub-radiant states by dephasing the super-radiant Dicke states giving rise to the bi-exponential decay in agreement with the experiments.
Date:
June 22, 2018
Creator:
Lyvers, David P.; Moazzezi, Mojtaba; de Silva, Vashista C.; Brown, Dean P.; Urbas, Augustine M.; Rostovtsev, Yuri V. et al.
System:
The UNT Digital Library
Developmental Physiology: Grand Challenges
Article indicating directions in which the field of Developmental Physiology might move. It suggests three categories of challenges: demonstrating broad relevance, promoting conceptual advances, and improving experimental approaches.
Date:
June 10, 2021
Creator:
Burggren, Warren W.
System:
The UNT Digital Library
Developmental plasticity of cardiac anoxia-tolerance in juvenile common snapping turtles ( Chelydra serpentina)
Article describes study which tested the hypothesis that developmental hypoxia alters cardiomyocyte physiology in a manner that protects the heart from hypoxic stress.
Date:
June 6, 2019
Creator:
Ruhr, Ilan M.; McCourty, Heather; Bajjig, Afaf; Crossley, Dane A., II; Shiels, Holly A. & Galli, Gina L. J.
System:
The UNT Digital Library
Dioxygen: What Makes This Triplet Diradical Kinetically Persistent?
This article examines experimental heats of formation and enthalpies obtained from G4 calculations to find that the resonance stabilization of the two unpaired electrons in triplet O₂, relative to the unpaired electrons in two hydroxyl radicals, amounts to 100 kcal/mol.
Date:
June 14, 2017
Creator:
Borden, Weston T.; Hoffmann, Roald; Stuyver, Thijs & Chen, Bo
System:
The UNT Digital Library
Early Oxidative Transformations During the Biosynthesis of Terrein and Related Natural Products
This article combines heterologous expression and in vitro studies to show that the flavin-dependent monooxygenase (FMO) TerC catalyzes the initial oxidative decarboxylation of 6-HM. The results demonstrate that the biosynthetic pathways of terrein and related(polychlorinated) congeners diverge after oxidative decarboxylation of the lactone precursor that is catalyzed by a conserved FMO and further indicate that early dehydration of the side chain is an essential step.
Date:
June 11, 2021
Creator:
Kahlert, Lukas; Bernardi, Darlon; Hauser, Maurice; Lóca, Laura P.; Berlinck, Roberto G. S.; Skellam, Elizabeth et al.
System:
The UNT Digital Library
Elucidating the multifunctional role of the cell wall components in the maize exploitation
Article on the composition of the four cell wall fractions in diverse maize genotypes and to understand how this composition influences the resistance to pests, ethanol capacity and digestibility. Results evidence that there is no maize cell wall ideotype among the tested for optimal performance for various uses, and maize plants should be specifically bred for each particular application.
Date:
June 2, 2021
Creator:
López-Malvar, Ana; Malvar, Rosa Ana; Souto, Xose Carlos; Gomez, Leonardo Dario; Simister, Rachael; Encina, Antonio et al.
System:
The UNT Digital Library