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Rational design of bifunctional conjugated microporous polymers
This article is a review discussing the rational design and synthesis of bifunctional conjugated microporous polymers (CMPs), summarizes their advanced applications, and concludes with the authors' perspectives on the research prospects of these materials.
Date:
July 22, 2021
Creator:
Song, Yanpei; Lan, Pui Ching; Martin, Kyle & Ma, Shengqian
Object Type:
Article
System:
The UNT Digital Library
Sphingolipids mediate polar sorting of PIN2 through phosphoinositide consumption at the trans-Golgi network
Article discovering a mechanism for how sphingolipids mediate phosphoinositide homeostasis at the TGN in plant cells. The data presented identifies a mode of action of sphingolipids in lipid interplay at the TGN during protein sorting.
Date:
July 13, 2021
Creator:
Ito, Yoko; Esnay, Nicolas; Platre, Matthieu Pierre; Wattelet-Boyer, Valérie; Noack, Lise C.; Fougère, Louise et al.
Object Type:
Article
System:
The UNT Digital Library
Topologically driven linear magnetoresistance in helimagnetic FeP
Article presenting a series of high magnetic field experiments on high-quality single crystals of FeP. The study shows that resistance not only increases without saturation by up to several hundred times its zero-field value by 35 T, but that it also exhibits an anomalously linear field dependence over the entire range when the field is aligned precisely along the crystallographic c-axis.
Date:
April 14, 2021
Creator:
Campbell, D.J.; Collini, J.; Sławińska, Jagoda; Autieri, C.; Wang, L.; Wang, K. et al.
Object Type:
Article
System:
The UNT Digital Library
Dual activity of anthocyanidin reductase supports the dominant plant proanthocyanidin extension unit pathway
This article presents research on genetic and biochemical analyses that shows ANR has dual activity and is involved not only in the production of (−)-epicatechin starter units but also in the formation of 2,3-cis-leucocyanidin to serve as (−)-epicatechin extension units. The results find that differences in the product specificities of ANRs account for the presence/absence of PA polymerization and the compositions of PAs across plant species
Date:
May 14, 2021
Creator:
Jun, Ji Hyung; Lu, Nan; Docampo-Palacios, Maite; Wang, Xiaoqiang & Dixon, R. A.
Object Type:
Article
System:
The UNT Digital Library
Expanding A Bilingual Trauma-Based Behavioral Health Workforce in Integrated Health Settings
Data management plan for the grant "Expanding A Bilingual Trauma-Based Behavioral Health Workforce in Integrated Health Settings."
Date:
2021-07-01/2022-06-30
Creator:
Ceballos, Peggy; Carey, Chandra Donnell; Cartwright, Angie D. & Mukherjee, Dhrubodhi
Object Type:
Text
System:
The UNT Digital Library
Optimization for Thermal Protection of Firefighter’s Glove by Phase Change Material
Data management plan for the grant "Optimization for Thermal Protection of Firefighter’s Glove by Phase Change Material." Research project investigating improvements to firefighers gloves thermal protection.
Date:
2021-07-01/2023-06-30
Creator:
Zhao, Weihuan
Object Type:
Text
System:
The UNT Digital Library
Analysis of the Fe 2p XPS for hematite 𝛂 Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings
Article analyzes the origins of the complex Fe 2p X-Ray Photoelectron Spectra (XPS) of hematite (α-Fe₂O₃) and is related to the character of the bonding in this compound. This analysis provides a new and novel view of the reasons for XPS binding energies (BEs) and BE shifts, which deepens the current understanding and interpretation of the physical and chemical significance of the XPS. This article is part of the JCP Special Topic on Oxide Chemistry and Catalysis.
Date:
January 2, 2020
Creator:
Bagus, Paul S.; Nelin, Connie J.; Brundle, C. R.; Lahiri, N.; Ilton, Eugene S. & Rosso, Kevin M.
Object Type:
Article
System:
The UNT Digital Library
Magnetic confinement of effectively unmagnetized plasma particles
Article develops a planar model for an artificially structured boundary that may provide magnetic confinement of nonmagnetically trapped plasma particles.
Date:
December 1, 2020
Creator:
Ordonez, Carlos A.
Object Type:
Article
System:
The UNT Digital Library
Prescriptions for Correcting Ultraviolet-based Redshifts for Luminous Quasars at High Redshift
This article presents near-infrared spectroscopy of 18 luminous quasars at 2.15 < z < 3.70 that allows the authors to obtain reliable systemic redshifts for these sources.
Date:
April 8, 2020
Creator:
Dix, Cooper; Shemmer, Ohad; Brotherton, Michael S.; Green, Richard F.; Mason, Michelle & Myers, Adam D.
Object Type:
Article
System:
The UNT Digital Library
An Extreme X-Ray Variability Event of a Weak-line Quasar
Article reports the discovery of an extreme X-ray flux rise (by a factor of ≳20) of the weak-line quasar Sloan Digital Sky Survey (SDSS) J153913.47+395423.4 (hereafter SDSS J1539+3954) at z = 1.935. SDSS J1539+3954 is the most-luminous object among radio-quiet type 1 active galactic nuclei (AGNs) where such dramatic X-ray variability has been observed.
Date:
February 3, 2020
Creator:
Ni, Q.; Brandt, W. N.; Yi, W.; Luo, B.; Timlin, J. D., III; Hall, P. B. et al.
Object Type:
Article
System:
The UNT Digital Library
In silico guided structural and functional analysis of genes with potential involvement in resistance to coffee leaf rust: A functional marker based approach
Article presents novel insights into the molecular nature of the SH genes, thereby opening new avenues for coffee rust resistance molecular breeding.
Date:
July 8, 2020
Creator:
Ferreira, Svio Siqueira; Barka, Geleta Dugassa; Caixeta, Eveline Teixeira & Zambolim, Larcio
Object Type:
Article
System:
The UNT Digital Library
Phononic crystal as a homogeneous viscous metamaterial
Article develops a homogenization theory, representing the low-frequency limit for a phononic crystal of cylinders embedded in a viscous fluid.
Date:
June 8, 2020
Creator:
Krokhin, Arkadii A.; Zubov, Yu.; Ibarias, M. & Arriaga, J.
Object Type:
Article
System:
The UNT Digital Library
Lipophilic signals lead to organ-specific gene expression changes in Arabidopsis seedlings
Article presents a study where whole transcriptome sequencing (RNA-seq) and differential expression analysis were used to identify early (1–3 hr) transcriptional changes induced by the exogenous treatment of NAE 18:2 and NAE 18:3 in cotyledons, roots, and seedlings.
Date:
July 15, 2020
Creator:
Cannon, Ashley E.; Yan, Chengshi; Burks, David J.; Rao, Xiaolan; Azad, Rajeev K. & Chapman, Kent Dean
Object Type:
Article
System:
The UNT Digital Library
Insertional mutagenesis of Brachypodium distachyon using the Tnt1 retrotransposable element
Article is a study exploring the possibility of using the tobacco retrotransposon Tnt1 to create a transposon-based insertion mutant population in B. distachyon.
Date:
May 15, 2020
Creator:
Serrani-Yarce, Juan C.; Nandety, Raja Sekhar; Gill, Upinder S.; Oh, Sunhee; Lee, Hee-Kyung; Zhang, Xinji et al.
Object Type:
Article
System:
The UNT Digital Library
Sc3N@Ih-C80 based donor–acceptor conjugate: role of thiophene spacer in promoting ultrafast excited state charge separation
Article reports light induced charge separation in a newly synthesized triphenylamine–thiophene-Sc₃N@Iₕ-C₈₀ donor–acceptor conjugate and its C₆₀ analog, triphenylamine–thiophene-C₆₀ conjugate, and the significance of the thiophene spacer in promoting electron transfer events.
Date:
May 27, 2020
Creator:
Gobeze, Habtom B.; D'Souza, Francis; Caballero, Rubén; Servián, Luis David; Fernandez-Delgado, Olivia; Echegoyen, Luis et al.
Object Type:
Article
System:
The UNT Digital Library
A new synthetic route for the preparation of [Os3(CO)10(μ-OH)(μ-H)] and its reaction with bis(diphenylphosphino)methane (dppm): syntheses and X-ray structures of two isomers of [Os3(CO)8(μ-OH)(μ-H)(μ-dppm)] and [Os3(CO)7(μ3-CO)(μ3-O)(μ-dppm)]
Article describes a convenient synthetic method for the preparation of the hydroxy-bridged triosmium cluster [Os₃(CO)₁₀(μ-OH)(μ-H)] along with the re-evaluation of the reaction of this cluster with dppm that has led to the isolation of a new isomer for [Os₃(CO)₈(μ-OH)(μ-H)(μ-dppm)].
Date:
December 17, 2020
Creator:
Richmond, Michael G.; Joy, Tuhinur R.; Bhoumik, Nikhil C.; Ghosh, Shishir & Kabir, Shariff E.
Object Type:
Article
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.
Object Type:
Article
System:
The UNT Digital Library
Continuum models of the electrochemical diffuse layer in electronic-structure calculations
This article presents a critical comparison of continuum diffuse-layer models that can be coupled to an atomistic first-principles description of the charged metal surface in order to account for the electrolyte screening at electrified interfaces.
Date:
August 31, 2018
Creator:
Nattino, Francesco; Truscott, Matthew; Marzari, Nicola & Andreussi, Oliviero
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
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
Influence of coherent population trapping on Raman scattering
Article considering the Raman scattering in molecular media. Applying two laser fields in a two-photon resonance with vibrational transition, the authors study the role of rotational levels for excitation of vibrational coherence. It is shown that the molecular vibrational coherence strongly depends on the effect of coherent population trapping for rotational levels. The obtained results are important for applications of Raman spectroscopy to molecular detection in engineering, chemical, and biological applications.
Date:
August 8, 2019
Creator:
Singh, Pooja; Rostovtsev, Yuri V.; Patnaik, Anil K.; Roy, Sukesh & Gord, James R.
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
Fe/GeTe(111) heterostructures as an avenue towards spintronics based on ferroelectric Rashba semiconductors
Article investigating the electronic structure of Fe/GeTe(111), a prototypical ferromagnetic/Rashba-ferroelectric interface, by performing density functional theory and Green's functions calculations complemented by x-ray photoemission spectroscopy.
Date:
February 19, 2019
Creator:
Sławińska, Jagoda; Di Sante, Domenico; Varotto, Sara; Rinaldi, Christian & Picozzi, Silvia
Object Type:
Article
System:
The UNT Digital Library
Persistent spin helix in Rashba-Dresselhaus ferroelectric CsBiNb2O7
Article reporting that CsBiNb₂O₇, a layered perovskite of Dion-Jacobson type, is a robust ferroelectric with sufficiently strong spin-orbit coupling and spin texture reversible by electric field. The study reveals that its topmost valence band's spin texture is quasi-independent from the momentum, as a result of the low symmetry of its ferroelectric phase. The peculiar spin-polarization pattern in the momentum space may yield the so-called “persistent spin helix,” a specific spin-wave mode which protects the spin from decoherence in the diffusive transport regime, potentially ensuring a very long spin lifetime in this material.
Date:
August 19, 2019
Creator:
Sławińska, Jagoda; Autieri, Carmine; Barone, Paolo & Picozzi, Silvia
Object Type:
Article
System:
The UNT Digital Library