Exploring NIR Aza-BODIPY-Based Polarity Sensitive Probes with ON-and-OFF Fluorescence Switching in Pluronic Nanoparticles (open access)

Exploring NIR Aza-BODIPY-Based Polarity Sensitive Probes with ON-and-OFF Fluorescence Switching in Pluronic Nanoparticles

The articles is about a study of the response of six NIR aza-BODIPY-based and structurally similar fluorophores to polarity and viscosity for incorporation inside Pluronic nanoparticles as switchable fluorescent probes (SFPs). Based on their results, all of these fluorophores were moderately to strongly sensitive to the polarity of the microenvironment. They concluded that attaching amine groups to the fluorophore is not necessary for having strong polarity sensitive probes.
Date: March 2, 2020
Creator: Saremi, Bahar; Bandi, Venugopal; Kazemi, Shahrzad; Hong, Yi; D'Souza, Francis & Yuan, Baohong
Object Type: Article
System: The UNT Digital Library
PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking (open access)

PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking

Article describes the development of a physics-based molecular force field (PMFF) by integrating a set of potential energy functions in which each term in an intermolecular potential energy function is derived based on experimental values, such as the dipole moments, lattice energy, proton transfer energy, and X-ray crystal structures.
Date: January 15, 2020
Creator: Hwang, Sung Bo; Lee, Chang Joon; Lee, Sehan; Ma, Songling; Kang, Young-Mook; Cho, Kwang-Hwi et al.
Object Type: Article
System: The UNT Digital Library
Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes (open access)

Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes

Article reports on singlet oxygen sensitization involving a class of hemiquinonoid-substituted resorcinarenes prepared from the corresponding 3,5-di-t-butyl-4-hydroxyphenyl-substituted resorcinarenes.
Date: February 18, 2020
Creator: Payne, Daniel T.; Webre, W. A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A. et al.
Object Type: Article
System: The UNT Digital Library
The genome of jojoba (Simmondsia chinensis): A taxonomically isolated species that directs wax ester accumulation in its seeds (open access)

The genome of jojoba (Simmondsia chinensis): A taxonomically isolated species that directs wax ester accumulation in its seeds

Article describes the high-quality, 887-Mb genome of jojoba assembled into 26 chromosomes with 23,490 protein-coding genes.
Date: March 11, 2020
Creator: Sturtevant, Drew; Lu, Shaoping; Zhou, Zhi-Wei; Shen, Yin; Wang, Shuo; Song, Jia-Ming et al.
Object Type: Article
System: The UNT Digital Library
Climate Metrics for C1–C4 Hydrofluorocarbons (HFCs) (open access)

Climate Metrics for C1–C4 Hydrofluorocarbons (HFCs)

This article looks at hydrofluorocarbons (HFCs) which are potent greenhouse gases that are potential substitutes for ozone depleting substances. The Kigali amendment lists 17 HFCs that are currently in commercial use to be regulated under the Montreal Protocol. Future commercial applications may explore the use of other HFCs, most of which currently lack an evaluation of their climate metrics. In this work, atmospheric lifetimes, radiative efficiencies (REs), global warming potentials (GWPs), and global temperature change potentials (GTPs) for all saturated HFCs with fewer than 5 carbon atoms are estimated to help guide future usage and policy decisions.
Date: May 11, 2020
Creator: Burkholder, James B. (James Bart), 1954-; Marshall, Paul; Bera, Partha P.; Francisco, Joseph S. & Lee, Timothy J.
Object Type: Article
System: The UNT Digital Library
[Examining the Role of Nanomaterials and Optical Sensors for Genomics Research] captions transcript

[Examining the Role of Nanomaterials and Optical Sensors for Genomics Research]

This presentation introduces the possibility of using nanomaterials and optically active sensors in genomics research. The presenter shares the history and applications of nanomaterials, introduces their research into optical-luminescent sensors and optically active plasmonic nanoparticles, and explores how they might be used in genomics. It was presented at the UNT Transdisciplinary Conference on Ancestral Genomics Research which was held virtually on November 20-21, 2020.
Date: November 21, 2020
Creator: Marpu, Sreekar
Object Type: Video
System: The UNT Digital Library
Self-reporting molecularly imprinted polymer with the covalently immobilized ferrocene redox probe for selective electrochemical sensing of p-synephrine (open access)

Self-reporting molecularly imprinted polymer with the covalently immobilized ferrocene redox probe for selective electrochemical sensing of p-synephrine

This article uses a molecularly imprinted polymer (MIP) to form a redox self-reporting MIP film-based chemosensor applied for p-synephrine determination.
Date: June 10, 2021
Creator: Lach, Patrycja; Cieplak, Maciej; Noworyta, K.; Pieta, Piotr; Lisowski, Wojciech; Kalecki, Jakub et al.
Object Type: Article
System: The UNT Digital Library
Advanced modeling of materials with PAOFLOW 2.0: New features and software design (open access)

Advanced modeling of materials with PAOFLOW 2.0: New features and software design

This article describes the recent re-design of the code and the new features and improvements in performance of PAOFLOW, a software tool that constructs tight-binding Hamiltonians from self-consistent electronic wavefunctions by projecting onto a set of atomic orbitals.
Date: September 2, 2021
Creator: Cesaroli, Frank T.; Supka, Andrew; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Sławińska, Jagoda et al.
Object Type: Article
System: The UNT Digital Library
Covalent organic framework nanofluidic membrane as a platform for highly sensitive bionic thermosensation (open access)

Covalent organic framework nanofluidic membrane as a platform for highly sensitive bionic thermosensation

Article reporting a nanofluidic membrane based on an ionic covalent organic framework (COF) that is capable of intelligently monitoring temperature variations and expressing it in the form of continuous potential differences. This article pioneers a way to explore COFs for mimicking the sophisticated signaling system observed in the nature.
Date: March 23, 2021
Creator: Zhang, Pengcheng; Chen, Sifan; Zhu, Changjia; Hou, Linxiao; Xian, Weipeng; Zuo, Xiuhui et al.
Object Type: Article
System: The UNT Digital Library
Green synthesis of olefin-linked covalent organic frameworks for hydrogen fuel cell applications (open access)

Green synthesis of olefin-linked covalent organic frameworks for hydrogen fuel cell applications

This article creates a green strategy to fabricate a highly crystalline olefin-linked pyrazine-based covalent organic framework (COF) with high robustness and porosity under solvent-free conditions. This study opens up new possibilities for the green synthesis of advanced materials and provides important guidance for the rational design and synthesis of polymeric materials for proton-exchange membrane fuel cell applications.
Date: March 31, 2021
Creator: Wang, Zhifang; Yang, Yi; Zhao, Zhengfeng; Zhang, Penghui; Zhang, Yushu; Liu, Jinjin et al.
Object Type: Article
System: The UNT Digital Library
Pyrazinacenes exhibit on-surface oxidation-state-dependent conformational and self-assembly behaviours (open access)

Pyrazinacenes exhibit on-surface oxidation-state-dependent conformational and self-assembly behaviours

This article reports pyrazinacenes containing the dihydro-decaazapentacene and dihydro-octaazatetracene chromophores and compares their properties/functions as a model case at an oxidizing metal substrate.
Date: March 10, 2021
Creator: Miklík, David; Mousavi, S. Fatemeh; Burešová, Zuzana; Middleton, Anna; Matsushita, Yoshitaka; Labuta, J. et al.
Object Type: Article
System: The UNT Digital Library
Rational design of bifunctional conjugated microporous polymers (open access)

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
A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal–organic frameworks with ultramicroporous apertures for selective gas adsorption (open access)

A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal–organic frameworks with ultramicroporous apertures for selective gas adsorption

Article presenting a novel window-space-directed assembly strategy for the synthesis of zeolitic mesoporous MOFs with ultramicroporous apertures based on supertetrahedral building units. This article provides an effective and innovative strategy and paves the way for the future design and synthesis of functional, highly connected materials for various applications.
Date: March 5, 2021
Creator: Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui et al.
Object Type: Article
System: The UNT Digital Library
Discovery of higher-order topological insulators using the spin Hall conductivity as a topology signature (open access)

Discovery of higher-order topological insulators using the spin Hall conductivity as a topology signature

This article shows a connection between spin Hall effect and HOTIs using a combination of ab initio calculations and tight-binding modeling. The model demonstrates how a non-zero bulk midgap spin Hall conductivity (SHC) emerges within the HOTI phase. This work guides novel experimental and theoretical advances towards higher-order topological insulator realization and applications.
Date: April 12, 2021
Creator: Costa, Marcio; Mera Acosta, Carlos; Padilha, Antonio C.M.; Cerasoli, Frank T.; Buongiorno Nardelli, Marco & Fazzio, Adalberto
Object Type: Article
System: The UNT Digital Library
Accelerated reliability testing of Cu-Al bimetallic contact by a micropattern corrosion testing platform for wire bond device application (open access)

Accelerated reliability testing of Cu-Al bimetallic contact by a micropattern corrosion testing platform for wire bond device application

This article presents a novel method of in-situ investigation of the device corrosion process to capture the real time mechanistic information not obtained in standard reliability testing.
Date: March 26, 2021
Creator: Ashok Kumar, Goutham Isaac; Alptekin, John; Caperton, Joshua; Salunke, Ashish & Chyan, Oliver Ming-Ren
Object Type: Article
System: The UNT Digital Library
Aggregation-induced phosphorescence sensitization in two heptanuclear and decanuclear gold–silver sandwich clusters (open access)

Aggregation-induced phosphorescence sensitization in two heptanuclear and decanuclear gold–silver sandwich clusters

This article obtains two few-atom heterometallic gold–silver hepta-/decanuclear clusters, denoted Au₆Ag and Au₉Ag, and determines their structures by X-ray diffraction and mass spectrometry.
Date: October 30, 2020
Creator: Lu, Zhou; Yang, Yu-Jie; Ni, Wen-Xiu; Li, Mian; Zhao, Yifang; Huang, Yong-Liang et al.
Object Type: Article
System: The UNT Digital Library
Anion-enhanced excited state charge separation in a spiro-locked N-heterocycle-fused push-pull zinc porphyrin (open access)

Anion-enhanced excited state charge separation in a spiro-locked N-heterocycle-fused push-pull zinc porphyrin

This article presents a new type of push–pull charge transfer complex, viz., a spiro-locked N-heterocycle-fused zinc porphyrin, ZnP-SQ, that is shown to undergo excited state charge separation, which is enhanced by axial F⁻ binding to the Zn center. Spectroelectrochemical studies are used to identify the spectra of charge separated states and charge separation upon photoexcitation of ZnP is established.
Date: February 24, 2021
Creator: Chahal, Mandeep K.; Liyanage, Anudradha; Alsaleh, Ajyal Z.; Karr, P. A.; Hill, Jonathan P. & D'Souza, Francis
Object Type: Article
System: The UNT Digital Library
Bifunctional activation of methane by bioinspired transition metal complexes. A simple methane protease model (open access)

Bifunctional activation of methane by bioinspired transition metal complexes. A simple methane protease model

Article modeling Metal-based bifunctional methane activators using density functional theory. The research yields insight into possible avenues for bio-inspired methane activators.
Date: February 15, 2021
Creator: Anderson, Mary E.; Marks, Michael B. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K (open access)

Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K

Article presenting the calculation of the vapour pressure of organic molecules at 298.15 K using a commonly applicable computer algorithm based on the group-additivity method. The standard entropy of vaporization ΔS°vap has been determined and compared with experimental data of 1129 molecules, exhibiting excellent conformance with a correlation coefficient R2 of 0.9598, a standard error σ of 8.14 J/mol/K and a medium absolute deviation of 4.68%.
Date: February 17, 2021
Creator: Naef, Rudolf & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Charge stabilization via electron exchange: excited charge separation in symmetric, central triphenylamine derived, dimethylaminophenyl–tetracyanobutadiene donor–acceptor conjugates (open access)

Charge stabilization via electron exchange: excited charge separation in symmetric, central triphenylamine derived, dimethylaminophenyl–tetracyanobutadiene donor–acceptor conjugates

This article hypothesizes and demonstrates a new mechanism to stabilize the charge separated states via the process of electron exchange among the different acceptor entities in multimodular donor–acceptor conjugates. This work constitutes the first example of stabilizing charge-separated states via the process of electron exchange.
Date: November 13, 2020
Creator: Yadav, Indresh S.; Alsaleh, Ajyal Z.; Misra, Rajneesh & D'Souza, Francis
Object Type: Article
System: The UNT Digital Library
Chemical and Genetic Studies on the Formation of Pyrrolones During the Biosynthesis of Cytochalasans (open access)

Chemical and Genetic Studies on the Formation of Pyrrolones During the Biosynthesis of Cytochalasans

This article investigates the role of the highly conserved α,β-hydrolase enzymes PyiE and ORFZ during the biosynthesis of pyrichalasin H and the ACE1 metabolite, respectively, using gene knockout and complementation techniques. Taken together the results suggest that the α,β-hydrolase enzymes are essential for first ring cyclisation, but the precise nature of the intermediates remains to be determined.
Date: November 4, 2020
Creator: Zhang, Haili; Hantke, Verena; Bruhnke, Pia; Skellam, Elizabeth & Cox, Russell J.
Object Type: Article
System: The UNT Digital Library
Development of Neutral Red as a pH/pCO2 Luminescent Sensor for Biological Systems (open access)

Development of Neutral Red as a pH/pCO2 Luminescent Sensor for Biological Systems

This article demonstrates for the first time that Neutral Red (NR) can also serve as a CO2 sensor, because of NR’s unique optical properties, which change with dissolved carbon dioxide (dCO2) concentrations. In this article optical sensitivity of NR was quantified as a function of changes in absorption and emission spectra to dCO2 in a pH 7.3 buffer medium at eight dCO2 concentrations.
Date: August 5, 2021
Creator: Ericson, Megan N.; Shankar, Sindhu K.; Chahine, Laya M.; Omary, Mohammad A.; Hunt von Herbing, Ione & Marpu, Sreekar
Object Type: Article
System: The UNT Digital Library
Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides (open access)

Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides

This article shows that a bilayer of 2H-MoS₂ is an orbital Hall insulator that exhibits a sizeable orbital Hall effect in the absence of both spin and valley Hall effects. The results are based on density functional theory and low-energy effective model calculations and strongly suggest that bilayers of TMDs are highly suitable platforms for direct observation of the orbital Hall insulating phase in two-dimensional materials.
Date: February 5, 2021
Creator: Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
Object Type: Article
System: The UNT Digital Library
Early Oxidative Transformations During the Biosynthesis of Terrein and Related Natural Products (open access)

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.
Object Type: Article
System: The UNT Digital Library