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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
A resonant single frequency molecular detector with high sensitivity and selectivity for gas mixtures
Article theoretically demonstrates a single low frequency gas detector that can be used for sensing of gas mixtures with high selectivity, accuracy, and sensitivity.
Date:
January 30, 2020
Creator:
Branković, Zorica & Rostovtsev, Yuri V.
Object Type:
Article
System:
The UNT Digital Library
Accuracy of long-term volunteer water monitoring data: A multiscale analysis from a statewide citizen science program
Article describes study which assesses the relative accuracy of volunteer water quality data collected by the Texas Stream Team (TST) citizen science program from 1992–2016 across the State of Texas by comparing it to professional data from corresponding stations during the same time period.
Date:
January 29, 2020
Creator:
Albus, Kelly Hibbeler; Thompson, Rudi; Mitchell, Forrest; Kennedy, James H. & Ponette-González, Alexandra G.
Object Type:
Article
System:
The UNT Digital Library
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
Proanthocyanidin Biosynthesis—a Matter of Protection
Article discussing key questions and opportunities in the field of Proanthocyanidins (PA) biosynthesis.
Date:
August 18, 2020
Creator:
Dixon, R. A. & Sarnala, Sai
Object Type:
Article
System:
The UNT Digital Library
ARABIDOPSIS DEHISCENCE ZONE POLYGALACTURONASE 1 (ADPG1) releases latent defense signals in stems with reduced lignin content
Article highlights the importance of pectin in cell wall integrity and the value of lignin modification as a tool to interrogate the informational content of plant cell walls.
Date:
January 23, 2020
Creator:
Gallego-Giraldo, Lina; Liu, Chang; Pose-Albacete, Sara; Pattathil, Sivakumar; Peralta, Angelo Gabriel; Young, Jenna et al.
Object Type:
Article
System:
The UNT Digital Library
Predation of livestock by puma (Puma concolor) and culpeo fox (Lycalopex culpaeus): numeric and economic perspectives
Article studies predation on livestock by wild carnivores in Sajama National Park (SNP), Bolivia. The authors monitored predation and other causes of livestock mortality in 33 ranches for one year and estimated biomass of livestock and wild prey and monetary losses.
Date:
2020
Creator:
Jiménez, Jaime E.; Gallardo, Giovana; Pacheco, Luis F. & Rios, Rodrigo S.
Object Type:
Article
System:
The UNT Digital Library
Testing gene-environment interactions for rare and/or common variants in sequencing association studies
Article describes study in which novel approaches to test the effects of gene-environment (GE) interactions of rare and/or common risk, and/or protective variants in sequencing association studies were developed.
Date:
March 10, 2020
Creator:
Zhao, Zihan; Zhang, Jianjun; Sha, Qiuying & Hao, Han
Object Type:
Article
System:
The UNT Digital Library
Using a Novel Approach to Estimate Packing Density and Related Electrical Resistance in Multiwall Carbon Nanotube Networks
Article using contrast image processing to estimate the concentration of multi-wall carbon nanotubes (MWCNT) in a given network.
Date:
September 25, 2020
Creator:
Philipose, Usha; Jiang, Yan; Farmer, Gavin; Howard, Chris; Harcrow, Michael; Littler, Chris et al.
Object Type:
Article
System:
The UNT Digital Library
Systemic signaling during abiotic stress combination in plants
Article reveals that plants can integrate different local and systemic signals generated during conditions of stress combination. Furthermore, results show that the specific part at which plants sense the two co-occurring stresses makes a significant difference in how fast and efficient they acclimate.
Date:
May 29, 2020
Creator:
Sengupta, Soham; Azad, Rajeev K.; Zandalinas, Sara I.; Fichman, Yosef; Devireddy, Amith R. & Mittler, Ron
Object Type:
Article
System:
The UNT Digital Library
Reactions of triosmium and triruthenium clusters with 2-ethynylpyridine: new modes for alkyne C–C bond coupling and C–H bond activation
Article investigates the reaction of the trimetallic clusters [H₂Os₃(CO)₁₀] and [Ru₃(CO)₁₀L₂] (L = CO, MeCN) with 2-ethynylpyridine.
Date:
August 19, 2020
Creator:
Richmond, Michael G.; Joy, Tuhinur R.; Roknuzzaman; Hossain, Emdad; Ghosh, Shishir; Tocher, Derek A. et al.
Object Type:
Article
System:
The UNT Digital Library
Dielectric function of six elemental metals
This article presents an accurate first-principles study of the electronic structure and absorption spectrum of six elemental metals (aluminium, gold, silver, copper, palladium, platinum) using density functional theory in an all-electron full-potential framework.
Date:
December 2020
Creator:
Pogodaeva, Maria K.; Levchenko, Sergey; Drachev, Vladimir P. & Gabitov, Ildar R.
Object Type:
Article
System:
The UNT Digital Library
Metal–Organic Frameworks for Enzyme Immobilization: Beyond Host Matrix Materials
Article reviews current research of role/function diversities of host matrix metal–organic frameworks (MOFs), noting the importance of understanding enzyme structural alternation and enzyme−MOF interaction after immobilization.
Date:
August 27, 2020
Creator:
Wang, Xiaoliang; Lan, Pui Ching & Ma, Shengqian
Object Type:
Article
System:
The UNT Digital Library
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
Formal oxo- and aza-[3 + 2] reactions of α-enaminones and quinones: a double divergent process and the roles of chiral phosphoric acid and molecular sieves
Article develops a double divergent process for the reaction of α-enaminones with quinones through facile manipulation of catalyst and additive, leading to structurally completely different products.
Date:
September 21, 2020
Creator:
Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R., 1964- & Wang, Hong
Object Type:
Article
System:
The UNT Digital Library
Electron Transfer Mediated by Iron Carbonyl Clusters Enhance Light-Driven Hydrogen Evolution in Water by Quantum Dots
This article tests an assembly consisting of CdSe quantum dots and [Fe₃Te₂(CO)₉] as a catalytic system for proton reduction in aqueous solution.
Date:
March 9, 2020
Creator:
Richmond, Michael G.; Li, Chuanshuai; Rahaman, Ahibur; Lin, Weihua; Mourad, Hassan; Meng, Jie et al.
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
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
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
Au3-to-Ag3 coordinate-covalent bonding and other supramolecular interactions with covalent bonding strength
Article describes an efficient strategy for designing charge-transfer complexes using coinage metal cyclic trinuclear complexes (CTCs).
Date:
September 11, 2020
Creator:
Lu, Zhou; Chilukuri, Bhaskar; Yang, Chi; Rawashdeh, Abdel-Monem M.; Arvapally, Ravi K.; Tekarli, Sammer M. 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
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
West Nile Virus risk and susceptibility in central California modeling dataset
The dataset was developed to support research intended to develop a spatially explicit model that explores environmental data related to the risk of exposure to West Nile Virus (WNV), and the susceptibility to WNV disease based on demographic data of the potentially affected population. The model was developed and then tested on census tracts in an identified hot spot of WNV in central California. The dataset contains (1) U.S. Census Bureau 2010 demographic data for 1,133 census tracks in the hotspot, and (2) and average mosquito habitat risk data for each of those census tracks.
Date:
February 19, 2020
Creator:
Kala, Abhishek K. & Atkinson, Samuel F.
Object Type:
Dataset
System:
The UNT Digital Library
Prioritizing riparian corridors for ecosystem restoration in urbanizing watersheds
This article explores restoration, rather than protection, being the basis for developing a watershed level strategy for improving water quality in urbanizing watersheds.This study uses a geographical information system (GIS) approach that utilizes riparian characteristics extracted from 40-meter wide corridors centered on streams and rivers. The model was applied to 90 sub-watersheds in the watershed of an important drinking water reservoir in north central Texas, USA.
Date:
February 4, 2020
Creator:
Atkinson, Samuel F. & Lake, Matthew C.
Object Type:
Article
System:
The UNT Digital Library
A Small Compound Targeting Prohibitin with Potential Interest for Cognitive Deficit Rescue in Aging mice and Tau Pathology Treatment
Article describes study analyzing the effects of a new purine derivative drug, PDD005, in attenuating mechanisms involved in the pathogenesis of neurodegenerative diseases, using both in vivo and in vitro models.
Date:
January 24, 2020
Creator:
Guyot, Anne-Cécile; Leuxe, Charlotte; Disdier, Clémence; Oumata, Nassima; Costa, Narciso; Le Roux, Gwenaëlle et al.
Object Type:
Article
System:
The UNT Digital Library
Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe
Article describes study investigating spin Hall effect (SHE) in two prototypical Ferroelectric Rashba semiconductors (FERSCs), GeTe and SnTe, and show that it can be large either in ferroelectric or paraelectric structure.
Date:
January 24, 2020
Creator:
Wang, Haihang; Gopal, Priya; Picozzi, Silvia; Curtarolo, Stefano; Buongiorno Nardelli, Marco & Sławińska, Jagoda
Object Type:
Article
System:
The UNT Digital Library