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Articles 3151 - 3180 of 24230
Full-Text Articles in Physical Sciences and Mathematics
Individual-Level Antibody Dynamics Reveal Potential Drivers Of Influenza A Seasonality In Wild Pig Populations, Kim M. Pepin, Kerri Pedersen, Xiu-Feng Wan, Fred L. Cunningham, Colleen T. Webb, Mark Q. Wilber
Individual-Level Antibody Dynamics Reveal Potential Drivers Of Influenza A Seasonality In Wild Pig Populations, Kim M. Pepin, Kerri Pedersen, Xiu-Feng Wan, Fred L. Cunningham, Colleen T. Webb, Mark Q. Wilber
United States Department of Agriculture Wildlife Services: Staff Publications
Swine are important in the ecology of influenza A virus (IAV) globally. Understanding the ecological role of wild pigs in IAV ecology has been limited because surveillance in wild pigs is often for antibodies (serosurveillance) rather than IAVs, as in humans and domestic swine. As IAV antibodies can persist long after an infection, serosurveillance data are not necessarily indicative of current infection risk. However, antibody responses to IAV infections cause a predictable antibody response, thus time of infection can be inferred from antibody levels in serological samples, enabling identification of risk factors of infection at estimated times of infection. Recent …
Monitoring Spatial And Temporal Variabilities Of Gross Primary Production Using Maiac Modis Data, Marcos Fernandez-Martinez, Rong Yu, John Gamon, Gabriel Hmimina, Iolanda Filella, Manuela Balzarolo, Benjamin Stocker, Josep Penuelas
Monitoring Spatial And Temporal Variabilities Of Gross Primary Production Using Maiac Modis Data, Marcos Fernandez-Martinez, Rong Yu, John Gamon, Gabriel Hmimina, Iolanda Filella, Manuela Balzarolo, Benjamin Stocker, Josep Penuelas
Center for Advanced Land Management Information Technologies: Publications
Remotely sensed vegetation indices (RSVIs) can be used to efficiently estimate terrestrial primary productivity across space and time. Terrestrial productivity, however, has many facets (e.g., spatial and temporal variability, including seasonality, interannual variability, and trends), and different vegetation indices may not be equally good at predicting them. Their accuracy in monitoring productivity has been mostly tested in single-ecosystem studies, but their performance in different ecosystems distributed over large areas still needs to be fully explored. To fill this gap, we identified the facets of terrestrial gross primary production (GPP) that could be monitored using RSVIs. We compared the temporal and …
Mapping The Spatial-Temporal Dynamics Of Vegetation Response Lag To Drought In A Semi-Arid Region, Li Hua, Huidong Wang, Haigang Sui, Brian Wardlow, Michael Hayes, Jianxun Wang
Mapping The Spatial-Temporal Dynamics Of Vegetation Response Lag To Drought In A Semi-Arid Region, Li Hua, Huidong Wang, Haigang Sui, Brian Wardlow, Michael Hayes, Jianxun Wang
Center for Advanced Land Management Information Technologies: Publications
Drought, as an extreme climate event, affects the ecological environment for vegetation and agricultural production. Studies of the vegetative response to drought are paramount to providing scientific information for drought risk mitigation. In this paper, the spatial-temporal pattern of drought and the response lag of vegetation in Nebraska were analyzed from 2000 to 2015. Based on the long-term Daymet data set, the standard precipitation index (SPI) was computed to identify precipitation anomalies, and the Gaussian function was applied to obtain temperature anomalies. Vegetation anomaly was identified by dynamic time warping technique using a remote sensing Normalized Difference Vegetation Index (NDVI) …
Radar Quantification, Temporal Analysis And Influence Of Atmospheric Conditions On A Roost Of American Robins (Turdus Migratorius) In Oklahoma, Matthew S. Van Den Broeke
Radar Quantification, Temporal Analysis And Influence Of Atmospheric Conditions On A Roost Of American Robins (Turdus Migratorius) In Oklahoma, Matthew S. Van Den Broeke
Department of Earth and Atmospheric Sciences: Faculty Publications
Radar observations present a way to monitor large, mobile populations across long temporal scales, and are especially valuable when individual scatterers are challenging to count visually. The focus of this study is a large and relatively homogeneous wintertime roost of American Robins (Turdus migratorius) in central Oklahoma. Radar observations are used to estimate the roost population through winter 2010–2011, and the population time series is related to weather variables and radar beam propagation. Radar-estimated roost population gradually increased to an estimated peak of 1.5–2 million individuals from November 2010 to January 2011, and then decreased in a more …
Sensitivity Of Potential Groundwater Recharge To Projected Climate Change Scenarios: A Site-Specific Study In The Nebraska Sand Hills, Usa, Zablon A. Adane, Vitaly A. Zlotnik, Nathan R. Rossman, Tiejun Wang, Paolo Nasta
Sensitivity Of Potential Groundwater Recharge To Projected Climate Change Scenarios: A Site-Specific Study In The Nebraska Sand Hills, Usa, Zablon A. Adane, Vitaly A. Zlotnik, Nathan R. Rossman, Tiejun Wang, Paolo Nasta
Department of Earth and Atmospheric Sciences: Faculty Publications
Assessing the relationship between climate forcings and groundwater recharge (GR) rates in semi-arid regions is critical for water resources management. This study presents the impact of climate forecasts on GR within a probabilistic framework in a site-specific study in the Nebraska Sand Hills (NSH), the largest stabilized sand dune region in the USA containing the greatest recharge rates within the High Plains Aquifer. A total of 19 downscaled climate projections were used to evaluate the impact of precipitation and reference evapotranspiration on GR rates simulated by using HYDRUS 1-D. The analysis of the decadal aridity index (AI) indicates that climate …
Rinded, Iron-Oxide Concretions In Navajo Sandstone Along The Trail To Upper Calf Creek Falls, Garfield County, David Loope, Richard Kettler
Rinded, Iron-Oxide Concretions In Navajo Sandstone Along The Trail To Upper Calf Creek Falls, Garfield County, David Loope, Richard Kettler
Department of Earth and Atmospheric Sciences: Faculty Publications
Concretions are hard rock masses, usually spheroidal, but commonly oblate or discoidal, that are formed by strongly localized precipitation of minerals in the pores of an otherwise weaker sedimentary rock (see Bates and Jackson, 1980, for a more extensive definition). The iron-oxide-rich concretions in the Jurassic Navajo Sandstone in southern Utah are unusual in two fundamental ways. First, they are cemented by iron oxide (Fe2O3, or Fe(OH)3); most other concretions are cemented by silica (SiO2), calcite (CaCO3), dolomite (CaMg(CO3)2), or siderite (FeCO3). Second, unlike other concretions, they are not strongly cemented throughout, but instead, the iron oxide is concentrated in …
The Origin Of Shinarump Wonderstone, Hildale, Washington County, Richard Kettler, David Loope
The Origin Of Shinarump Wonderstone, Hildale, Washington County, Richard Kettler, David Loope
Department of Earth and Atmospheric Sciences: Faculty Publications
Southern Utah’s “wonderstone” is Shinarump sandstone, variably cemented and stained with iron oxide, forming intricate patterns reminiscent of landscapes. It is cut and sold as absorbent drink coasters and decorative objects, and is seen in rock shops across the country. The wonderstone pattern comprises thick bands of iron oxide mineralization that fills pore space (referred to as iron oxide cement or IOC) and more delicate bands of iron oxide mineralization that coats sand grains but does not fill pore space (referred to as iron oxide stain or IOS) (figure 1).
The wonderstone pattern is of interest to geologists because it …
Effects Of The Sea Breeze Circulation On Soil Temperature Over Kuwait Using In Situ Observations And The Ecmwf Model, Hussain Alsarraf, Matthew V.D. Broeke, Hala Aljassar
Effects Of The Sea Breeze Circulation On Soil Temperature Over Kuwait Using In Situ Observations And The Ecmwf Model, Hussain Alsarraf, Matthew V.D. Broeke, Hala Aljassar
Department of Earth and Atmospheric Sciences: Faculty Publications
Background: The mesoscale circulation over Kuwait is an important influence on changes in surface temperatures and soil temperatures.
Introduction: This paper presents two common summertime atmospheric features over Kuwait linking wind circulation to soil temperatures.
Methods: In this study, we use the European Centre for Medium-range Weather Forecasts ECMWF reanalysis ERA-Interim dataset to investigate effects of the synoptic scale and mesoscale circulations.
Results: The results show that a large-scale pressure gradient in summer typically leads to northerly winds over Kuwait, while a weak synoptic-scale pressure gradient leads to light easterly humid winds from the Persian Gulf, consistent with a mesoscale …
Defining The Morphological Quality Of Fossil Footprints. Problems And Principles Of Preservation In Tetrapod Ichnology With Examples From The Palaeozoic To The Present, Lorenzo Marchetti, Matteo Belvedere, Sebastian Voigt, Hendrik Klein, Diego Castanera, Ignacio Díaz-Martínez, Daniel Marty, Lida Xing, Silverio Feola, Ricardo N. Melchor, James O. Farlow
Defining The Morphological Quality Of Fossil Footprints. Problems And Principles Of Preservation In Tetrapod Ichnology With Examples From The Palaeozoic To The Present, Lorenzo Marchetti, Matteo Belvedere, Sebastian Voigt, Hendrik Klein, Diego Castanera, Ignacio Díaz-Martínez, Daniel Marty, Lida Xing, Silverio Feola, Ricardo N. Melchor, James O. Farlow
Department of Earth and Atmospheric Sciences: Faculty Publications
The morphology of fossil footprints is the basis of vertebrate footprint ichnology. However, the processes acting during and after trace fossil registration which are responsible for the final morphology have never been precisely defined, resulting in a dearth of nomenclature. Therefore, we discuss the concepts of ichnotaphonomy, ichnostratinomy, taphonomy, biostratinomy, registration and diagenesis and describe the processes acting on footprint morphology. In order to evaluate the morphological quality of tetrapod footprints, we introduce the concept of morphological preservation, which is related to the morphological quality of footprints (M-preservation, acronym MP), and distinguish it from physical preservation (P-preservation, acronym PP), which …
Crustal Structure Of Mesozoic Rifting In The Northeastern Gulf Of Mexico From Integration Of Seismic And Potential Fields Data, Mei Liu, Irina Filina, Paul Mann
Crustal Structure Of Mesozoic Rifting In The Northeastern Gulf Of Mexico From Integration Of Seismic And Potential Fields Data, Mei Liu, Irina Filina, Paul Mann
Department of Earth and Atmospheric Sciences: Faculty Publications
We have investigated the crustal structure of a 400 km wide zone of thinned continental crust in the northeastern Gulf of Mexico (GOM) using gravity and magnetic modeling along two deeply penetrated seismic transects. Using this approach, we identify two zones of prominent, southward-dipping reflectors associated with 7–10 km thick, dense, and highly magnetic material. Previous workers have interpreted the zones as either coarse clastic redbeds of Mesozoic age that are tilted within half-grabens or seaward-dipping reflectors of magmatic origin. Both seismic reflection lines reveal a 10 km thick and 67 km wide northern zone of high density near the …
Diatom-Inferred Records Of Paleolimnological Variability And Continental Hydrothermal Activity In Yellowstone National Park, Usa, Sabrina Brown
Diatom-Inferred Records Of Paleolimnological Variability And Continental Hydrothermal Activity In Yellowstone National Park, Usa, Sabrina Brown
Department of Earth and Atmospheric Sciences: Dissertations, Theses, and Student Research
Fossil diatoms were used to reconstruct paleoclimatic and hydrothermal conditions in Yellowstone National Park. First, an extensive literature review summarizes the current state of knowledge about eukaryotic organisms characteristic of continental hydrothermal environments. Eukaryotes in hydrothermal systems can live at extremes of acidity (pH 9.0), and at moderately high temperatures (<62 >○C). Silicate and carbonate precipitation in continental hydrothermal environments is mediated by eukaryotic organisms, which are important members of biofilm communities.
A case study of alkaline-chloride sinter deposits in Yellowstone Lake and the Upper Geyser Basin inferred in-situ diatom growth rather than post-depositional accumulation of valves settling from …
Glycoform Analysis Of Alpha1-Acid Glycoprotein By Capillary Electrophoresis Using Electrophoretic Injection, Chenhua Zhang, William Clarke, David S. Hage
Glycoform Analysis Of Alpha1-Acid Glycoprotein By Capillary Electrophoresis Using Electrophoretic Injection, Chenhua Zhang, William Clarke, David S. Hage
David Hage Publications
Human alpha1-acid glycoprotein (AGP) is an acute phase glycoprotein that has a heterogeneous glycosylation pattern. This pattern can change in certain diseases, which has resulted in interest in using AGP glycoforms as potential biomarkers for these diseases. This report describes a method that uses capillary electrophoresis to characterize and analyze AGP glycoforms both in purified samples of AGP and in human serum. This method uses static and dynamic coatings of poly (ethylene oxide) that are applied to a silica capillary for separation of AGP glycoforms in the reversed-polarity mode of CE and in the presence of negligible electroosmotic …
Diisopropylammonium Bromide Based Two-Dimensional Ferroelectric Monolayer Molecular Crystal With Large In-Plane Spontaneous Polarization, Liang Ma, Yinglu Jia, Stephen Ducharme, Jinlan Wang, Xiao Cheng Zeng
Diisopropylammonium Bromide Based Two-Dimensional Ferroelectric Monolayer Molecular Crystal With Large In-Plane Spontaneous Polarization, Liang Ma, Yinglu Jia, Stephen Ducharme, Jinlan Wang, Xiao Cheng Zeng
Xiao Cheng Zeng Publications
In light of their easy processing, light weight and mechanical flexibility, ferroelectric molecular crystal with large spontaneous polarization (Ps) is highly desired for many advanced applications. Herein, we report the first theoretical study of two-dimensional (2D) ferroelectric molecular crystals via ab initio calculations. Specifically, we show that diisopropylammonium bromide (DIPAB) based 2D ferroelectric monolayer molecular crystal with large in-plane Ps of ∼1.5 × 10−6 μC cm−1 can be achieved by slicing the bulk DIPAB along a specific plane while keeping the space group unchanged. The important roles of hydrogen bonds are …
Phonon Order And Reststrahlen Bands Of Polar Vibrations In Crystals With Monoclinic Symmetry, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Vanya Darakchieva
Phonon Order And Reststrahlen Bands Of Polar Vibrations In Crystals With Monoclinic Symmetry, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Vanya Darakchieva
Department of Electrical and Computer Engineering: Faculty Publications
In this Rapid Communication, we present the order of the phonon modes and the appearance of the reststrahlen bands for monoclinic symmetry materials with polar lattice vibrations. Phonon modes occur in associated pairs of transverse and longitudinal optical modes, and pairs either belong to inner or outer phonon modes. Inner modes are nested within outer modes. Outer modes cause polarization-dependent reststrahlen bands. Inner modes cause polarization-independent reststrahlen bands. The directional limiting frequencies within the Born-Huang approach are bound to within outer mode frequency regions not occupied by inner mode pairs. Hence, an unusual phonon mode order can occur where both …
Longitudinal Phonon Plasmon Mode Coupling In Β-Ga2O3, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Sean Knight, Zbigniew Galazka, Günther Wagner, Virginia Wheeler, Marko Tadjer, Ken Goto, Vanya Darakchieva
Longitudinal Phonon Plasmon Mode Coupling In Β-Ga2O3, Mathias Schubert, Alyssa Mock, Rafal Korlacki, Sean Knight, Zbigniew Galazka, Günther Wagner, Virginia Wheeler, Marko Tadjer, Ken Goto, Vanya Darakchieva
Department of Electrical and Computer Engineering: Faculty Publications
In this letter, we investigate a set of n-type single crystals of monoclinic symmetry β-Ga2O3 with different free electron concentration values by generalized far infrared and infrared spectroscopic ellipsometry. In excellent agreement with our previous model prediction, we find here by experiment that longitudinal-phonon-plasmon coupled modes are polarized either within the monoclinic plane or perpendicular to the monoclinic plane. As predicted, all modes change the amplitude and frequency with the free electron concentration. The most important observation is that all longitudinal-phonon-plasmon coupled modes polarized within the monoclinic plane continuously change their direction as a function of …
Lattice Dynamics Of Orthorhombic Ndgao3, Alyssa Mock, Rafal Korlacki, Sean Knight, Megan Stokey, Alex Fritz, Vanya Darakchieva, Mathias Schubert
Lattice Dynamics Of Orthorhombic Ndgao3, Alyssa Mock, Rafal Korlacki, Sean Knight, Megan Stokey, Alex Fritz, Vanya Darakchieva, Mathias Schubert
Department of Electrical and Computer Engineering: Faculty Publications
A complete set of infrared-active and Raman-active lattice modes is obtained from density functional theory calculations for single-crystalline centrosymmetric orthorhombic neodymium gallate. The results for infrared-active modes are compared with an analysis of the anisotropic long-wavelength properties using generalized spectroscopic ellipsometry. The frequency-dependent dielectric function tensor and dielectric loss function tensor of orthorhombic neodymium gallium oxide are reported in the spectral range of 80–1200 cm−1. A combined eigendielectric displacement vector summation and dielectric displacement loss vector summation approach augmented by considerations of lattice anharmonicity is utilized to describe the experimentally determined tensor elements. All infrared-active transverse and longitudinal …
Highly Stable And Efficient All-Inorganic Lead-Free Perovskite Solar Cells With Native-Oxide Passivation, Min Chen, Ming-Gang Ju, Hector F. Garces, Alexander D. Carl, Luis K. Ono, Zafer Hawash, Yi Zhang, Tianyi Shen, Yabing Qi, Ronald L. Grimm, Domenico Pacifici, Xiao Cheng Zeng, Yuanyuan Zhou, Nitin P. Padture
Highly Stable And Efficient All-Inorganic Lead-Free Perovskite Solar Cells With Native-Oxide Passivation, Min Chen, Ming-Gang Ju, Hector F. Garces, Alexander D. Carl, Luis K. Ono, Zafer Hawash, Yi Zhang, Tianyi Shen, Yabing Qi, Ronald L. Grimm, Domenico Pacifici, Xiao Cheng Zeng, Yuanyuan Zhou, Nitin P. Padture
Chemistry Department: Faculty Publications
There has been an urgent need to eliminate toxic lead from the prevailing halide perovskite solar cells (PSCs), but the current lead-free PSCs are still plagued with the critical issues of low efficiency and poor stability. This is primarily due to their inadequate photovoltaic properties and chemical stability. Herein we demonstrate the use of the lead-free, allinorganic cesium tin-germanium triiodide (CsSn0.5Ge0.5I3) solid-solution perovskite as the light absorber in PSCs, delivering promising efficiency of up to 7.11%. More importantly, these PSCs show very high stability, with less than 10% decay in efficiency after 500 h …
Machine Learning Enabled Prediction Of Mechanical Properties Of Tungsten Disulfide Monolayer, Xinyu Wang, Dan Han, Yang Hong, Haiyi Sun, Jingzhi Zhang, Jingchao Zhang
Machine Learning Enabled Prediction Of Mechanical Properties Of Tungsten Disulfide Monolayer, Xinyu Wang, Dan Han, Yang Hong, Haiyi Sun, Jingzhi Zhang, Jingchao Zhang
Chemistry Department: Faculty Publications
One of two-dimensional transition metal dichalcogenide materials, tungsten disulfide (WS2), has aroused much research interest, and its mechanical properties play an important role in a practical application. Here the mechanical properties of h-WS2 and t-WS2 monolayers in the armchair and zigzag directions are evaluated by utilizing the molecular dynamics (MD) simulations and machine learning (ML) technique. We mainly focus on the effects of chirality, system size, temperature, strain rate, and random vacancy defect on mechanical properties, including fracture strain, fracture strength, and Young’s modulus. We find that the mechanical properties of h-WS2 surpass those of …
Molecular Insights Into Organic Particulate Formation, Manoj Kumar, Emily Burrell, Jason C. Hansen, Joseph S. Francisco
Molecular Insights Into Organic Particulate Formation, Manoj Kumar, Emily Burrell, Jason C. Hansen, Joseph S. Francisco
Chemistry Department: Faculty Publications
Carboxylic acids have been detected in particles collected in various regions of the world. Here, we use experiments and Born–Oppenheimer molecular dynamics simulations to better understand the mechanism of particle formation from gas phase mixtures of formic acid (HCOOH), (CH3)3N, and water vapor. A flow reaction cell coupled to two scanning mobility particle sizers has been used to measure particle size, absolute number of particles and kinetics of particle formation. Experimental results show that the addition of (CH3)3N to a mixture of HCOOH and water vapor results in a dramatic increase in …
Development Of A Microcolumn One-Site Immunometric Assay For A Protein Biomarker: Analysis Of Alpha1-Acid Glycoprotein In Serum, Chenhua Zhang, Shae Lott, William Clarke, David S. Hage
Development Of A Microcolumn One-Site Immunometric Assay For A Protein Biomarker: Analysis Of Alpha1-Acid Glycoprotein In Serum, Chenhua Zhang, Shae Lott, William Clarke, David S. Hage
Chemistry Department: Faculty Publications
A one-site immunometric assay based on affinity microcolumns was developed for the analysis of alpha1-acid glycoprotein (AGP) as a model protein biomarker. In this assay, a sample containing AGP was incubated with an excess amount of a labeled binding agent, such as fluorescein-labeled anti-AGP antibodies or Fab fragments. The excess binding agent was removed by passing this mixture through a microcolumn that contained an immobilized form of AGP, while the signal was measured for the binding agent-AGP complex in the non-retained fraction. Theoretical and practical factors were both considered in selecting the concentration of labeled binding agent, …
Role Of Water On The Rotational Dynamics Of The Organic Methylammonium Cation: A First Principles Analysis, Ross D. Hoehn, Joseph S. Francisco, Sabre Kais, Ali Kachmar
Role Of Water On The Rotational Dynamics Of The Organic Methylammonium Cation: A First Principles Analysis, Ross D. Hoehn, Joseph S. Francisco, Sabre Kais, Ali Kachmar
Chemistry Department: Faculty Publications
Understanding the degradation mechanisms of lead-halide perovskites (CH3NH3PbI3) under exposure to liquid/aerosol water is an essential problem within the photovoltaic community. Herein we investigate both the static and the dynamic properties of the methylammonuim cation (MA) as it coordinates with invading water molecules (MA.(H2O)n, n = 1, 2, 3, 4) using both stationary state quantum mechanics and first principle molecular dynamics simulations. Various solvation structures of MA were characterized by their stabilization energies, dipoles, and Maximally-Localized Wannier Function (MLWF) centers. Calculation – and analysis – of vibrational shifts in the …
High Initial Reversible Capacity And Long Life Of Ternary Sno2‑Co‑Carbon Nanocomposite Anodes For Lithium‑Ion Batteries, Pan Deng, Jing Yang, Shengyang Li, Tian-E Fan, Hong-Hui Wu, Yun Mou, Hui Huang, Qiaobao Zhang, Dong-Liang Peng, Baihua Qu
High Initial Reversible Capacity And Long Life Of Ternary Sno2‑Co‑Carbon Nanocomposite Anodes For Lithium‑Ion Batteries, Pan Deng, Jing Yang, Shengyang Li, Tian-E Fan, Hong-Hui Wu, Yun Mou, Hui Huang, Qiaobao Zhang, Dong-Liang Peng, Baihua Qu
Chemistry Department: Faculty Publications
The two major limitations in the application of SnO2 for lithium-ion battery (LIB) anodes are the large volume variations of SnO2 during repeated lithiation/delithiation processes and a large irreversible capacity loss during the first cycle, which can lead to a rapid capacity fade and unsatisfactory initial Coulombic efficiency (ICE). To overcome these limitations, we developed composites of ultrafine SnO2 nanoparticles and in situ formed Co(CoSn) nanocrystals embedded in an N-doped carbon matrix using a Co-based metal–organic framework (ZIF-67). The formed Co additives and structural advantages of the carbon-confined SnO2/ Co nanocomposite effectively inhibited Sn coarsening …
Detailed Characterization Of The Solution Kinetics And Thermodynamics Of Biotin, Biocytin And Haba Binding To Avidin And Streptavidin, Roberto F. Delgadillo, Timothy C. Mueser, Kathia Zaleta-Rivera, Katie A. Carnes, Jose Gonzalez-Valdez, Lawrence J. Parkhurst
Detailed Characterization Of The Solution Kinetics And Thermodynamics Of Biotin, Biocytin And Haba Binding To Avidin And Streptavidin, Roberto F. Delgadillo, Timothy C. Mueser, Kathia Zaleta-Rivera, Katie A. Carnes, Jose Gonzalez-Valdez, Lawrence J. Parkhurst
Chemistry Department: Faculty Publications
The high affinity (KD ~ 10−15 M) of biotin for avidin and streptavidin is the essential component in a multitude of bioassays with many experiments using biotin modifications to invoke coupling. Equilibration times suggested for these assays assume that the association rate constant (kon) is approximately diffusion limited (109 M-1s-1) but recent single molecule and surface binding studies indicate that they are slower than expected (105 to 107 M-1s-1). In this study, we asked whether these reactions in solution are diffusion controlled, which reaction model and thermodynamic …
Molecular Insights Into Cage Occupancy Of Hydrogen Hydrate: A Computational Study, Rui Ma, Hong Zhong, Jinxiang Liu, Jie Zhong, Youguo Yan, Jun Zhang, Jiafang Xu
Molecular Insights Into Cage Occupancy Of Hydrogen Hydrate: A Computational Study, Rui Ma, Hong Zhong, Jinxiang Liu, Jie Zhong, Youguo Yan, Jun Zhang, Jiafang Xu
Chemistry Department: Faculty Publications
Density functional theory calculations and molecular dynamics simulations were performed to investigate the hydrogen storage capacity in the sII hydrate. Calculation results show that the optimum hydrogen storage capacity is ~5.6 wt%, with the double occupancy in the small cage and quintuple occupancy in the large cage. Molecular dynamics simulations indicate that these multiple occupied hydrogen hydrates can occur at mild conditions, and their stability will be further enhanced by increasing the pressure or decreasing the temperature. Our work highlights that the hydrate is a promising material for storing hydrogen.
Brush-Arm Star Polymer Imaging Agents And Uses Thereof, Jeremiah A. Johnson, Hung Vanthanh Nguyen, Andrzej Rajca
Brush-Arm Star Polymer Imaging Agents And Uses Thereof, Jeremiah A. Johnson, Hung Vanthanh Nguyen, Andrzej Rajca
Chemistry Department: Faculty Publications
Disclosed are methods, compositions, reagents, systems, and kits to prepare nitroxide-functionalized brush-arm star polymer organic radical contrast agent (BASP-ORCA) as well as compositions and uses thereof. Various embodiments show that BASP-ORCA display unprecedented per-nitrox-ide and per-molecule transverse relaxivities for organic radical contrast agents, exceptional stability, high water solubility, low in vitro and in vivo toxicity, and long blood compartment half-life. These materials have the potential to be adopted for tumor imaging using clinical high-field 1H MRI techniques.
Nmr Metabolomics Protocols For Drug Discovery, Fatema Bhinderwala, Robert Powers
Nmr Metabolomics Protocols For Drug Discovery, Fatema Bhinderwala, Robert Powers
Chemistry Department: Faculty Publications
Drug discovery is an extremely difficult and challenging endeavor with a very high failure rate. The task of identifying a drug that is safe, selective and effective is a daunting proposition because disease biology is complex and highly variable across patients. Metabolomics enables the discovery of disease biomarkers, which provides insights into the molecular and metabolic basis of disease and may be used to assess treatment prognosis and outcome. In this regard, metabolomics has evolved to become an important component of the drug discovery process to resolve efficacy and toxicity issues, and as a tool for precision medicine. A detailed …
Reversible Mechanical Deformations Of Soft Microchannel Networks For Sensing In Soft Robotic Systems, Abhiteja Konda, Donghee Lee, Taesun You, Xiaoyan Wang, Sangjin Ryu, Stephen Morin
Reversible Mechanical Deformations Of Soft Microchannel Networks For Sensing In Soft Robotic Systems, Abhiteja Konda, Donghee Lee, Taesun You, Xiaoyan Wang, Sangjin Ryu, Stephen Morin
Chemistry Department: Faculty Publications
Microfluidics has enabled numerous applications in, for example, analytical chemistry, medical diagnostics, microelectronics, and soft robotics. In most of these applications, the geometries of the microchannels are of fixed dimensions that (ideally) remain invariant during operation. In soft robotics, however, the geometries of the microchannels contained in soft actuation systems are inherently dynamic, and the specific dimensions are expected to change during operation, and, by extension, the fluid transport properties of the system are variable. If this characteristic is not properly considered, or if methods are not developed to control it, the progress of soft robotic devices with distributed fluid …
Growth Of Carbon Dioxide Whiskers, Avinash Kumar Both, Chin Li Cheung
Growth Of Carbon Dioxide Whiskers, Avinash Kumar Both, Chin Li Cheung
Chemistry Department: Faculty Publications
We report the growth of carbon dioxide (CO2) whiskers at low temperatures (–70 °C to –65 °C) and moderate pressure (4.4 to 1.0 bar). Their axial growth was assessed by optical video analysis. The identities of these whiskers were confirmed as CO2 solids by Raman spectroscopy. A vapor– solid growth mechanism was proposed based on the influence of the relative humidity on the growth.
High Energy Product Of Mnbi By Field Annealing And Sn Alloying, Wenyong Zhang, Balamurugan Balasubramanian, Parashu Kharel, Rabindra Pahari, Shah R. Valloppilly, Xingzhong Li, Lanping Yue, Ralph Skomski, David J. Sellmyer
High Energy Product Of Mnbi By Field Annealing And Sn Alloying, Wenyong Zhang, Balamurugan Balasubramanian, Parashu Kharel, Rabindra Pahari, Shah R. Valloppilly, Xingzhong Li, Lanping Yue, Ralph Skomski, David J. Sellmyer
Nebraska Center for Materials and Nanoscience: Faculty Publications
Permanent-magnet materials are one cornerstone of today’s technology, abundant in disk drives, motors, medical equipment, wind gen- erators, and cars. A continuing challenge has been to reconcile high permanent-magnet performance with low raw-material costs. This work reports a Mn-Bi-Sn alloy exclusively made from inexpensive elements, exhibiting high values of Curie-temperature, magnetization, anisotropy, coercivity, and energy product. The samples are produced by field annealing of rapidly quenched Sn-containing MnBi alloys, where the improvement of the magnetic properties is caused by the substitutional occupancy of the 2c sites in the hexagonal NiAs structure by Sn. The substitution modifies the electronic structure of …
High Energy Product Of Mnbi By Field Annealing And Sn Alloying, Wenyong Zhang, Balamurugan Balasubramanian, Parashu Kharel, Rabindra Pahari, Shah R. Valloppilly, Xingzhong Li, Lanping Yue, Ralph Skomski, David J. Sellmyer
High Energy Product Of Mnbi By Field Annealing And Sn Alloying, Wenyong Zhang, Balamurugan Balasubramanian, Parashu Kharel, Rabindra Pahari, Shah R. Valloppilly, Xingzhong Li, Lanping Yue, Ralph Skomski, David J. Sellmyer
Nebraska Center for Materials and Nanoscience: Faculty Publications
Permanent-magnet materials are one cornerstone of today’s technology, abundant in disk drives, motors, medical equipment, wind generators, and cars. A continuing challenge has been to reconcile high permanent-magnet performance with low raw-material costs. This work reports a Mn-Bi-Sn alloy exclusively made from inexpensive elements, exhibiting high values of Curie-temperature, magnetization, anisotropy, coercivity, and energy product. The samples are produced by field annealing of rapidly quenched Sn-containing MnBi alloys, where the improvement of the magnetic properties is caused by the substitutional occupancy of the 2c sites in the hexagonal NiAs structure by Sn. The substitution modifies the electronic structure of the …