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Full-Text Articles in Physical Sciences and Mathematics

Numerical Investigation Of Transition Between Free Surface Flow And Pressurized Flow For A Circular Pipe Flowing Full Upstream, Tanjina Afrin, Abdul A. Khan, Nigel B. Kaye Oct 2018

Numerical Investigation Of Transition Between Free Surface Flow And Pressurized Flow For A Circular Pipe Flowing Full Upstream, Tanjina Afrin, Abdul A. Khan, Nigel B. Kaye

S.C. Water Resources Conference

The South Carolina Water Resources Conference (SCWRC) provides an integrated forum for discussion of water policies, research projects and water management in order to prepare for and meet the growing challenge of providing water resources to sustain and grow South Carolina’s economy, while preserving our natural resources.


Cooperative Planning For Source Water Protection: Targeting Sediment In The Upper Saluda River Watershed, Melanie Ruhlman, Angela Vandelay, Cindy Roper Oct 2018

Cooperative Planning For Source Water Protection: Targeting Sediment In The Upper Saluda River Watershed, Melanie Ruhlman, Angela Vandelay, Cindy Roper

S.C. Water Resources Conference

The South Carolina Water Resources Conference (SCWRC) provides an integrated forum for discussion of water policies, research projects and water management in order to prepare for and meet the growing challenge of providing water resources to sustain and grow South Carolina’s economy, while preserving our natural resources.


Supporting Coastal Resiliency By Investigating Tidal Reach And Inter-Connected Factors In Coastal Georgia, S. E. Rosenquist, C. J. Hintz Oct 2018

Supporting Coastal Resiliency By Investigating Tidal Reach And Inter-Connected Factors In Coastal Georgia, S. E. Rosenquist, C. J. Hintz

S.C. Water Resources Conference

The South Carolina Water Resources Conference (SCWRC) provides an integrated forum for discussion of water policies, research projects and water management in order to prepare for and meet the growing challenge of providing water resources to sustain and grow South Carolina’s economy, while preserving our natural resources.


Superresolution Mapping Of Energy Landscape For Single Charge Carriers In Plastic Semiconductors, Yifei Jiang, Jason Mcneill Oct 2018

Superresolution Mapping Of Energy Landscape For Single Charge Carriers In Plastic Semiconductors, Yifei Jiang, Jason Mcneill

Publications

The performance of conjugated polymer devices is largely dictated by charge transport processes. However, it is difficult to obtain a clear relationship between conjugated polymer structures and charge transport properties, due to the complexity of the structure and the dispersive nature of charge transport in conjugated polymers. Here, we develop a method to map the energy landscape for charge transport in conjugated polymers based on simultaneous, correlated charge carrier tracking and single-particle fluorescence spectroscopy. In nanoparticles of the conjugated polymer poly[9,9-dioctylfluorenyl-2,7-diyl)-co-1,4-benzo-{2,1′-3}-thiadiazole)], two dominant chain conformations were observed, a blue-emitting phase (λmax = 550 nm) and a …


Identifying Weak Interdomain Interactions That Stabilize The Supertertiary Structure Of The N-Terminal Tandem Pdz Domains Of Psd-95, Inna S. Yanez Orozco, Frank A. Mindlin, Junyan Ma, Bo Wang, Brie Levesque, Matheu Spencer, Soheila Rezaei Adariani, George Hamilton, Feng Ding, Mark E. Bowen, Hugo Sanabria Sep 2018

Identifying Weak Interdomain Interactions That Stabilize The Supertertiary Structure Of The N-Terminal Tandem Pdz Domains Of Psd-95, Inna S. Yanez Orozco, Frank A. Mindlin, Junyan Ma, Bo Wang, Brie Levesque, Matheu Spencer, Soheila Rezaei Adariani, George Hamilton, Feng Ding, Mark E. Bowen, Hugo Sanabria

Publications

Previous studies of the N-terminal PDZ tandem from PSD-95 produced divergent models and failed to identify interdomain contacts stabilizing the structure. We used ensemble and single-molecule FRET along with replica-exchange molecular dynamics to fully characterize the energy landscape. Simulations and experiments identified two conformations: an open-like conformation with a small contact interface stabilized by salt bridges, and a closed-like conformation with a larger contact interface stabilized by surface-exposed hydrophobic residues. Both interfaces were confirmed experimentally. Proximity of interdomain contacts to the binding pockets may explain the observed coupling between conformation and binding. The low-energy barrier between conformations allows submillisecond dynamics, …


E-Hooks Provide Guidance And A Soft Landing For The Microtubule Binding Domain Of Dynein, Nayere Tajielyato, Lin Li, Yunhui Peng, Joshua Alper, Emil Alexov Sep 2018

E-Hooks Provide Guidance And A Soft Landing For The Microtubule Binding Domain Of Dynein, Nayere Tajielyato, Lin Li, Yunhui Peng, Joshua Alper, Emil Alexov

Publications

Macromolecular binding is a complex process that involves sensing and approaching the binding partner, adopting the proper orientation, and performing the physical binding. We computationally investigated the role of E-hooks, which are intrinsically disordered regions (IDRs) at the C-terminus of tubulin, on dynein microtubule binding domain (MTBD) binding to the microtubule as a function of the distance between the MTBD and its binding site on the microtubule. Our results demonstrated that the contacts between E-hooks and the MTBD are dynamical; multiple negatively charted patches of amino acids on the E-hooks grab and release the same positively charged patches on the …


Identifying Weak Interdomain Interactions That Stabilize The Supertertiary Structure Of The N-Terminal Tandem Pdz Domains Of Psd-95, Inna S. Yanez Orozco, Frank A. Mindlin, Junyan Ma, Bo Wang, Brie Levesque, Matheu Spencer, Soheila Rezaei Adariani, George Hamilton, Feng Ding, Mark E. Bowen, Hugo Sanabria Sep 2018

Identifying Weak Interdomain Interactions That Stabilize The Supertertiary Structure Of The N-Terminal Tandem Pdz Domains Of Psd-95, Inna S. Yanez Orozco, Frank A. Mindlin, Junyan Ma, Bo Wang, Brie Levesque, Matheu Spencer, Soheila Rezaei Adariani, George Hamilton, Feng Ding, Mark E. Bowen, Hugo Sanabria

Publications

Previous studies of the N-terminal PDZ tandem from PSD-95 produced divergent models and failed to identify interdomain contacts stabilizing the structure. We used ensemble and single-molecule FRET along with replica-exchange molecular dynamics to fully characterize the energy landscape. Simulations and experiments identified two conformations: an open-like conformation with a small contact interface stabilized by salt bridges, and a closed-like conformation with a larger contact interface stabilized by surface-exposed hydrophobic residues. Both interfaces were confirmed experimentally. Proximity of interdomain contacts to the binding pockets may explain the observed coupling between conformation and binding. The low-energy barrier between conformations allows submillisecond dynamics, …


Rapid Screening Of Ellagitannins In Natural Sources Via Targeted Reporter Ion Triggered Tandem Mass Spectrometry, Jeremiah J. Bowers, Harsha P. Gunawardena, Anaëlle Cornu, Ashwini S. Narvekar, Antoine Richieu, Denis Deffieux, Stéphane Quideau, Nishanth Tharayil Jul 2018

Rapid Screening Of Ellagitannins In Natural Sources Via Targeted Reporter Ion Triggered Tandem Mass Spectrometry, Jeremiah J. Bowers, Harsha P. Gunawardena, Anaëlle Cornu, Ashwini S. Narvekar, Antoine Richieu, Denis Deffieux, Stéphane Quideau, Nishanth Tharayil

Publications

Complex biomolecules present in their natural sources have been difficult to analyze using traditional analytical approaches. Ultrahigh-performance liquid chromatography (UHPLC-MS/MS) methods have the potential to enhance the discovery of a less well characterized and challenging class of biomolecules in plants, the ellagitannins. We present an approach that allows for the screening of ellagitannins by employing higher energy collision dissociation (HCD) to generate reporter ions for classification and collision-induced dissociation (CID) to generate unique fragmentation spectra for isomeric variants of previously unreported species. Ellagitannin anions efficiently form three characteristic reporter ions after HCD fragmentation that allows for the classification of unknown …


A Versatile Carbon Nanotube-Based Scalable Approach For Improving Interfaces In Li-Ion Battery Electrodes, Lakshman K. Ventrapragada, Jingyi Zhu, Stephen E. Creager, Apparao M. Rao, Ramakrishna Podila Apr 2018

A Versatile Carbon Nanotube-Based Scalable Approach For Improving Interfaces In Li-Ion Battery Electrodes, Lakshman K. Ventrapragada, Jingyi Zhu, Stephen E. Creager, Apparao M. Rao, Ramakrishna Podila

Publications

Resistive interfaces within the electrodes limit the energy and power densities of a battery, for example, a Li-ion battery (LIB). Typically, active materials are mixed with conductive additives in organic solvents to form a slurry, which is then coated on current collectors (e.g., bare or carbon-coated Al foils) to reduce the inherent resistance of the active material. Although many approaches using nanomaterials to either replace Al foils or improve conductivity within the active materials have been previously demonstrated, the resistance at the current collector active material interface (CCAMI), a key factor for enhancing the energy and power densities, remains unaddressed. …


Measuring And Modeling Flow Rates In Tidal Creeks: A Case Study From The Central Coast Of South Carolina, Kathryn K. Ellis, Timothy Callahan, Dianne I. Greenfield, Denise Sanger, Joshua Robinson, Martin Jones Mar 2018

Measuring And Modeling Flow Rates In Tidal Creeks: A Case Study From The Central Coast Of South Carolina, Kathryn K. Ellis, Timothy Callahan, Dianne I. Greenfield, Denise Sanger, Joshua Robinson, Martin Jones

Journal of South Carolina Water Resources

The purpose of this study was to collect site- and condition-specific hydrology data to better understand the water flow dynamics of tidal creeks and terrestrial runoff from surrounding watersheds. In this paper, we developed mathematical models of tidal creek flow (discharge) in relation to time during a tidal cycle and also estimated terrestrial runoff volume from design storms to compare to tidal creek volumes. Currently, limited data are available about how discharge in tidal creeks behaves as a function of stage or the time of tide (i.e., rising or falling tide) for estuaries in the southeastern United States, so this …


Polycyclic Aromatic Hydrocarbons And Suspended Materials In A Semi-Urbanized Tidal Creek After An Historic Flood Event And Implications For Water Quality Monitoring, Barbara A. Beckingham, Michael Shahin, Kathryn Ellis, Timothy J. Callahan Mar 2018

Polycyclic Aromatic Hydrocarbons And Suspended Materials In A Semi-Urbanized Tidal Creek After An Historic Flood Event And Implications For Water Quality Monitoring, Barbara A. Beckingham, Michael Shahin, Kathryn Ellis, Timothy J. Callahan

Journal of South Carolina Water Resources

Tidal creeks transport both dissolved and particulate natural organic carbon materials and contaminants, connecting land-based activities with estuarine surface waters. It is important to characterize these materials in tidal creeks because it provides insights as to their origins and potential for ecosystem impacts. Surface water samples were collected from Bull Creek, Charleston, SC, a semi-urbanized tidal creek wetland, on five sampling dates from fall 2015 to spring 2016 to measure total suspended solids (TSS), turbidity, dissolved organic carbon (DOC), SUVA254 (specific absorbance as an indicator of aromaticity of DOC), and total water concentrations of polycyclic aromatic hydrocarbons (PAHs), a ubiquitous …


Journal Of South Carolina Water Resources Volume 4, Issue 1 Mar 2018

Journal Of South Carolina Water Resources Volume 4, Issue 1

Journal of South Carolina Water Resources

For the better part of 2017, South Carolina saw an improvement in drought status for many of the state’s 55 counties, with the SC Drought Response Committee reporting 28 of those in ‘incipient’ (first stage of drought) status and the remaining 17 in ‘normal’ status on November 27. With regard to major rain events, Tropical Storm Irma brought noteworthy levels of rainfall to much of the state in mid-September, as well as coastal flooding. Because of the ongoing significant weather events that continue to threaten water resources and related infrastructure, Clemson’s SC Water Resources Center held its first Summit Series …


Metallic Mxenes: A New Family Of Materials For Flexible Triboelectric Nanogenerators, Yongchang Dong, Sai Sunil Kumar Mallineni, Kathleen Maleski, Herbert Behlow, Vadym N. Mochalin, Apparao M. Rao, Yury Gogosti, Ramakrishna Podila Feb 2018

Metallic Mxenes: A New Family Of Materials For Flexible Triboelectric Nanogenerators, Yongchang Dong, Sai Sunil Kumar Mallineni, Kathleen Maleski, Herbert Behlow, Vadym N. Mochalin, Apparao M. Rao, Yury Gogosti, Ramakrishna Podila

Publications

Wearable and flexible electronics warrant the development of self-powered devices to circumvent the limitations imposed by traditional energy storage devices. Triboelectric nanogenerators (TENGs) that convert waste mechanical energy from human motion into electric power offer a solution. Highly electronegative and conducting TENG materials that support the generation of both large potential differences and high currents are imperative for effectively harvesting electric power from human muscle movements. Here, we demonstrate that two-dimensional MXenes (e.g., titanium carbide Ti3C2Tx, where Tx stands for surface functional groups such as -O, -OH, and -F) are a family of electrically conducting materials that are triboelectrically more …


A Mean-Risk Mixed Integer Nonlinear Program For Transportation Network Protection, Jie Lu, Akshay Gupte, Yongxi Huang Feb 2018

A Mean-Risk Mixed Integer Nonlinear Program For Transportation Network Protection, Jie Lu, Akshay Gupte, Yongxi Huang

Publications

This paper focuses on transportation network protection to hedge against extreme events such as earthquakes. Traditional two-stage stochastic programming has been widely adopted to obtain solutions under a risk-neutral preference through the use of expectations in the recourse function. In reality, decision makers hold different risk preferences. We develop a mean-risk two-stage stochastic programming model that allows for greater flexibility in handling risk preferences when allocating limited resources. In particular, the first stage minimizes the retrofitting cost by making strategic retrofit decisions whereas the second stage minimizes the travel cost. The conditional value-at-risk (CVaR) is included as the risk measure …


Gamma-Ray-Emitting Narrow-Line Seyfert 1 Galaxies In The Sloan Digital Sky Survey, Vaidehi S. Paliya, M. Ajello, A. Mandal, C. S. Stalin, A. Kaur, D. Hartmann Jan 2018

Gamma-Ray-Emitting Narrow-Line Seyfert 1 Galaxies In The Sloan Digital Sky Survey, Vaidehi S. Paliya, M. Ajello, A. Mandal, C. S. Stalin, A. Kaur, D. Hartmann

Publications

The detection of significant γ-ray emission from radio-loud narrow-line Seyfert 1 (NLSy1s) galaxies enables us to study jets in environments different than those in blazars. However, due to the small number of known γ-ray-emitting NLSy1 (γ-NLSy1) galaxies, a comprehensive study could not be performed. Here, we report the first detection of significant γ-ray emission from four active galactic nuclei (AGNs), recently classified as NLSy1 from their Sloan Digital Sky Survey (SDSS) optical spectrum. Three flat-spectrum radio quasars (FSRQs) present in the third Large Area Telescope AGN catalog (3LAC) are also found as γ-NLSy1 galaxies. …