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Articles 61 - 90 of 180

Full-Text Articles in Biochemistry, Biophysics, and Structural Biology

Incorporating Oxygen Isotopes Of Oxidized Reactive Nitrogen In The Regional Atmospheric Chemistry Mechanism, Version 2 (Icoin-Racm2), Wendell W. Walter, Masayuki Takeuchi, Nga L. Ng, Meredith G. Hastings Jun 2024

Incorporating Oxygen Isotopes Of Oxidized Reactive Nitrogen In The Regional Atmospheric Chemistry Mechanism, Version 2 (Icoin-Racm2), Wendell W. Walter, Masayuki Takeuchi, Nga L. Ng, Meredith G. Hastings

Faculty Publications

The oxygen isotope anomaly (Δ17O = δ17O − 0.52 × δ18O > 0) has proven to be a robust tool for probing photochemical cycling and atmospheric formation pathways of oxidized reactive nitrogen (NOy). Several studies have developed modeling techniques to implicitly model Δ17O of NOy molecules based on numerous assumptions that may not always be valid. Thus, these models may be oversimplified and limit our ability to compare model Δ17O values of NOy with observations. In this work, we introduce a novel method for explicitly tracking Δ …


Novel Tetrazolium-Based Colorimetric Assay For Helicase Nsp13 In Sars-Cov-2, Triet M. Pham, Morgan G. Howard, Shane M. Carey, Lindsey R. Baker, Edward L. D'Antonio May 2024

Novel Tetrazolium-Based Colorimetric Assay For Helicase Nsp13 In Sars-Cov-2, Triet M. Pham, Morgan G. Howard, Shane M. Carey, Lindsey R. Baker, Edward L. D'Antonio

Natural Sciences Faculty Publications

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a human pathogenic virus that encodes for a helicase (SC2Hel) that is essential for viral replication. SC2Hel has the ability to unravel dsRNA or dsDNA in an NTP-dependent manner from the 5′ to 3′ directionality. The standard helicase assay from studies involving SARS-CoV and SARS-CoV-2 have relied on the concept of fluorescence resonance energy transfer. Adding to the collection of helicase assays, herein, we have developed a novel tetrazolium-based colorimetric assay system for the detection of ADP that is produced via SC2Hel activity. This SC2Hel assay combines three enzyme-coupled steps involving the …


Development Of An Experimentally Validated Computational Fluid Dynamics Model For A Pbi Membrane-Based Anhydrous Hcl Electrolyzer, Kris Likit-Anurak, Hunter R. Teel, Ishwor Karki, Ben I. Howard, Brian C. Benicewicz, Sirivatch Shimpalee, Benjamin H. Meekins May 2024

Development Of An Experimentally Validated Computational Fluid Dynamics Model For A Pbi Membrane-Based Anhydrous Hcl Electrolyzer, Kris Likit-Anurak, Hunter R. Teel, Ishwor Karki, Ben I. Howard, Brian C. Benicewicz, Sirivatch Shimpalee, Benjamin H. Meekins

Faculty Publications

We report the development of an experimentally-validated computational fluid dynamics (CFD) model for simulation of an anhydrous HCl electrolyzer. The experimental data from 3 membrane variants was used to provide kinetic and membrane parameters for the model. The model not only accurately simulates overall electrolyzer performance, but it also provides key insights into the transport phenomena within the electrolyzer. The model allows simulation of experimental parameters like high HCl flowrates and increased cell pressure that pose a high safety risk to researchers. The model shows hotspots in the temperature distribution that will need to be addressed by flow field modification …


Incorporating Solvent Effects In Dft: Insights From Cation Exchange In Faujasites, An T. Ta, Ayoub Daouli, R. Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agnès Grandjean, Richard G. Hennig, Hans Conrad Zur Loye, Michael Badawi, Simon R. Phillpot May 2024

Incorporating Solvent Effects In Dft: Insights From Cation Exchange In Faujasites, An T. Ta, Ayoub Daouli, R. Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agnès Grandjean, Richard G. Hennig, Hans Conrad Zur Loye, Michael Badawi, Simon R. Phillpot

Faculty Publications

Zeolites are versatile materials renowned for their extra-framework cation exchange capabilities, with applications spanning diverse fields, including nuclear waste treatment. While detailed experimental characterization offers valuable insight, density functional theory (DFT) proves particularly adept at investigating ion exchange in zeolites, owing to its atomic and electronic resolution. However, the prevalent occurrence of zeolitic ion exchange in aqueous environments poses a challenge to conventional DFT modeling, traditionally conducted in a vacuum. This study seeks to enhance zeolite modeling by systematically evaluating predictive differences across varying degrees of aqueous solvent inclusion. Specifically focusing on monovalent cation exchange in Na-X zeolites, we explore …


Structural Homology Of Mite Profilins To Plant Profilins Is Not Indicative Of Allergic Cross-Reactivity, Andrea O'Malley, Sahana Sankaran, Avery Carriuolo, Kriti Khatri, Krzysztof Kowal, Maksymilian Chruszcz Ph.D. Apr 2024

Structural Homology Of Mite Profilins To Plant Profilins Is Not Indicative Of Allergic Cross-Reactivity, Andrea O'Malley, Sahana Sankaran, Avery Carriuolo, Kriti Khatri, Krzysztof Kowal, Maksymilian Chruszcz Ph.D.

Faculty Publications

Structural and allergenic characterization of mite profilins has not been previously pursued to a similar extent as plant profilins. Here, we describe structures of profilins originating from Tyrophagus putrescentiae (registered allergen Tyr p 36.0101) and Dermatophagoides pteronyssinus (here termed Der p profilin), which are the first structures of profilins from Arachnida. Additionally, the thermal stabilities of mite and plant profilins are compared, suggesting that the high number of cysteine residues in mite profilins may play a role in their increased stability. We also examine the cross-reactivity of plant and mite profilins as well as investigate the relevance of these profilins …


Discovery Of Strong 3-Nitro-2-Phenyl-2h-Chromene Analogues As Antitrypanosomal Agents And Inhibitors Of Trypanosoma Cruzi Glucokinase, Shane M. Carey, Destiny M. O’Neill, Garrett B. Conner, Julian Sherman, Ana Rodriguez, Edward L. D'Antonio Apr 2024

Discovery Of Strong 3-Nitro-2-Phenyl-2h-Chromene Analogues As Antitrypanosomal Agents And Inhibitors Of Trypanosoma Cruzi Glucokinase, Shane M. Carey, Destiny M. O’Neill, Garrett B. Conner, Julian Sherman, Ana Rodriguez, Edward L. D'Antonio

Natural Sciences Faculty Publications

Chagas disease is one of the world’s neglected tropical diseases, caused by the human pathogenic protozoan parasite Trypanosoma cruzi. There is currently a lack of effective and tolerable clinically available therapeutics to treat this life-threatening illness and the discovery of modern alternative options is an urgent matter. T. cruzi glucokinase (TcGlcK) is a potential drug target because its product, D-glucose-6-phosphate, serves as a key metabolite in the pentose phosphate pathway, glycolysis, and gluconeogenesis. In 2019, we identified a novel cluster of TcGlcK inhibitors that also exhibited anti-T. cruzi efficacy called the 3-nitro-2-phenyl-2H-chromene analogues. This was achieved by performing a target-based …


Hgs-3 The Influence Of A Tandem Cycling Program In The Community On Physical And Functional Health, Therapeutic Bonds, And Quality Of Life For Individuals And Care Partners Coping With Parkinson’S Disease, Leila Djerdjour, Jennifer L. Trilk Apr 2024

Hgs-3 The Influence Of A Tandem Cycling Program In The Community On Physical And Functional Health, Therapeutic Bonds, And Quality Of Life For Individuals And Care Partners Coping With Parkinson’S Disease, Leila Djerdjour, Jennifer L. Trilk

SC Upstate Research Symposium

Purpose Statement: Several studies have shown that aerobic exercise can have a positive impact on alleviating symptoms experienced by individuals with Parkinson's disease (PD). Despite this evidence, the potential benefits of exercise for both PD patients and their care partners (PD dyad) remain unexplored. This research project investigates the effectiveness, therapeutic collaborations, and physical outcomes of a virtual reality (VR) tandem cycling program specifically designed for PD dyads.

Methods: Following approval from the Prisma Health Institutional Review Board, individuals with PD were identified and screened by clinical neurologists. The pre-testing measures for PD dyads (N=9) included emotional and cognitive status …


Broad-Spectrum Lignin-Based Adhesives Using Thiol–Silyl Ether Crosslinkers, Yishayah Bension, Siteng Zhang, Tristan Menninger, Ting Ge, Chuanbing Tang Apr 2024

Broad-Spectrum Lignin-Based Adhesives Using Thiol–Silyl Ether Crosslinkers, Yishayah Bension, Siteng Zhang, Tristan Menninger, Ting Ge, Chuanbing Tang

Faculty Publications

Lignin is a renewable feedstock that is abundant and inexpensive but still presents challenges for its valorization. In this work, we converted functionalized lignin into broad-spectrum adhesives using thiol–silyl ether crosslinkers. The curing behavior of adhesives was investigated via rheology of their resin forms. These materials exhibit good adhesion on diverse substrates, including wood, glass, steel, aluminium, carbon fiber, and different plastics, with the most adhesion strength in the range of 1–3 MPa. These adhesives were also explored for applications, ranging from wet conditions to different mechanically responsive materials. The mechanism of adhesion was further examined to understand the bonding …


Characterization Of Rna Binding Proteins Regulating Axonal Localization Of Prenyl-Cdc42 Mrna, Ashley I. Loomis Apr 2024

Characterization Of Rna Binding Proteins Regulating Axonal Localization Of Prenyl-Cdc42 Mrna, Ashley I. Loomis

Senior Theses

Following traumatic injury, axons in the peripheral nervous system (PNS) can spontaneously regenerate, albeit rather slowly. This regeneration requires messenger RNA (mRNA)-localization into and translation within the axons. One such mRNA originates from the CDC42 gene, which produces two mRNA splice variants: Prenyl-CDC42 and Palm-CDC42 encoding mRNAs. CDC42 promotes axon growth and regeneration by regulating actin filament polymerization in growth cones of axons. This plays an important role to support nerve regeneration in humans. The prenyl-Cdc42 mRNA is found in both central nervous system (CNS) and PNS axons, where it can be locally translated into CDC42 protein, which is subsequently …


Unimer Suppression Enables Supersaturated Homopolymer Swollen Micelles With Long-Term Stability After Glassy Entrapment, Eric R. Williams, Christian X. Ruff, Morgan Stefik Feb 2024

Unimer Suppression Enables Supersaturated Homopolymer Swollen Micelles With Long-Term Stability After Glassy Entrapment, Eric R. Williams, Christian X. Ruff, Morgan Stefik

Faculty Publications

Micelle sizes are critical for a range of applications where the simple ability to adjust and lock in specific stable sizes has remained largely elusive. While micelle swelling agents are well-known, their dynamic re-equilibration in solution implies limited stability. Here, a non-equilibrium processing sequence is studied where supersaturated homopolymer swelling is combined with glassy-core (“persistent”) micelles. This path-dependent process was found to sensitively depend on unimer concentration as revealed by DLS, SAXS, and TEM analysis. Here, lower-selectivity solvent combinations led to the formation of unimer-homopolymer aggregates and eventual precipitation, reminiscent of anomalous micellization. In contrast, higher-selectivity solvents enabled supersaturated homopolymer …


Unimer Suppression Enables Supersaturated Homopolymer Swollen Micelles With Long-Term Stability After Glassy Entrapment, Eric R. Williams, Christian X. Ruff, Morgan Stefik Feb 2024

Unimer Suppression Enables Supersaturated Homopolymer Swollen Micelles With Long-Term Stability After Glassy Entrapment, Eric R. Williams, Christian X. Ruff, Morgan Stefik

Faculty Publications

Micelle sizes are critical for a range of applications where the simple ability to adjust and lock in specific stable sizes has remained largely elusive. While micelle swelling agents are well-known, their dynamic re-equilibration in solution implies limited stability. Here, a non-equilibrium processing sequence is studied where supersaturated homopolymer swelling is combined with glassy-core (“persistent”) micelles. This path-dependent process was found to sensitively depend on unimer concentration as revealed by DLS, SAXS, and TEM analysis. Here, lower-selectivity solvent combinations led to the formation of unimer-homopolymer aggregates and eventual precipitation, reminiscent of anomalous micellization. In contrast, higher-selectivity solvents enabled supersaturated homopolymer …


Identification Of Regulatory Elements In The Untranslated Regions Of Streptolysin S Associated Gene A Messenger Rna From Group A Streptococcus, Cameron R. Carroll, Sara G. Nibar, Alexis S. Brown, Lauren R. Angello, Gabriela C. Pérez-Alvarado, Brian M. Lee Jan 2024

Identification Of Regulatory Elements In The Untranslated Regions Of Streptolysin S Associated Gene A Messenger Rna From Group A Streptococcus, Cameron R. Carroll, Sara G. Nibar, Alexis S. Brown, Lauren R. Angello, Gabriela C. Pérez-Alvarado, Brian M. Lee

Journal of the South Carolina Academy of Science

Streptococcus pyogenes, also known as group A Streptococcus (GAS), is a human pathogen associated with a variety of diseases such as strep throat, scarlet fever, toxic shock syndrome, and necrotizing fasciitis. One of the virulence factors released by GAS during an invasive infection is a cytotoxic peptide, streptolysin S (SLS), which inhibits the immune response to necrotizing fasciitis. The streptolysin S associated gene A product, SagA, is modified to produce SLS. Thesag operon includes sagA and the genes required for enzyme-mediated post-translational modifications of SagA and the export of SLS. The sagA gene is contained within the pleiotropic …


The Multifunctional Catalytic Hemoglobin Fromamphitrite Ornata: Protocols On Isolation, Taxonomic Identification, Protein Extraction, Purification, And Characterization, Anna L. Husted, Lauren A. Presnar, R. Kevin Blackburn, Joseph L. Staton, Stephen A. Borgiani, Edward L. D'Antonio Jan 2024

The Multifunctional Catalytic Hemoglobin Fromamphitrite Ornata: Protocols On Isolation, Taxonomic Identification, Protein Extraction, Purification, And Characterization, Anna L. Husted, Lauren A. Presnar, R. Kevin Blackburn, Joseph L. Staton, Stephen A. Borgiani, Edward L. D'Antonio

Natural Sciences Faculty Publications

The multifunctional catalytic hemoglobin from the terebellid polychaete Amphitrite ornata, also named dehaloperoxidase (AoDHP), utilizes the typical oxygen transport function in addition to four observed activities involved in substrate oxidation. The multifunctional ability of AoDHP is presently a rare observation, and there exists a limitation for how novel dehaloperoxidases can be identified from macrobenthic infauna. In order to discover more infaunal DHP-bearing candidates, we have devised a facilitated method for an accurate taxonomic identification that places visual and molecular taxonomic approaches in parallel. Traditional visual taxonomic species identification by the non-specialist, at least for A. ornata or even for other …


Identification Of A Small Regulatory Rna Usps Associated With The Universal Stress Protein In Lactobacillus Species, Zarah M. Fowler, Sasha S. Bronovitskiy, Finn K. Rose, Brian M. Lee Aug 2023

Identification Of A Small Regulatory Rna Usps Associated With The Universal Stress Protein In Lactobacillus Species, Zarah M. Fowler, Sasha S. Bronovitskiy, Finn K. Rose, Brian M. Lee

Journal of the South Carolina Academy of Science

The gut microbiome is a complex habitat with many bacterial species, each playing crucial roles in regulating various physiological processes in the body. As the use of probiotics to combat human disease continues to increase, it is important to understand the mechanisms by which probiotic bacteria regulate their interactions with other bacteria and their host. Our exploration of the physiological functions of probiotic bacteria hopes to elucidate the role of small regulatory RNA (sRNA) in regulating gene expression within the microbiome. The goal of this project was to characterize the structure and function of the sRNA, UspS, which is found …


The Sound Of Geological Targets On Mars From The Absolute Intensity Of Laser-Induced Sparks Shock Waves, C. Alvarez-Llamas, J. Laserna, J. Moros, P. Purohit, L. García-Gómez, S. M. Angel Ph.D., P. Bernardi, B. Bousquet, A. Cadu, E. Dauson, O. Forni, T. Fouchet, O. Gasnault, X. Jacob, G. Lacombe, N. L. Lanza, C. Larmat, J. Lasue, R. D. Lorenz, P. Y. Meslin, D. Mimoun, F. Montmessin, N. Murdoch, A. M. Ollila, P. Pilleri, N. Randazzo, A. L. Reyes-Newell, S. Schröder, A. Stott, J. Ten Cate, A. Udry, D. Vogt Jul 2023

The Sound Of Geological Targets On Mars From The Absolute Intensity Of Laser-Induced Sparks Shock Waves, C. Alvarez-Llamas, J. Laserna, J. Moros, P. Purohit, L. García-Gómez, S. M. Angel Ph.D., P. Bernardi, B. Bousquet, A. Cadu, E. Dauson, O. Forni, T. Fouchet, O. Gasnault, X. Jacob, G. Lacombe, N. L. Lanza, C. Larmat, J. Lasue, R. D. Lorenz, P. Y. Meslin, D. Mimoun, F. Montmessin, N. Murdoch, A. M. Ollila, P. Pilleri, N. Randazzo, A. L. Reyes-Newell, S. Schröder, A. Stott, J. Ten Cate, A. Udry, D. Vogt

Faculty Publications

Inspection of geological material is one of the main goals of the Perseverance rover during its journey across the landscape of the Jezero crater in Mars. NASA's rover integrates SuperCam, an instrument capable of performing standoff characterization of samples using a variety of techniques. Among those tools, SuperCam can perform laser-induced breakdown spectroscopy (LIBS) studies to elucidate the chemical composition of the targets of interest. Data from optical spectroscopy can be supplemented by simultaneously-produced laser-produced plasma acoustics in order to expand the information acquired from the probed rocks thanks to the SuperCam's microphone (MIC) as it can be synchronized with …


Mutating Tetur02g09850 Originated From Spider Mites To Enhance Crystallization, Hayley Cash Apr 2023

Mutating Tetur02g09850 Originated From Spider Mites To Enhance Crystallization, Hayley Cash

Senior Theses

This study aimed to explain and adequately utilize several common biochemical laboratory techniques to mutate a portion of the nucleic acid sequence within a specific protein. This protein, referred to as Tetur02g09850 is originated from Tetranychus Urticae, or the Two-Spotted Spider Mite. This mite causes excessive damage to crops and is known to be extremely resistant to most common pesticides. For this reason, understanding the protein structure could be used to explain this acaricide resistance and aid in the development of more effective pesticides. Some of the testing utilized was site-directed mutagenesis, IMAC and gel filtration for protein purification, gel …


Traffic Lights For Catalysis: Stimuli-Responsive Molecular And Extended Catalytic Systems, Grace C. Thaggard, Johanna Haimeri, Roland A. Fischer Prof. Dr., Kyoung Chul Park, Natalia B. Shustova Prof. Dr. Mar 2023

Traffic Lights For Catalysis: Stimuli-Responsive Molecular And Extended Catalytic Systems, Grace C. Thaggard, Johanna Haimeri, Roland A. Fischer Prof. Dr., Kyoung Chul Park, Natalia B. Shustova Prof. Dr.

Faculty Publications

The advances made in the field of stimuli-responsive catalysis during the last five years with a focus on the novel recently-emerged directions and applications have been surveyed. Metal-free catalysts and organometallic complexes, as well as biomimetic systems and extended structures, which display switchable catalytic activity for a variety of organic transformations, are discussed. Light-activated systems comprised of photochromic molecules capable of modulating reaction rate, yield, or enantioselectivity based on geometric and electronic changes associated with photoisomerization are the focus of the detailed discussion. Alternative stimuli, including pH and temperature, which could be applied either alone or in combination with light, …


Enhanced Structural Control Of Soft-Templated Mesoporous Inorganic Thin Films By Inert Processing Conditions, Maximilliano Jesus Jara Fornerod, Alberto Alvarez-Fernandez, Eric R. Williams, Miximillian W.A. Skoda, Beatriz Prieto-Simon, Nicolas H. Voelcker, Morgan Stefik, Marc-Oliver Coppens, Stefan Guldin Dec 2022

Enhanced Structural Control Of Soft-Templated Mesoporous Inorganic Thin Films By Inert Processing Conditions, Maximilliano Jesus Jara Fornerod, Alberto Alvarez-Fernandez, Eric R. Williams, Miximillian W.A. Skoda, Beatriz Prieto-Simon, Nicolas H. Voelcker, Morgan Stefik, Marc-Oliver Coppens, Stefan Guldin

Faculty Publications

Mesoporous thin films are widely used for applications in need of high surface area and efficient mass and charge transport properties. A well-established fabrication process involves the supramolecular assembly of organic molecules (e.g., block copolymers and surfactants) with inorganic materials obtained by sol-gel chemistry. Typically, subsequent calcination in air removes the organic template and reveals the porous inorganic network. A significant challenge for such coatings is the anisotropic shrinkage due to the volume contraction related to solvent evaporation, inorganic condensation, and template removal, affecting the final porosity as well as pore shape, size, arrangement, and accessibility. Here, we show that …


3,6-Dimethoxyxanthone From 2,2’,4,4’- Tetrahydroxy-Benzophenone Via Microwave-Assisted Annulation, Sarah E. Knisely, Faith R. Rosario, Salem F. Gebeyehu, Paige E. Heiple, Robert E. Lee Sr Oct 2022

3,6-Dimethoxyxanthone From 2,2’,4,4’- Tetrahydroxy-Benzophenone Via Microwave-Assisted Annulation, Sarah E. Knisely, Faith R. Rosario, Salem F. Gebeyehu, Paige E. Heiple, Robert E. Lee Sr

Journal of the South Carolina Academy of Science

Xanthones are tricyclic aromatic compounds that have multiple pharmacological uses due to their anti-tumor, antioxidant, anti-inflammatory, anti-bacterial, and potentially chemopreventive properties. The target of this research was to optimize a two-step synthesis of 3,6-dimethoxyxanthone (3) from 2,2’,4,4’-tetrahydroxy-benzophenone (1) via microwave-assisted (200 °C, 30-40 min., 150 W) sodium acetate-catalyzed annulation. The product, 3,6-dihydroxyxanthone (2), was then methylated to (3) using dimethyl sulfate (DMS) and sodium carbonate in acetone at reflux. The product yields were 93% (>99% purity) for (2) and 94% (>99% purity) for (3). Characterization was accomplished using 1H NMR, FTIR, melting point, TLC, HPLC, and GCMS. …


Direct Measurement Of Stokes–Einstein Diffusion Of Cowpea Mosaic Virus With 19 Μs-Resolved Xpcs, Kacper Switalski, Jingyu Fang, Luxi Li, Miaoqi Chu, Erik Sarnello, Pete Jemian, Tao Li, Qian Wang, Qingteng Zhang Oct 2022

Direct Measurement Of Stokes–Einstein Diffusion Of Cowpea Mosaic Virus With 19 Μs-Resolved Xpcs, Kacper Switalski, Jingyu Fang, Luxi Li, Miaoqi Chu, Erik Sarnello, Pete Jemian, Tao Li, Qian Wang, Qingteng Zhang

Faculty Publications

Brownian motion of Cowpea mosaic virus (CPMV) in water was measured using small-angle X-ray photon correlation spectroscopy (SA-XPCS) at 19.2 mu s time resolution. It was found that the decorrelation time tau(Q) = 1/DQ(2) up to Q = 0.091 nm(-1). The hydrodynamic radius R-H determined from XPCS using Stokes-Einstein diffusion D = kT/(6 pi eta R-H) is 43% larger than the geometric radius R-0 determined from SAXS in the 0.007 M K3PO4 buffer solution, whereas it is 80% larger for CPMV in 0.5 M NaCl and 104% larger in 0.5 M (NH4)(2)SO4, a possible effect of aggregation as well as …


Compositionally And Density Stratified Igneous Terrain In Jezero Crater, Mars, Roger C. Wiens, Arya Udry, Olivier Beyssac, Cathy Quantin-Nataf, Nicolas Mangold, Agnès Cousin, Lucia Mandon, Tanja Bosak, Olivier Forni, Scott M. Mclennan, Violaine Sautter, Adrian Cousin, Karim Benzerara, Jeffrey R. Johnson, Lisa Mayhew, Sylvestre Maurice, Ryan B. Maurice, Ryan B. Anderson, Samuel M. Clegg, Larry Crumpler, Stanley M. Angel Aug 2022

Compositionally And Density Stratified Igneous Terrain In Jezero Crater, Mars, Roger C. Wiens, Arya Udry, Olivier Beyssac, Cathy Quantin-Nataf, Nicolas Mangold, Agnès Cousin, Lucia Mandon, Tanja Bosak, Olivier Forni, Scott M. Mclennan, Violaine Sautter, Adrian Cousin, Karim Benzerara, Jeffrey R. Johnson, Lisa Mayhew, Sylvestre Maurice, Ryan B. Maurice, Ryan B. Anderson, Samuel M. Clegg, Larry Crumpler, Stanley M. Angel

Faculty Publications

Before Perseverance, Jezero crater's floor was variably hypothesized to have a lacustrine, lava, volcanic airfall, or aeolian origin. SuperCam observations in the first 286 Mars days on Mars revealed a volcanic and intrusive terrain with compositional and density stratification.The dominant lithology along the traverse is basaltic, with plagioclase enrichment in stratigraphically higher locations. Stratigraphically lower, layered rocks are richer in normative pyroxene. The lowest observed unit has the highest inferred density and is olivine-rich with coarse (1.5 millimeters) euhedral, relatively unweathered grains, suggesting a cumulate origin. This is the first martian cumulate and shows similarities to martian meteorites, which also …


Invited Perspective: Existing Rules For Disinfection By-Products Are Good, But They Are Not Enough, Susan D. Richardson Aug 2022

Invited Perspective: Existing Rules For Disinfection By-Products Are Good, But They Are Not Enough, Susan D. Richardson

Faculty Publications

No abstract provided.


Author Correction: In Situ Recording Of Mars Soundscape (Nature, (2022), 605, 7911, (653-658), 10.1038/S41586-022-04679-0), S. Maurice, B. Chide, N. Murdoch, R. D. Lorenz, D. Mimoun, R. C. Wiens, A. Stott, X. Jacob, T. Bertrand, F. Montmessin, N. L. Lanza, C. Alvarez-Llamas, S. M. Angel Ph.D., M. Aung, J. Balaram, O. Beyssac, A. Cousin, G. Delory, O. Forni, T. Fouchet, O. Gasnault, H. Grip, M. Hecht, J. Hoffman, J. Laserna, J. Lasue, J. Maki, J. Mcclean, P. Y. Meslin, S. Le Mouélic, S. Le Mouélic, A. Munguira Jul 2022

Author Correction: In Situ Recording Of Mars Soundscape (Nature, (2022), 605, 7911, (653-658), 10.1038/S41586-022-04679-0), S. Maurice, B. Chide, N. Murdoch, R. D. Lorenz, D. Mimoun, R. C. Wiens, A. Stott, X. Jacob, T. Bertrand, F. Montmessin, N. L. Lanza, C. Alvarez-Llamas, S. M. Angel Ph.D., M. Aung, J. Balaram, O. Beyssac, A. Cousin, G. Delory, O. Forni, T. Fouchet, O. Gasnault, H. Grip, M. Hecht, J. Hoffman, J. Laserna, J. Lasue, J. Maki, J. Mcclean, P. Y. Meslin, S. Le Mouélic, S. Le Mouélic, A. Munguira

Faculty Publications

In the version of this article initially published, the Acknowledgements statement was missing the text “Part of this research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration (80NM0018D0004),” which has now been inserted in the HTML and PDF versions of the article.


Structure-Property Investigations In Urea Tethered Iodinated Triphenylamines, Muhammad Saddam Hossain, Fiaz Ahmed, Stavros G. Karakalos, Mark D. Smith, Namrata Pant, Sophya V. Garashchuk, Andrew B, Greytak, Pablo Docampo, Linda S. Shimizu Jul 2022

Structure-Property Investigations In Urea Tethered Iodinated Triphenylamines, Muhammad Saddam Hossain, Fiaz Ahmed, Stavros G. Karakalos, Mark D. Smith, Namrata Pant, Sophya V. Garashchuk, Andrew B, Greytak, Pablo Docampo, Linda S. Shimizu

Faculty Publications

Herein, we report structural, computational, and conductivity studies on urea-directed self-assembled iodinated triphenylamine (TPA) derivatives. Despite numerous reports of conductive TPAs, the challenges of correlating their solid-state assembly with charge transport properties hinder the efficient design of new materials. In this work, we compare the assembled structures of a methylene urea bridged dimer of di-iodo TPA (1) and the corresponding methylene urea di-iodo TPA monomer (2) with a di-iodo mono aldehyde (3) control. These modifications lead to needle shaped crystals for 1 and 2 that are organized by urea hydrogen bonding, π⋯π stacking, I⋯I, and I⋯π interactions as determined by …


Luminescence And Scintillation In The Niobium Doped Oxyfluoride Rb4Ge5O9F6:Nb, Darren Carone, Vladislav V. Klepov, Scott T. Misture, Joseph C. Schaeperkoetter, Luiz G. Jacobsohn, Mina Aziziha, Juliano Schorne-Pinto, Stuart A. J. Thomson, Adrian T. Hines, Theodore M. Besmann, Hans Conrad Zur Loye Jun 2022

Luminescence And Scintillation In The Niobium Doped Oxyfluoride Rb4Ge5O9F6:Nb, Darren Carone, Vladislav V. Klepov, Scott T. Misture, Joseph C. Schaeperkoetter, Luiz G. Jacobsohn, Mina Aziziha, Juliano Schorne-Pinto, Stuart A. J. Thomson, Adrian T. Hines, Theodore M. Besmann, Hans Conrad Zur Loye

Faculty Publications

A new niobium-doped inorganic scintillating oxyfluoride, Rb4Ge5O9F6:Nb, was synthesized in single crystal form by high-temperature flux growth. The host structure, Rb4Ge5O9F6, crystallizes in the orthorhombic space group Pbcn with lattice parameters a = 6.98430(10) Å, b = 11.7265(2) Å, and c = 19.2732(3) Å, consisting of germanium oxyfluoride layers made up of Ge3O9 units connected by GeO3F3 octahedra. In its pure form, Rb4Ge5O9F6 shows neither luminescence nor scintillation but when doped …


Highly Swellable Hydrogels Prepared From Extensively Oxidized Lignin, Jihyeon Hwang, Daniella V. Martinez, Estevan J. Martinez, Gift Metavarayuth, Dustin Goodlett, Qi Wang, Mitra Ganewatta, Michael S. Kent, Chuanbing Tang Jun 2022

Highly Swellable Hydrogels Prepared From Extensively Oxidized Lignin, Jihyeon Hwang, Daniella V. Martinez, Estevan J. Martinez, Gift Metavarayuth, Dustin Goodlett, Qi Wang, Mitra Ganewatta, Michael S. Kent, Chuanbing Tang

Faculty Publications

Biopolymers such as lignin are gaining renewed appeal due to the need for sustainable materials. Herein, we used chelator-mediated Fenton (CMF) chemistry to oxidize Kraft lignin to develop sustainable super absorbent materials. The CMF chemistry adds oxygen, opens aromatic rings and increases COOH content, producing hydrophilic lignin without depolymerization. UV absorption, molecular weight, elemental analysis, and titration were used to study the chemical compositions of CMF-processed lignin. Then the chemically modified hydrophilic lignin was used to produce lignin-based hydrogels utilizing an aqueous polymerization and cross-linking reaction that enabled tunable properties. The resulting lignin hydrogels absorbed water up to 96% and …


Understanding Rapid Intercalation Materials One Parameter At A Time, Wessel Van Den Bergh, Morgan Stefik Jun 2022

Understanding Rapid Intercalation Materials One Parameter At A Time, Wessel Van Den Bergh, Morgan Stefik

Faculty Publications

Demand for fast, energy-dense storage drives the research into nanoscale intercalation materials. Nanomaterials accelerate kinetics and can modify reaction path thermodynamics, intercalant solubility, and reversibility. The discovery of intercalation pseudocapacitance has opened questions about their fundamental operating principles. For example, are their capacitor-like current responses caused by storing energy in special near-surface regions or rather is this response due to normal intercalation limited by a slower faradaic surface-reaction? This review highlights emerging methods combining tailored nanomaterials with the process of elimination to disambiguate cause-and-effect at the nanoscale. This method is applied to multiple intercalation pseudocapacitive materials showing that the timescales …


Unusual High-Frequency Mechanical Properties Of Polymer-Grafted Nanoparticle Melts, Mayank Jhalaria, Yu Chang, Yucheng Huang, Brian C. Benicewicz, Sanat K. Kumar, George Fytas May 2022

Unusual High-Frequency Mechanical Properties Of Polymer-Grafted Nanoparticle Melts, Mayank Jhalaria, Yu Chang, Yucheng Huang, Brian C. Benicewicz, Sanat K. Kumar, George Fytas

Faculty Publications

Brillouin light spectroscopy is used to measure the elastic moduli of spherical polymer-grafted nanoparticle (GNP) melts as a function of chain length at fixed grafting density (0.47  chains/nm2) and nanoparticle radius (8 nm). While the moduli follow a rule of mixtures (Wood’s law) for long chains, they display enhanced elasticity and anomalous dissipation for graft chains <1⁢0⁢0  kDa. GNP melts with long polymers at high 𝜎 have a dry zone near the GNP core, surrounded by a region where the grafts can interpenetrate with chain fragments from adjacent GNPs. We propose that the departures from Wood’s law for short chains are due to the effectively larger silica volume fraction in the region where sound propagates—this is caused by the short, interpenetrated chain fragments being pushed out of the way. We thus conclude that transport mechanisms (of gas, ions, sound, thermal phonons) in GNP melts are radically different if interpenetrated chain segments can be “pushed out of the way” or not. This provides a facile new means for manipulating the properties of these materials.


Faster Intercalation Pseudocapacitance Enabled By Adjustable Amorphous Titania Where Tunable Isomorphic Architectures Reveal Accelerated Lithium Diffusivity, Wessel Van Den Bergh, Taylor Larison, Maximilliano Jesus Jara Fornerod, Prof. Stefan Guldin, Morgan Stefik Apr 2022

Faster Intercalation Pseudocapacitance Enabled By Adjustable Amorphous Titania Where Tunable Isomorphic Architectures Reveal Accelerated Lithium Diffusivity, Wessel Van Den Bergh, Taylor Larison, Maximilliano Jesus Jara Fornerod, Prof. Stefan Guldin, Morgan Stefik

Faculty Publications

Intercalation pseudocapacitance is a faradaic electrochemical phenomenon with high power and energy densities, combining the attractive features of capacitors and batteries, respectively. Intercalation pseudocapacitive responses exhibit surface-limited kinetics by definition, without restriction from the collective of diffusion-based processes. The surface-limited threshold (SLT) corresponds to the maximum voltage sweep rate (vSLT) exhibiting a predominantly surface-limited current response prior to the onset of diffusion-limitations. Prior studies showed increased lithium diffusivity for amorphous titania compared to anatase. Going beyond prior binary comparisons, here a continuum of amorphous titania configurations were prepared using a series of calcination temperatures to tailor both amorphous …


In Situ Recording Of Mars Soundscape, S. Maurice, B. Chide, N. Murdoch, R. D. Lorenz, D. Mimoun, R. C. Wiens, A. Stott, X. Jacob, T. Bertrand, F. Montmessin, N. L. Lanza, C. Alvarez-Llamas, Stanley M. Angel, M. Aung, J. Balaram, O. Beyssac, A. Cousin, G. Delory, O. Forni, T. Fouchet, Et. Al. Apr 2022

In Situ Recording Of Mars Soundscape, S. Maurice, B. Chide, N. Murdoch, R. D. Lorenz, D. Mimoun, R. C. Wiens, A. Stott, X. Jacob, T. Bertrand, F. Montmessin, N. L. Lanza, C. Alvarez-Llamas, Stanley M. Angel, M. Aung, J. Balaram, O. Beyssac, A. Cousin, G. Delory, O. Forni, T. Fouchet, Et. Al.

Faculty Publications

Before the Perseverance rover landing, the acoustic environment of Mars was unknown. Models predicted that: (1) atmospheric turbulence changes at centimetre scales or smaller at the point where molecular viscosity converts kinetic energy into heat1, (2) the speed of sound varies at the surface with frequency2,3 and (3) high-frequency waves are strongly attenuated with distance in CO2 (refs.2,3,4). However, theoretical models were uncertain because of a lack of experimental data at low pressure and the difficulty to characterize turbulence or attenuation in a closed environment. Here, using Perseverance …