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Full-Text Articles in Chemistry

Mass Spectrometry-Based Strategies In Protein Higher Order Structure Analysis: Fundamentals And Applications In Protein-Ligand Interactions, Xiaoran Liu Jan 2021

Mass Spectrometry-Based Strategies In Protein Higher Order Structure Analysis: Fundamentals And Applications In Protein-Ligand Interactions, Xiaoran Liu

Arts & Sciences Graduate Student Theses and Dissertations

Protein ligand interaction is a fundamental question in biology and biochemistry, and many approaches including X-ray crystallography, nuclear magnetic resonance, cryogenic electron microscopy, mass spectroscopy (MS), infrared spectroscopy, circular dichroism, fluorescence spectroscopy and many others have been applied to address this question. Among these techniques, mass spectroscopy has the advantage of high throughput, low sample amount requirement, and mid-to-high spatial resolution. One of the MS-based approaches is protein footprinting, which utilizes labeling reagents to map the solvent accessible surface of the protein of interest thus deliver structural information. Irreversible labeling is represented by covalent labeling and radical labeling, in which …


Surface Modification Of Ii-Vi Semiconducting Nanocrystals, Calynn Morrison Jan 2021

Surface Modification Of Ii-Vi Semiconducting Nanocrystals, Calynn Morrison

Arts & Sciences Graduate Student Theses and Dissertations

This dissertation presents the compositional analysis of semiconductor materials by inductively coupled plasma optical emission spectroscopy (ICP-OES), a novel low-temperature shell growth precursor and installation pathway, and L-type for Z-type ligand exchange experiments conducted with four metal dithiocarbamate ligands. The techniques employed in the compositional analysis of semiconductor materials by inductively coupled plasma optical emission spectroscopy (ICP-OES) have a profound influence on the accuracy and reproducibility of the results. In Chapter 3, we describe methods for sample preparation, calibration, standard selection, and data collection. Specific protocols are suggested for the analysis of II-VI compounds and nanocrystals containing the elements Zn, …


Light-Directed Growth Of Semiconductor Nanomaterials By Photoelectrodeposition, Chu Qin Jan 2021

Light-Directed Growth Of Semiconductor Nanomaterials By Photoelectrodeposition, Chu Qin

Arts & Sciences Graduate Student Theses and Dissertations

In this work, the chemical and physical properties of semiconductor microcrystals and metastable polymorphs were transformed through photoexcitation during electrochemical synthesis. Interfacial charge transfer using photogenerated carriers were used to successfully control the growth of metal oxide semiconductors and change their morphology, composition improve their catalytic activity. The main material systems studied in this thesis are electrodeposited copper oxide (Cu2O) and manganese oxide (MnOx) semiconductor films. Illumination can direct the shape transformation of Cu2O crystals at the nanoscale by facet-selective charge transfer. During photoelectrodeposition on Cu2O microcrystals with well-developed facets, light mediates the deposition of copper metal selectively on the …


Synthesis, Core-Shell Growth, And Surface Chemistry Of 2-Dimensional Cadmium Telluride And Cadmium Selenide Nanocrystals, Haochen Sun Jan 2021

Synthesis, Core-Shell Growth, And Surface Chemistry Of 2-Dimensional Cadmium Telluride And Cadmium Selenide Nanocrystals, Haochen Sun

Arts & Sciences Graduate Student Theses and Dissertations

This dissertation presents the synthesis, shell deposition, and surface ligand-exchange chemistry of 2-dimensional cadmium telluride and cadmium selenide nanocrystals. Flat, colloidal 2-dimensional CdTe and CdSe nanoplatelets are promising materials for optical and electronic applications. The research presented here will enable better understanding of their properties and facilitate further applications.First, a new tellurium precursor, tris(dimethylamino)phosphine telluride is readily prepared and is found to have superior reactivity than the trialkylphosphine tellurides that are commonly used for nanocrystal synthesis. Wurtzite CdTe nanoplatelets, (CdTe)13 magic-size nanoclusters, and CdTe quantum wires are synthesized with this precursor, and are fully characterized. It is demonstrated that in …


Developing Methods For Diversifying Molecular Scaffolds Directly On A Microelectrode Array, Nai-Hua Yeh Jan 2021

Developing Methods For Diversifying Molecular Scaffolds Directly On A Microelectrode Array, Nai-Hua Yeh

Arts & Sciences Graduate Student Theses and Dissertations

Microelectrode arrays contain collections of spatially isolated electrodes that can be individually addressed. Thus, the arrays have the potential to support synthesis of molecular libraries if unique members of the library can be located next to unique electrodes in the array. The result would be an intriguing platform for screening the molecules in the library against biological receptors in order to identify high-affinity ligands for those targets, especially since the arrays themselves can be directly used in the signaling studies. To expand the capabilities of the arrays, the goal of this thesis is to develop the new array chemistry needed …


Synthesis Of New Anilinoquinazoline Derivatives As Potential Anticancer Agents: Antiproliferative Activity, Molecular Docking And Molecular Dynamics Studies, Muhammad Kumayl Abdul Wahab Jan 2021

Synthesis Of New Anilinoquinazoline Derivatives As Potential Anticancer Agents: Antiproliferative Activity, Molecular Docking And Molecular Dynamics Studies, Muhammad Kumayl Abdul Wahab

Student Works (2020-2029)

Current reversible epidermal growth factor (EGFR) tyrosine kinase inhibitors of the non-small cell lung cancer (NSCLC) have been resisted by T790M mutation, while irreversible inhibitors introduced to overcome the mutation have faced resistance from C797S mutation. In the effort to discover potential reversible EGFR inhibitors, two series of anilinoquinazoline derivatives were synthesized and characterized, studied for their in vitro antiproliferative activity against NSCLC cell lines, namely A549, H1650 and H1975, and studied for the plausible binding mode in epidermal growth factor receptor kinases with different mutations through molecular docking. In the first series, the anilinoquinazoline scaffold was derivatized through the …


Flexible Nanopaper Composed Of Wood-Derived Nanofibrillated Cellulose And Graphene Building Blocks, Qing Li, Ming Dai, Xueren Qian, Tian Liu, Zhenbo Liu, Yu Liu, Ming Chen, Wang He, Suqing Zeng, Yu Meng, Chenchen Dai, Jing Shen, Yingtao Liu, Wenshuai Chen, Wenbo Liu, Ping Lu Jan 2021

Flexible Nanopaper Composed Of Wood-Derived Nanofibrillated Cellulose And Graphene Building Blocks, Qing Li, Ming Dai, Xueren Qian, Tian Liu, Zhenbo Liu, Yu Liu, Ming Chen, Wang He, Suqing Zeng, Yu Meng, Chenchen Dai, Jing Shen, Yingtao Liu, Wenshuai Chen, Wenbo Liu, Ping Lu

College of Science & Mathematics Departmental Research

Nanopaper has attracted considerable interest in the fields of films and paper research. However, the challenge of integrating the many advantages of nanopaper still remains. Herein, we developed a facile strategy to fabricate multifunctional nanocomposite paper (NGCP) composed of wood-derived nanofibrillated cellulose (NFC) and graphene as building blocks. NFC suspension was consisted of long and entangled NFCs (10–30 nm in width) and their aggregates. Before NGCP formation, NFC was chemically modified with a silane coupling agent to ensure that it could interact strongly with graphene in NGCP. The resulting NGCP samples were flexible and could be bent repeatedly without any …


Experimental And Computational Observations Of Immunogenic Cobalt Porphyrin Lipid Bilayers: Nanodomain-Enhanced Antigen Association., Jasmin Federizon, Conrard Giresse Tetsassi Feugmo, Wei-Chiao Huang, Xuedan He, Kazutoyo Miura, Aida Razi, Joaquin Ortega, Mikko Karttunen, Jonathan F Lovell Jan 2021

Experimental And Computational Observations Of Immunogenic Cobalt Porphyrin Lipid Bilayers: Nanodomain-Enhanced Antigen Association., Jasmin Federizon, Conrard Giresse Tetsassi Feugmo, Wei-Chiao Huang, Xuedan He, Kazutoyo Miura, Aida Razi, Joaquin Ortega, Mikko Karttunen, Jonathan F Lovell

Chemistry Publications

Cobalt porphyrin phospholipid (CoPoP) can incorporate within bilayers to enable non-covalent surface-display of antigens on liposomes by mixing with proteins bearing a polyhistidine tag (his-tag); however, the mechanisms for how this occurs are poorly understood. These were investigated using the his-tagged model antigen Pfs25, a protein antigen candidate for malaria transmission-blocking vaccines. Pfs25 was found to associate with the small molecule aquocobalamin, a form of vitamin B12 and a cobalt-containing corrin macrocycle, but without particle formation, enabling comparative assessment. Relative to CoPoP liposomes, binding and serum stability studies indicated a weaker association of Pfs25 to aquocobalamin or cobalt nitrilotriacetic acid …


Carbon Fibers Coated With Ternary Ni-Co-Se Alloy Particles As Low-Cost Counter Electrode For Flexible Dye Sensitized Solar Cell, Brishty Deb Choudhury, Chen Lin, Sk Md Ali Zaker Shawon, Javier Soliz-Martinez, Jose Gutierrez, Muhammad N. Huda, Federico Cesano, Karen Lozano, Jin Zhong Zhang, M. Jasim Uddin Jan 2021

Carbon Fibers Coated With Ternary Ni-Co-Se Alloy Particles As Low-Cost Counter Electrode For Flexible Dye Sensitized Solar Cell, Brishty Deb Choudhury, Chen Lin, Sk Md Ali Zaker Shawon, Javier Soliz-Martinez, Jose Gutierrez, Muhammad N. Huda, Federico Cesano, Karen Lozano, Jin Zhong Zhang, M. Jasim Uddin

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Compared to flat devices based on rigid substrates, cable-shaped dye-sensitized solar cells hold advantages of smaller size, light weight, facile fabrication, flexibility, and low cost, thus a promising direction for applications such as wearable electronic devices. However, most reported fiber-shaped dye-sensitized solar cells use Pt wires as counter electrodes, which are high in cost. Herein, a flexible Pt-free counter electrode is fabricated via depositing ternary nickel cobalt selenide (Ni–Co–Se) particles on the surface of carbon fibers. Scanning electron microscopy and X-ray diffraction are used to characterize the counter electrode and alloy material. Results from bare and modified carbon fiber counter …


Comparison Of Bifurcated Halogen With Hydrogen Bonds, Steve Scheiner Jan 2021

Comparison Of Bifurcated Halogen With Hydrogen Bonds, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Bifurcated halogen bonds are constructed with FBr and FI as Lewis acids, paired with NH3 and NCH bases. The first type considered places two bases together with a single acid, while the reverse case of two acids sharing a single base constitutes the second type. These bifurcated systems are compared with the analogous H-bonds wherein FH serves as the acid. In most cases, a bifurcated system is energetically inferior to a single linear bond. There is a larger energetic cost to forcing the single σ-hole of an acid to interact with a pair of bases, than the other way …


Rechargeable Batteries Including High-Voltage Cathode And Redox Shuttle Conferring Overcharge Protection, Susan A. Odom, Aman Preet Kaur, Corrine F. Elliott Jan 2021

Rechargeable Batteries Including High-Voltage Cathode And Redox Shuttle Conferring Overcharge Protection, Susan A. Odom, Aman Preet Kaur, Corrine F. Elliott

Chemistry Faculty Patents

Compounds for use as photoredox catalysts and as redox shuttles in a rechargeable battery having a high-voltage cathode providing overcharge protection capabilities are provided, including a compound according to the formula: (see patent for formula)

wherein R is selected from the group consisting of alkyl, aryl, alkylaryl, alkoxyaryl, alkylcarboxyl, aryl carbonyl, haloalkyl, perfluoroalkyl, glycols, haloaryl, a negative electrolyte, and a polymer.


Biochemical Characterization Of The Two-Component Flavin-Dependent Monooxygenase Involved In Valanimycin Biosynthesis, Hao Li, Benedicta Forson, Meital Eckshtain-Levi, Hannah Valentino, Julia S. Martín Del Campo, John J. Tanner, Pablo Sobrado Jan 2021

Biochemical Characterization Of The Two-Component Flavin-Dependent Monooxygenase Involved In Valanimycin Biosynthesis, Hao Li, Benedicta Forson, Meital Eckshtain-Levi, Hannah Valentino, Julia S. Martín Del Campo, John J. Tanner, Pablo Sobrado

Chemistry Faculty Research & Creative Works

The flavin reductase (FRED) and isobutyl amine N-hydroxylase (IBAH) from Streptomyces viridifaciens constitute a two-component, flavin-dependent monooxygenase system that catalyzes the first step in valanimycin biosynthesis. FRED is an oxidoreductase that provides the reduced flavin to IBAH, which then catalyzes the hydroxylation of isobutyl amine (IBA) to isobutyl hydroxylamine (IBHA). In this work, we used several complementary methods to investigate FAD binding, steady-state and rapid reaction kinetics, and enzyme-enzyme interactions in the FRED: IBAH system. The affinity of FRED for FADox is higher than its affinity for FADred, consistent with its function as a flavin reductase. Conversely, IBAH binds FADred …


Water Spines And Networks In G-Quadruplex Structures, Kevin Li , '22, Liliya A. Yatsunyk, S. Neidle Jan 2021

Water Spines And Networks In G-Quadruplex Structures, Kevin Li , '22, Liliya A. Yatsunyk, S. Neidle

Chemistry & Biochemistry Faculty Works

Quadruplex DNAs can fold into a variety of distinct topologies, depending in part on loop types and orientations of individual strands, as shown by high-resolution crystal and NMR structures. Crystal structures also show associated water molecules. We report here on an analysis of the hydration arrangements around selected folded quadruplex DNAs, which has revealed several prominent features that re-occur in related structures. Many of the primary-sphere water molecules are found in the grooves and loop regions of these structures. At least one groove in anti-parallel and hybrid quadruplex structures is long and narrow and contains an extensive spine of linked …


Simulations Of H2 Sorption In Metal-Organic Frameworks, Shanelle Suepaul Jan 2021

Simulations Of H2 Sorption In Metal-Organic Frameworks, Shanelle Suepaul

USF Tampa Graduate Theses and Dissertations

Metal-organic frameworks are a diverse group of crystalline materials consisting of metal ionscoordinated to organic ligands. Their characteristic high porosity, large surface area along with tunable pore structures and chemical functionalities make them an exceptional candidate for H2 storage applications. Computational studies of H2 sorption in metal-organic frameworks aid in producing molecular-level insights which can facilitate the design of structures with improved performance. In this work, various MOFs were investigated using grand canonical Monte Carlo simulations.

Addressed first are two MOFs with rht topologies which consist of two chemically distinct Cu2+ ions coordinated to triisophthalate ligands. Through electronic structure calculations …


Single-Beam Inscription Of Plasmon-Induced Surface Gratings, Denis Ab Therien, Nina M. Culum, Danielle M. Mcrae, Leila Mazaheri, Francois Lagugne-Labarthet Jan 2021

Single-Beam Inscription Of Plasmon-Induced Surface Gratings, Denis Ab Therien, Nina M. Culum, Danielle M. Mcrae, Leila Mazaheri, Francois Lagugne-Labarthet

Chemistry Publications

The formation of gratings on gold nanoprisms arrays by plasmon-mediated reduction of a diazonium salt is investigated. Nanosphere lithography (NSL) is used to produce large surfaces of gold nanoprisms that are effective at reducing diazonium salts by producing hot electrons through excitation of localized surface plasmon resonances (LSPRs). Using single beam irradiation, we report here on the formation of periodic structures formed from the diazonium salts and that follow the NSL structures. On plasmonically active nanoprism substrates, the electric field enhancement promotes chemical reduction and hence modifies the grafting direction and grating properties of the ripples. The nanoprisms act as …


Critical And Ictal Phases In Simulated Eeg Signals On A Small-World Network, Louis R. Nemzer, Gary D. Cravens, Robert M. Worth, Francis Motta, Andon Placzek, Victor Castro, Jennie Q. Lou Jan 2021

Critical And Ictal Phases In Simulated Eeg Signals On A Small-World Network, Louis R. Nemzer, Gary D. Cravens, Robert M. Worth, Francis Motta, Andon Placzek, Victor Castro, Jennie Q. Lou

Chemistry and Physics Faculty Articles

Healthy brain function is marked by neuronal network dynamics at or near the critical phase, which separates regimes of instability and stasis. A failure to remain at this critical point can lead to neurological disorders such as epilepsy, which is associated with pathological synchronization of neuronal oscillations. Using full Hodgkin-Huxley (HH) simulations on a Small-World Network, we are able to generate synthetic electroencephalogram (EEG) signals with intervals corresponding to seizure (ictal) or non-seizure (interictal) states that can occur based on the hyperexcitability of the artificial neurons and the strength and topology of the synaptic connections between them. These interictal simulations …


Self-Assembled Thermoresponsive Nanogel From Grafted Hyaluronic Acid As A Biocompatible Delivery Platform For Curcumin With Enhanced Drug Loading And Biological Activities, Jittima Amie Luckanagul, Pahweenvaj Ratnatilaka Na Bhuket, Chawanphat Muangnoi, Pranee Rojsitthisak, Qian Wang, Pornchai Rojsitthisak Jan 2021

Self-Assembled Thermoresponsive Nanogel From Grafted Hyaluronic Acid As A Biocompatible Delivery Platform For Curcumin With Enhanced Drug Loading And Biological Activities, Jittima Amie Luckanagul, Pahweenvaj Ratnatilaka Na Bhuket, Chawanphat Muangnoi, Pranee Rojsitthisak, Qian Wang, Pornchai Rojsitthisak

Faculty Publications

A hyaluronic acid-grafted poly(N-isopropylacrylamide) (HA-pNIPAM) was synthesized as a polymeric nanogel platform for encapsulation and delivery of hydrophobic bioactive compounds using curcumin as a model drug. As demonstrated by transmission electron microscopy and dynamic light scattering techniques, the HA-pNIPAM was simply assembled into spherical nano-sized particles with the thermoresponsive behavior. The success of curcumin aqueous solubilization was confirmed by fluorescent spectroscopy. The resulting nanogel formulation enhanced the aqueous solubility and uptake into NIH-3T3 cells of curcumin. This nanogel formulation also demonstrates cytocompatibility against NIH-3T3 cells, which deems it safe as a delivery vehicle. Moreover, the formulation has a slight skin-protection …


Luteolin Inhibits Proliferation, Triggers Apoptosis And Modulates Akt/Mtor And Map Kinase Pathways In Hela Cells, Ritu Raina, Sreepoorna Pramodh, Naushad Rais, Shafiul Haque, Jasmin Shafarin, Khuloud Bajbouj, Mawieh Hamad, Arif Hussain Jan 2021

Luteolin Inhibits Proliferation, Triggers Apoptosis And Modulates Akt/Mtor And Map Kinase Pathways In Hela Cells, Ritu Raina, Sreepoorna Pramodh, Naushad Rais, Shafiul Haque, Jasmin Shafarin, Khuloud Bajbouj, Mawieh Hamad, Arif Hussain

All Works

Flavonoids, a subclass of polyphenols, have been shown to be effective against several types of cancer, by decreasing proliferation and inducing apoptosis. Therefore, the aim of the present study was to assess the anti-carcinogenic potential of luteolin on HeLa human cervical cancer cells, through the use of a cell viability assay, DNA fragmentation assay, mitochondrial membrane potential assay, cell cycle analysis using Annexin/PI staining and flow cytometry, gene expression analysis and a protein profiling array. Luteolin treatment exhibited cytotoxicity towards HeLa cells in a dose- and time-dependent manner, and its anti-proliferative properties were confirmed by accumulation of luteolin-treated cells in …


Development Of An Understanding Of Reactive Mercury In Ambient Air: A Review, Mae Sexauer Gustin, Sarrah M. Dunham-Cheatham, Jiaoyan Huang, Steve Lindberg, Seth N. Lyman Jan 2021

Development Of An Understanding Of Reactive Mercury In Ambient Air: A Review, Mae Sexauer Gustin, Sarrah M. Dunham-Cheatham, Jiaoyan Huang, Steve Lindberg, Seth N. Lyman

Chemistry and Biochemistry Faculty Publications

This review focuses on providing the history of measurement efforts to quantify and characterize the compounds of reactive mercury (RM), and the current status of measurement methods and knowledge. RM collectively represents gaseous oxidized mercury (GOM) and that bound to particles. The presence of RM was first recognized through measurement of coal-fired power plant emissions. Once discovered, researchers focused on developing methods for measuring RM in ambient air. First, tubular KCl-coated denuders were used for stack gas measurements, followed by mist chambers and annular denuders for ambient air measurements. For ~15 years, thermal desorption of an annular KCl denuder in …


Probing The Effects Of Heterogeneous Oxidative Modifications On The Stability Of Cytochrome, Victor Yin, Lars Konermann Jan 2021

Probing The Effects Of Heterogeneous Oxidative Modifications On The Stability Of Cytochrome, Victor Yin, Lars Konermann

Chemistry Publications

Covalent modifications by reactive oxygen species can modulate the function and stability of proteins. Thermal unfolding experiments in solution are a standard tool for probing oxidation-induced stability changes. Complementary to such solution investigations, the stability of electrosprayed protein ions can be assessed in the gas phase by collision-induced unfolding (CIU) and ion-mobility spectrometry. A question that remains to be explored is whether oxidation-induced stability alterations in solution are mirrored by the CIU behavior of gaseous protein ions. Here, we address this question using chloramine-T-oxidized cytochrome c (CT-cyt c) as a model system. CT-cyt c comprises various proteoforms that have …


Interrogating The Quaternary Structure Of Noncanonical Hemoglobin Complexes By Electrospray Mass Spectrometry And Collision-Induced Dissociation., Alexander I M Sever, Victor Yin, Lars Konermann Jan 2021

Interrogating The Quaternary Structure Of Noncanonical Hemoglobin Complexes By Electrospray Mass Spectrometry And Collision-Induced Dissociation., Alexander I M Sever, Victor Yin, Lars Konermann

Chemistry Publications

Various activation methods are available for the fragmentation of gaseous protein complexes produced by electrospray ionization (ESI). Such experiments can potentially yield insights into quaternary structure. Collision-induced dissociation (CID) is the most widely used fragmentation technique. Unfortunately, CID of protein complexes is dominated by the ejection of highly charged monomers, a process that does not yield any structural insights. Using hemoglobin (Hb) as a model system, this work examines under what conditions CID generates structurally informative subcomplexes. Native ESI mainly produced tetrameric Hb ions. In addition, "noncanonical" hexameric and octameric complexes were observed. CID of all these species [(αβ)2 …


Differential Modulation Of Sk Channel Subtypes By Phosphorylation, Young-Woo Nam, Dezhi Kong, Dong Wang, Razan Orfali, Rinzhin T. Sherpa, Jennifer Totonchy, Surya M. Nauli, Miao Zhang Jan 2021

Differential Modulation Of Sk Channel Subtypes By Phosphorylation, Young-Woo Nam, Dezhi Kong, Dong Wang, Razan Orfali, Rinzhin T. Sherpa, Jennifer Totonchy, Surya M. Nauli, Miao Zhang

Pharmacy Faculty Articles and Research

Small-conductance Ca2+-activated K+ (SK) channels are voltage-independent and are activated by Ca2+ binding to the calmodulin constitutively associated with the channels. Both the pore-forming subunits and the associated calmodulin are subject to phosphorylation. Here, we investigated the modulation of different SK channel subtypes by phosphorylation, using the cultured endothelial cells as a tool. We report that casein kinase 2 (CK2) negatively modulates the apparent Ca2+ sensitivity of SK1 and IK channel subtypes by more than 5-fold, whereas the apparent Ca2+ sensitivity of the SK3 and SK2 subtypes is only reduced by ∼2-fold, when heterologously …


Modes Of Transmission Of Severe Acute Respiratory Syndrome-Coronavirus-2 (Sars-Cov-2) And Factors Influencing On The Airborne Transmission: A Review, Mahdieh Delikhoon, Marcelo I. Guzman, Ramin Nabizadeh, Abbas Norouzian Baghani Jan 2021

Modes Of Transmission Of Severe Acute Respiratory Syndrome-Coronavirus-2 (Sars-Cov-2) And Factors Influencing On The Airborne Transmission: A Review, Mahdieh Delikhoon, Marcelo I. Guzman, Ramin Nabizadeh, Abbas Norouzian Baghani

Chemistry Faculty Publications

The multiple modes of SARS-CoV-2 transmission including airborne, droplet, contact, and fecal–oral transmissions that cause coronavirus disease 2019 (COVID-19) contribute to a public threat to the lives of people worldwide. Herein, different databases are reviewed to evaluate modes of transmission of SARS-CoV-2 and study the effects of negative pressure ventilation, air conditioning system, and related protection approaches of this virus. Droplet transmission was commonly reported to occur in particles with diameter >5 µm that can quickly settle gravitationally on surfaces (1–2 m). Instead, fine and ultrafine particles (airborne transmission) can stay suspended for an extended period of time (≥2 h) …


Numerical Reconstruction Of Spalled Particle Trajectories In An Arc-Jet Environment, Raghava S. C. Davuluri, Sean C. C. Bailey, Kaveh A. Tagavi, Alexandre Martin Jan 2021

Numerical Reconstruction Of Spalled Particle Trajectories In An Arc-Jet Environment, Raghava S. C. Davuluri, Sean C. C. Bailey, Kaveh A. Tagavi, Alexandre Martin

Mechanical Engineering Faculty Publications

To evaluate the effects of spallation on ablative material, it is necessary to evaluate the mass loss. To do so, a Lagrangian particle trajectory code is used to reconstruct trajectories that match the experimental data for all kinematic parameters. The results from spallation experiments conducted at the NASA HYMETS facility over a wedge sample were used. A data-driven adaptive methodology was used to adapts the ejection parameters until the numerical trajectory matches the experimental data. The preliminary reconstruction results show that the size of the particles seemed to be correlated with the location of the ejection event. The size of …


From Ideas To Items: A Primer On The Development Of Ordered Multiple-Choice Items For Investigating The Progression Of Learning In Higher Education Stem, Katherine Lazenby, Morgan E. Balabanoff, Nicole M. Becker, Alena Moon, Jack Barbera Jan 2021

From Ideas To Items: A Primer On The Development Of Ordered Multiple-Choice Items For Investigating The Progression Of Learning In Higher Education Stem, Katherine Lazenby, Morgan E. Balabanoff, Nicole M. Becker, Alena Moon, Jack Barbera

Chemistry Faculty Publications and Presentations

Identifying effective methods of assessment and developing robust assessments are key areas of research in chemistry education. This research is needed to evaluate instructional innovations and curricular reform. In this primer, we advocate for the use of a type of assessment, ordered multiple-choice (OMC), across postsecondary chemistry. OMC assessments are grounded in a developmental perspective, which treats students’ knowledge as developing in sophistication over time. This is in contrast to a dichotomous perspective, which asserts that students’ knowledge is either aligned or misaligned with scientifically accepted knowledge. By drawing on a developmental perspective, OMC assessments offer insights into student understanding …


N-Type Charge Transport In Heavily P-Doped Polymers, Zhiming Liang, Hyun Ho Choi, Xuyi Luo, Tuo Liu, Ashkan Abtahi, Uma Shantini Ramasamy, J. Andrew Hitron, Kyle N. Baustert, Jacob L. Hempel, Alex M. Boehm, Armin Ansary, Douglas R. Strachan, Jianguo Mei, Chad Risko, Vitaly Podzorov, Kenneth R. Graham Jan 2021

N-Type Charge Transport In Heavily P-Doped Polymers, Zhiming Liang, Hyun Ho Choi, Xuyi Luo, Tuo Liu, Ashkan Abtahi, Uma Shantini Ramasamy, J. Andrew Hitron, Kyle N. Baustert, Jacob L. Hempel, Alex M. Boehm, Armin Ansary, Douglas R. Strachan, Jianguo Mei, Chad Risko, Vitaly Podzorov, Kenneth R. Graham

Chemistry Faculty Publications

It is commonly assumed that charge-carrier transport in doped π-conjugated polymers is dominated by one type of charge carrier, either holes or electrons, as determined by the chemistry of the dopant. Here, through Seebeck coefficient and Hall effect measurements, we show that mobile electrons contribute substantially to charge-carrier transport in π-conjugated polymers that are heavily p-doped with strong electron acceptors. Specifically, the Seebeck coefficient of several p-doped polymers changes sign from positive to negative as the concentration of the oxidizing agents FeCl3 or NOBF4 increase, and Hall effect measurements for the same p-doped polymers reveal that …


Structural Insights Into Ankyrin Repeat-Containing Proteins And Their Influence In Ubiquitylation, Emma I. Kane, Donald E. Spratt Jan 2021

Structural Insights Into Ankyrin Repeat-Containing Proteins And Their Influence In Ubiquitylation, Emma I. Kane, Donald E. Spratt

Chemistry

Ankyrin repeat (AR) domains are considered the most abundant repeat motif found in eukaryotic proteins. AR domains are predominantly known to mediate specific protein–protein interactions (PPIs) without necessarily recognizing specific primary sequences, nor requiring strict conformity within its own primary sequence. This promiscuity allows for one AR domain to recognize and bind to a variety of intracellular substrates, suggesting that AR-containing proteins may be involved in a wide array of functions. Many AR-containing proteins serve a critical role in biological processes including the ubiquitylation signaling pathway (USP). There is also strong evidence that AR-containing protein malfunction are associated with several …


Gene Alteration In Zebrafish Exposed To A Mixture Of Substances Of Abuse☆, Bikram Subedi, Sydni Anderson, Tara L. Croft, Eric C. Rouchka, Mei Zhang, Dena Weinberger Jan 2021

Gene Alteration In Zebrafish Exposed To A Mixture Of Substances Of Abuse☆, Bikram Subedi, Sydni Anderson, Tara L. Croft, Eric C. Rouchka, Mei Zhang, Dena Weinberger

Faculty & Staff Research and Creative Activity

A recent surge in the use and abuse of diverse prescribed psychotic and illicit drugs necessitates the surveillance of drug residues in source water and the associated ecological impacts of chronic exposure to the aquatic organism. Thirty-six psychotic and illicit drug residues were determined in discharged wastewater from two centralized municipal wastewater treatment facilities and two wastewater receiving creeks for seven consecutive days in Kentucky. Zebrafish (Danio rerio) larvae were exposed to the environmental relevant mixtures of all drug residues, all illicit drugs, and all prescribed psychotic drugs. The extracted RNA from fish homogenates was sequenced, and differentially …


Why Are Glycines 31, 33, And 35 Highly Conserved In All Fluorescent Proteins?, Justin Nwafor Jan 2021

Why Are Glycines 31, 33, And 35 Highly Conserved In All Fluorescent Proteins?, Justin Nwafor

Chemistry Honors Papers

Since the discovery of the Green Fluorescent Protein (GFP), fluorescent proteins (FPs) have been used as biomarkers to monitor biological phenomena across many scientific disciplines. All naturally-occurring FPs consist of an 11-stranded β-barrel with a non-canonical α-helix, which contains the chromophore, running through the central axis of the protein. Glycines 31, 33, and 35 are highly conserved across the fluorescent proteins found in the PDB. These three residues are of interest due to them all being located in the second strand of the β-barrel, but having no direct involvement in chromophore formation. This led to a presumption that the glycines …


System-Level Approaches For Intensifying The Co2 Electrolysis Process: From Reaction Chemistry To Process Development, Saket S. Bhargava Jan 2021

System-Level Approaches For Intensifying The Co2 Electrolysis Process: From Reaction Chemistry To Process Development, Saket S. Bhargava

Link Foundation Energy Fellowship Reports

Electrochemical reduction of CO2 (CO2RR) is a promising alternative for producing carbon-based value-added chemicals such as carbon monoxide, ethylene, and ethanol that are currently produced using thermochemical fossil fuel-based production methods.1 Despite research breakthroughs, significant improvements are still needed in terms of activities (partial current densities – pCDs), selectivities (Faradaic efficiencies – FEs), and full cell energy efficiencies (EEs) before the CO2 electrolysis process can be employed at industrial scales in an economically feasible and carbon-neutral manner.