Digital Commons Network^™

The Effect Of Ions On The Adsorption Of So2 On A Water Nanoparticle, Nathaniel W. Gillispie

Mahurin Honors College Capstone Experience/Thesis Projects

Secondary Organic Aerosols (SOAs) have been of interest to atmospheric chemists for their harmful effects on human health and implications for climate change. Here, we explore a likely system from the early stages of SOA formation. Using compu- tational methods, water nanoparticles with and without ions were simulated. We observe the effects of ions on the adsorption of SO2 on this system. SO2 in the at- mosphere is associated with greater production of SOAs, so its study is important to SOA formation. We find that the overall structure of water is the most important observable affecting the location of SO2 …

Design Of Kappa Opioid Receptor Agonists For Potential Treatment Of Multiple Sclerosis, Lindsay Kornberger

Theses and Dissertations--Pharmacy

Multiple Sclerosis (MS) is a neurodegenerative disease of the central nervous system characterized by demyelination and neuroinflammation. There is currently no cure for MS. There is a critically unmet need for the development of pharmacotherapies that can induce remyelination promoting both repair and recovery. The kappa opioid receptor (KOR) has been identified as a potential target for the development of remyelinating pharmacotherapies. KOR activation has been shown to promote functional recovery and remyelination preclinically. However, typical KOR agonists like U50,488 have limitations such as sedation and dysphoria limiting their use. This necessitates further development of new KOR agonists that maintain …

Development Of Functional Plasmonic Nanoceria For The Ultrasensitive Detection Of Ebola Glycoprotein, Carissa A. Sutton

Graduate Theses/Dissertations

Infectious diseases have been increasing in both severity and prevalence, leading to increasing economic burdens and health concerns. Ebola hemorrhagic fever is an infectious disease that is both highly communicable and highly fatal. Current detection methods for the virus have high specificity and sensitivity but have long and/or complicated procedures that do not allow for early virus detection in highly affected areas. Compared to the lengthy procedure of reverse transcription-polymerase chain reaction (RT-PCR), real-time RT-PCR is more time-efficient; however, specificity and sensitivity are reduced. Since early detection of the virus is the only way to increase survival rates, sensitive detection …

A Simple, Inexpensive Alkaline Method For Bacterial Dna Extraction From Environmental Samples For Pcr Surveillance And Microbiome Analyses, Abdulkarim Shwani, Bin Zuo, Adnan Alrubaye, Jiangchao Zhao, Douglas D. Rhoads

Poultry Science Faculty Publications and Presentations

DNA extraction for downstream molecular diagnostic applications can be an expensive, time-consuming process. We devised a method to quickly extract total bacterial DNA from environmental samples based on the sodium hydroxide lysis of cells with or without capture by magnetic beads for subsequent PCR or quantitative PCR. The final DNA extraction method using NaOH is extremely low-cost and can be completed in as little as 10 min at room temperature with dilution, or the DNA can be further purified using silica-coated paramagnetic beads. NaOH extraction was effective for Gram-negative and Gram-positive bacteria in samples from air, soil, sewage, food, laboratory …

Structural And Magnetic Properties Of Molecular Beam Epitaxy (Mnsb2te4)X(Sb2te3)1−X Topological Materials With Exceedingly High Curie Temperature, Candice R. Forrester, Christophe Testelin, Kaushini Wickramasinghe, Ido Levy, Dominique Demaille, David Hrabovsky, Xiaxin Ding, Lisa Krusin-Elbaum, Gustavo Lopez, Maria C. Tamargo

Publications and Research

Tuning the properties of magnetic topological materials is of interest to realize exotic physical phenomena, new quantum phases and quasiparticles, and topological spintronic devices. However, current topological materials exhibit Curie temperature (T_C) values far below those needed for practical applications. In recent years, significant progress has been made to control and optimize T_C, particularly through defect-engineering of these structures. Most recently, we reported T_C values up to 80 K for (MnSb₂Te₄)_x(Sb₂Te₃)_1−x when 0.7 ≤ x ≤ 0.85 by controlling the composition x and the …

Investigating Factors Contributing To Differences In Air Pollutants Between Metropolitan Areas In The Us, Ellen Hu

Scripps Senior Theses

Densely populated regions around the United States exhibit varying concentrations of air pollutants that can impact the health of urban populations and surrounding ecosystems. Understanding why these differences exist can be important in addressing health issues as the human population continues to increase and communities across the globe move to accommodate these trends. To investigate the impact of natural processes and anthropogenic sources on pollutant concentrations, EPA daily fine particulate matter (PM_2.5), nitrogen dioxide (NO₂), and ozone (O₃) pollutant concentrations from seven metropolitan regions across the US for 2018-2022 were used. A Spearman Rank-Order …

Establishing A Two-Color Fluorescence Probe Assay For The Simultaneous Screening Of Glut5 And Glut2 Fructose Transporters In Live Cells, Oluwanifesimi Mary Afolabi

Dissertations, Master's Theses and Master's Reports

The mammalian facilitative glucose transporter (GLUT) family comprises 14 members that mediate the transport of hexoses across cell membranes. GLUT5 is the only member specific to fructose, and together with GLUT2, which transports fructose in addition to glucose, they make up the primary fructose transporters in humans. This study introduces a novel two-color fluorescence assay designed to simultaneously monitor the activity of GLUT5 and GLUT2 in live cells. 2,5-anhydro-D-mannitol (2,5-AM) a GLUT5 targeting compound has facilitated the development of various fructose-mimicking probes with a wide range of properties, such as radioactive imaging, fluorescent, photoactive, and drug delivery capabilities. Effective and …

A Physicochemical Characterization Of Protein Aggregates: Influence Of Lipid Membranes And Surfaces, Connor J. Hall

Dissertations, Master's Theses and Master's Reports

Protein aggregation is a hallmark of neurodegenerative diseases (NDs). Although there has been a greater emphasis in the past decade or more on the correlation between the physicochemical characteristics of aggregates and their cellular toxicity, it is still unclear what specific features of an aggregate render it toxic. To better understand that, there has been a renewed focus on the characterization of unique biochemical and biophysical properties of protein aggregates. Elucidation of these unique characteristics can help to better understand disease pathogenesis in vivo. Furthermore, the lipid-rich nature of the brain sets it apart from all other organs, and numerous …

Transient Diode Laser Absorption Spectroscopy For Measuring Collisional Quenching Rates Of Co And Its Potential For Studying H2o, Jordan M. Polvere

Master’s Theses

Motivated by the necessity of non-LTE models that account for species that are not in Local Thermodynamic Equilibrium (LTE) in Titan’s and Earth’s atmospheres, collisional quenching rates of CO and H2O_(g) have been studied. Providing more accurate and precise values of collisional quenching rate coefficients is crucial in the development of more advanced atmospheric models, which are important to fields of science such as meteorology and astronomy. Rates of collisional quenching of CO(v=1,2) by CO and CO(v=2) by N₂ at approximately 301-321 K were measured by transient diode laser absorption spectroscopy. The rate coefficients of CO(v=1)-CO, CO(v=2)-CO, and …

Multiple Imputation For Robust Cluster Analysis To Address Missingness In Medical Data, Arnold Harder, Gayla R. Olbricht, Godwin Ekuma, Daniel B. Hier, Tayo Obafemi-Ajayi

Mathematics and Statistics Faculty Research & Creative Works

Cluster Analysis Has Been Applied To A Wide Range Of Problems As An Exploratory Tool To Enhance Knowledge Discovery. Clustering Aids Disease Subtyping, I.e. Identifying Homogeneous Patient Subgroups, In Medical Data. Missing Data Is A Common Problem In Medical Research And Could Bias Clustering Results If Not Properly Handled. Yet, Multiple Imputation Has Been Under-Utilized To Address Missingness, When Clustering Medical Data. Its Limited Integration In Clustering Of Medical Data, Despite The Known Advantages And Benefits Of Multiple Imputation, Could Be Attributed To Many Factors. This Includes Methodological Complexity, Difficulties In Pooling Results To Obtain A Consensus Clustering, Uncertainty Regarding …

Self-Quenching Of Carbon Monoxide In The Presence Of Noble Gases, Madeline V. Hinkle

Honors Theses

Precise rate coefficients for the vibrational relaxation pathways of CO(v)-CO in the presence of Ar and Kr have been determined through the work of this thesis. This work was motivated by the need to find a more cost-effective alternative to using xenon as a bath gas, which has increased significantly in price in the past few years. Similar experiments within this lab at Bucknell have been conducted in the past using argon, which can be used in the same manner as xenon but comes at a much lower price, but the experiments yielded inferior results compared to those using xenon. …

Computational Study Of Proton Transfer At Transition Metal Hydrides, Megan Ford

Honors Theses

Energy storage in the bonds of common chemical feedstocks is an attractive solution to the unreliability of wind and solar power due to its long term efficiency and easy recoverability. Energy is stored by reducing chemicals like ammonia, formic acid, and hydrogen, the reaction of which is dependent on a catalyst. To catalyze the reaction, the catalyst undergoes a slow proton transfer (PT) step to form what is known as a metal hydride. The sluggish kinetics of this step lower the effectiveness of the catalyst, and therefore must be better understood in order to improve the efficiency of energy storage …

Aggregation And Oligomerization Characterization Of Ss-Lactoglobulin Protein Using A Solid-State Nanopore Sensor, Mitu C. Acharjee, Brad Ledden, Brian Thomas, Xianglan He, Troy Messina, Jason Giurleo, David Talaga, Jiali Li

Physics Faculty Publications and Presentations

Protein aggregation is linked to many chronic and devastating neurodegenerative human diseases and is strongly associated with aging. This work demonstrates that protein aggregation and oligomerization can be evaluated by a solid-state nanopore method at the single molecule level. A silicon nitride nanopore sensor was used to characterize both the amyloidogenic and native-state oligomerization of a model protein ß-lactoglobulin variant A (βLGa). The findings from the nanopore measurements are validated against atomic force microscopy (AFM) and dynamic light scattering (DLS) data, comparing βLGa aggregation from the same samples at various stages. By calibrating with linear and circular dsDNA, this study …

Wildfire Effects On The Fate Of Deposited Nitrogen In A Boreal Larch Forest, Weili Liu, Jiaxing Zu, B. Liu, Lin Qi, Wei Huang, Yunting Fang, Jian Yang

Earth and Environmental Sciences Faculty Publications

The effects of nitrogen (N) deposition on forests largely depend on the ecosystem N status and the fates of deposited N. Boreal forests are typically N-limited ecosystems and are considered to be more efficient in retaining deposited N relative to temper- ate and tropical forests. As a primary disturbance in boreal forests, wildfires may alleviate N limitation in the burned ecosystem and increase mineralization, resulting in the altered outcomes of the N deposition.

The Surface Chemistry And Binding Interactions Of Lignin With Polymer-Encapsulated Gold Nanoparticles Acting As Model Microplastics, Oluwaseun Ayodeji Akinsola

All Master's Theses

This study investigates the surface chemistry and molecular-level interactions between lignin, a special type of natural organic matter, and polymer-capped gold nanoparticles, shedding light on the strength of adsorption between lignin and nanoscale polymer surfaces. Specifically, the study presents a variety of nanoscale polymer surfaces displaying different charged functional groups, using layer-by-layer assembly of three polyelectrolytes (polyallylamine hydrochloride (PAH)), polyacrylic acid (PAA), and poly(diallyldimethylammonium chloride (PDADMAC)) on 90 nm citrate-stabilized gold nanoparticles (AuNPs). This approach provides a library of polymer-encapsulated AuNPs for investigating the binding interactions of lignin to nanoscale polymers via spectroscopic techniques. ζ-potential, dynamic light scattering (DLS), …

Stereocontrolled Synthesis Of Lactam-Fused Tetrahydropyrans As Potential Antidiabetic Agents, Ifeyinwa Stella Anosike

All Master's Theses

Functionalized tetrahydropyrans are structural motifs in diverse natural products, including polyether antibiotics, marine toxins, pheromones, and pharmaceuticals. They are frequently used as versatile building blocks for accessing stereochemically sophisticated biologically active compounds. Specifically, functionalized bicyclic tetrahydropyrans bearing contiguous stereocenters have garnered interest in the synthesis and medicinal chemistry communities. Thus far, some synthetic methods have been developed for their construction and functionalization. These methods include Prins' cyclization reactions, intramolecular oxa-Michael reactions, hetero-Diels-Alder cyclization, ring-closing metathesis, radical cyclization, and halocycloetherification. However, these methods have some drawbacks such as the need for expensive reagents and catalysts, substrate limitations, and environmentally unfriendly conditions. …

Advanced Detection Of Sars-Cov-2 And Omicron Variants Via Mxene-Graphene Hybrid Biosensors Utilizing Nucleic Acid Probes, Jiaoli Li, Yuwei Zhang, Congjie Wei, Yanxiao Li, Zhekun Peng, Hsin Yin Chuang, Logan Pearce, Adrianus Boon, Yue-Wern Huang, Dong Hyun Kim, Risheng Wang, Chenglin Wu

Biological Sciences Faculty Research & Creative Works

Low-cost biosensors that can rapidly and widely detect viruses are critical for faster diagnosis and treatment decision-making, especially for infections. The commonly used field-effect transistor is sensitive to the biomarker's detection but struggles with precise detection, particularly of nontargets such as ions and proteins. To overcome this limitation, we developed a field-effect transistor biosensor design based on MXene-graphene materials to increase the accuracy and sensitivity of virus detection. Based on the hybridization process between two complementary DNA strands, single-stranded nucleic acids were immobilized on the sensing surface via 3-aminopropyltriethoxysilane and glutaraldehyde to capture the nucleic acids of the target virus. …

Hydrogen Molecule Adsorption On Heptazine Carbon Nitride Nanosheet Decorated Rh, Ir, Pd, And Pt Elements For Hydrogen Storage Application, Piyawat Amornthatri

Chulalongkorn University Theses and Dissertations (Chula ETD)

In this work, the hydrogen storage and sensing potential of pristine and metaldecorated heptazine carbon nitride nanosheets (hg-C3N4-NS) was investigated using density functional theory (DFT) calculations. Decoration with platinum-group metals-Rh, Ir, Pd, and Pt-was examined in two stable configurations: an off-center coordination site (Group 1) and a pore-center site (Group 2). Hydrogen adsorption was studied stepwise from one up to three H2 molecules per system to simulate the natural accumulation process. The results revealed that pristine hg-C3N4-NS exhibits only weak physisorption, whereas metal decoration markedly enhances adsorption strength. Among all systems, Ir-hg-C3N4-NS1 and Rh-hg-C3N4-NS1 showed the most exothermic adsorption energies …

Whole Genome Crispr-Cas9 Screens Identify Genes Contributing To Viral Entry And Phagocytosis, Md Saddam Hossain

Electronic Theses and Dissertations

CRISPR/Cas9 is a revolutionary technique for genome editing where Cas9 nucleases can be targeted to specific genomic sites by single-guide RNAs (sgRNAs) containing roughly 20-nucleotide sequences that are complementary to the target region. Double strand breaks created by Cas9 are repaired through non-homologous end-joining (NHEJ) in most cells, resulting in insertions and deletions leading to frame shift mutations in coding regions. Thus, the CRISPR-Cas9 system can be exploited for systematic evaluation of gene function relationships by whole genome screening. We also developed a CRISPR whole‐genome screen and counter‐screen strategy based on a pseudoviral platform that allowed identification of genes specific …

Analysis Of Toxic Chemical Agents And Therapeutics For Toxic Inhaled Agents’ Exposure, Khadija Bilkis

Electronic Theses and Dissertations

When inhaled, toxic inhalation agents (TIAs) such as cyanide (CN), ammonia and sulfur compounds (e.g. methanethiol (MeSH)) can be fatal. Many TIAs cause cellular hypoxia, cytotoxic anoxia, apnea, respiratory failure, neurodegenerative disorder, circulatory collapse, seizures, and potential death by blocking mitochondrial cytochrome c oxidase. All TIA’s have the potential to be employed as chemical warfare agents, terrorist weapons, or dangerous occupational gases. Although many TIAs are potential threats, there are minimal FDA-approved treatments for these substances useful in a mass-casualty situation. Recently, cobinamide (Cbi) has come to light as a potential antidote for MeSH poisoning. However, methods for analyzing MeSH …

Enhancement Of Antitumor Effects Of Berberine Chloride With A Copper(Ii) Complex Against Human Triple Negative Breast Cancer: In Vitro Studies, Duaa R. Alajroush, Brittney F. Anderson, Janae A. Bruce, Christian I. Lartey, Dazonte A. Mathurin, Sean T. Washington, Tanaya S. Washington, Sidy Diawara, Sakariyau A. Waheed, Kaylin L. Thomas, Stephen J. Beebe, Alvin A. Holder

Chemistry & Biochemistry Faculty Publications

In this study, the copper(II) complex [Cu(chromoneTSC)Cl₂]•0.5H₂O•0.0625C₂H₅OH (where chromoneTSC = (E)-N-Ethyl-2-((4-oxo-4H-chromen-3-yl)methylene)-hydrazinecarbothioamide) was synthesized and characterized; then used to carry out in vitro studies in combination with berberine chloride (BBC). The ligand and complex were characterized by elemental analysis, FTIR and NMR (¹H and ¹³C) spectroscopy, and conductivity measurements. The cytotoxic effect was analyzed by using the CCK-8 viability assay in cancer MDA-MB-231 VIM RFP and non-cancer MCF-10A cell lines. The IC₅₀ values for the complex and BBC were 21.2 ± 1.6 and 48.3 ± 2.4 μM, respectively at 24 h incubation, while the IC₅₀ value of the combination treatment …

Advanced General Chemistry, Alexandra E. Strom

Open Educational Resources: Textbooks

Textbook adapted for CHM 118 at Smith College:

This course is for students with a very strong background in chemistry. The elementary theories of stoichiometry, atomic structure, bonding, structure, energetics and reactions are quickly reviewed. The major portions of the course involve a detailed analysis of atomic theory and bonding from an orbital concept, an examination of the concepts behind thermodynamic arguments in chemical systems, and an investigation of chemical reactions and kinetics. The laboratory deals with synthesis, physical properties and kinetics.

Development Of Lab-On-A-Chip Platforms Incorporating A Novel Acoustic Atomization Induced Pump Based On A Vibrating Sharp Edge Capillary., Balapuwaduge Lihini Tharanga Catherine Mendis

Graduate Theses, Dissertations, and Problem Reports (ETD)

Capillary Vibrating Sharp-edge Ionization device (cVSSI device) was developed by our laboratory with a low cost and an easy fabrication procedure. The generation of small liquid droplets by this technique has been used as an ionization source for mass spectrometry analysis platforms. On usual applications incorporating the cVSSI device a syringe pump was connected to the back end of the vibrating sharp tip capillary to ensure continuous loading of sample into the capillary to sustain the ionization process at the tip end of the vibrating sharp tip capillary. We were able to observe that upon the generation of droplets the …

Spiral Wave Teleportation And Multiplex Network Synchronization In Light Sensitive Belousov-Zhabotinsky Systems, Shannyn Alicia Tyler

Graduate Theses, Dissertations, and Problem Reports (ETD)

We experimentally and computationally investigate dynamical behaviors in excitable and oscillatory media using light sensitive Belousov-Zhabotinsky (BZ) systems. These systems are not in a state of thermodynamic equilibrium, and have been proven to show various interesting phenomena including spatiotemporal patterns, self-organization, and chaos. We utilize the BZ reaction, a nonlinear chemical reaction, known for its relaxation-type oscillations, to explore the dynamics of these systems.

We examine spiral wave teleportation in an excitable media as an effective alternate defibrillation method. Spiral waves have emerged as a key phenomenon associated with the initiation and persistence of cardiac arrhythmias. Using a light sensitive …

Investigation Of Space Charge Effects On Co2 Electrocatalytic Reduction On Gd-Doped Ceria Via Scanning Kelvin Probe And Model-Based Bayesian Analysis, Alejandro Mejia

Graduate Theses, Dissertations, and Problem Reports (ETD)

In studying novel energy conversion and storage systems, such as high-temperature electrolysis, numerous underlying fundamental physical processes remain unclear or inadequately understood. Among these, the modeling and comprehension of surface reaction mechanisms, coupled with the intricate effects of space‑charge interfaces, remains an unclear and challenging area of research.

The work of this dissertation involves the development of a 2D finite element analysis model, leveraging the robust MOOSE framework from INL. This model, featuring inhomogeneous defect thermodynamics for near-surface chemistry, formulated through Poisson‑Cahn variational theory, has been exploited for studying the electrocatalytic reduction of CO₂ on gadolinia doped ceria. The …

Data-Driven Modeling Of Oxygen Kinetics In La0.6sr0.4co0.2fe0.8o3−Δ (Lscf) For High-Temperature Reduction Of Co2 In An Electrolysis Cell, Ferron Campbell

Graduate Theses, Dissertations, and Problem Reports (ETD)

Electrolysis systems are critical to several societal applications, particularly energy storage and conversion. Developing these systems requires a detailed knowledge of the chemistry and thermodynamics of the materials used in the electrolysis cell. This work focuses on using embedded scientific machine learning as an efficient way to build an interpretable model for the reaction and transport kinetics in the LSCF electrode, whose performance directly influences the electrolysis system’s performance. The models developed in this study are trained using the publicly available machine learning package, FoKL-GP. This package incorporates a robust Gibbs sampler that employs a forward variable selection process to …

Processing, Stability, And High-Temperature Properties Of Doped Lacro3-Based Refractory Ceramics And Composites For Harsh Environments Sensing Applications, Javier A. Mena

Graduate Theses, Dissertations, and Problem Reports (ETD)

In order to test and monitor the operational stability and conditions of various energy, transportation, and manufacturing systems and their components, accurate sensors capable of operating at temperatures over 1000 °C in various environments for long durations are required. In addition, many of these harsh environmental systems do not permit sensors to be directly inserted into the environment, so the sensors need to be embedded into the surrounding support or thermal protective materials. Some technological and industrial applications that require the use of harsh environment conditions sensing include nuclear and chemical reactors, jet engines, heavyduty gas turbines, rotating bearings in …

Nickel-Catalyzed Regioselective Three-Component Coupling Of Phenyl Vinyl Sulfones With Alkynes, Stephen M. Long

Graduate Theses, Dissertations, and Problem Reports (ETD)

Benzene rings are some of the most prevalent motifs found in small molecule drugs with only a few dominant substitution patterns, 1-, 1,2-, 1,4-, and 1,2,4-. Nucleophilic aromatic substitution and electrophilic aromatic substitution are traditional methods for the synthesis of substituted benzenes and are robust and commonly used by chemical manufacturers, which explains in part the observed distribution of substitution patterns. Current methods to access substituted benzenes comprise of transition-metal-catalyzed C-H activation, transition-metal-catalyzed cross-coupling, and aryne chemistry. In general, the present methods require directing/leaving groups in specific positions to proceed, which inherently puts a limitation on substrate scope. Transition-metal-catalyzed [2+2+2] …

The Relationship Between Metacognition, Study Strategies, And Students’ Performances In General Chemistry And Organic Chemistry Courses, Nghiem Uy Tieu

Graduate Theses, Dissertations, and Problem Reports (ETD)

Many students find General Chemistry challenging, and studies have shown a link between students’ grades in chemistry and a decrease in interest in STEM fields. Similarly, Organic Chemistry has also been typically identified as a difficult course for many undergraduate students and has a notoriously high failure rate. Numerous studies have explored various methods to enhance students’ performance and experience in both General Chemistry and Organic Chemistry, but there hasn’t been much focus on students’ study strategies. In addition, metacognition, the skill of thinking about one’s thinking, had been proven in studies as a vital role in enhancing students’ achievements. …

C–H Alkylation Of Diol Substrates Using Bifunctional Boronic Acid Catalysts, Matthew Ryan Ross

Graduate Theses, Dissertations, and Problem Reports (ETD)

Boronic acid catalysts in combination with a Lewis base have been used in previous work to perform site-selective C–H alkylation reactions targeting the α-hydroxy C–H bond of diols through a photoredox activated hydrogen atom transfer. This is done by accessing a tetracoordinate boronic acid – Lewis base complex which then mediates the hydrogen atom transfer. The research hypothesizes that combining the boronic acid and Lewis base into one molecule not only simplifies the reaction but also has the potential to unlock C–H alkylation sites previously inaccessible. This is plausible because the Lewis base portion of the synthesized bifunctional boronic acid …