Analytical Chemistry Commons^™

Taking A Deeper Look: Attributing Tonal Values Of Photolumens To Their Emulsions Using Scanning Electron Microscopy, Anna M. Moore

All Theses

This thesis examines whether tonal variation in photolumens made with historic silver gelatin photographic papers can be linked to differences in elemental composition. Photolumens are cameraless photographic images created by placing objects directly on light-sensitive paper and exposing them to ultraviolet light. Because expired and historic darkroom papers often produce unpredictable colors and tones, this study asks whether visually defined tonal groups also show measurable chemical differences.

Twenty historic paper samples were exposed, documented, and sorted into five tonal groups based on visible image characteristics. Each sample was then analyzed using scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) …

Absolute Quantification And Identification Of Rna From Rna-Lipid Nanoparticles Using High Resolution Mass Spectrometry, Jason C. Funderburk

Theses and Dissertations

RNA therapeutics are a rising drug category with potential use for a range of conditions encompassing infectious diseases to therapies for cancer, diseases, and genetic disorders. RNA-lipid nanoparticles (RNA-LNPs) are the prominent delivery method for these therapeutics approved products include mRNA vaccines and polyneuropathy treatments. The emergency use authorizations and orphan drug status of current RNA-LNP drugs has allowed approval without finalization of the regulatory analytical procedures for quality monitoring. The objective of the study was to develop an LC-MS assay to simultaneously measure identity and concentration of two therapeutically relevant intact RNA constructs extracted from RNA-LNPs to enhance quality …

Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran

Electronic Theses & Dissertations (2024 - present)

Anion exchange membrane water electrolysis (AEMWE) presents a promising pathway toward cost-effective and sustainable hydrogen production by integrating the chemical robustness of alkaline systems with the compact, zero-gap design of proton exchange membrane electrolyzers. However, the widespread implementation of AEMWE is limited by the availability of highly active and durable platinum-group-metal (PGM)-free catalysts and by an incomplete understanding of their degradation behavior under realistic operating conditions.

This dissertation focuses on the development, characterization, and mechanistic investigation of nanostructured MoNi₄–MoO₂-based electrodes for efficient and stable hydrogen generation under alkaline and membrane-integrated environments. MoNi₄–MoO₂ nanorods …

Simulating Chemiluminescence Spectra Of Oh Radical Using Quantum Dynamical Simulations, Triet M. Cao

Research from the Berry Summer Thesis Institute, 2025

Chemiluminescence is a phenomenon of light emission that occurs when molecules transition from an excited state to the ground state. This phenomenon is widely utilized in applications ranging from quantifying product yields in chemical reactions to biological imaging and atmospheric chemistry studies. It has also been used in many crucial applications in the scarce conditions of heat and electricity, such as light sources for astronomy discovery or deep-sea diving. A notable example of such reactions is combustion, where highly reactive hydroxyl radicals (OH) are products. These radicals exhibit a chemiluminescence spectrum because of the interaction between their ground state and …

Molecular Insights: Advances In Single Molecule And Single Particle Detection For Analysis Of Chemical, Physical, And Biological Phenomena, James Ethan Batey

Chemistry & Biochemistry Undergraduate Honors Theses

This thesis is focused on recent advancements made in the field of chemical imaging, optical microscopy, and recent developments that have improved spatial, temporal, or spectral resolution or have made certain techniques more accessible and cost effective for their wider adoption. This thesis is organized based on the systems of interest we studied with each new technique. Although, it is important to note that many of the methods here can be used with a multitude of systems even if not explicitly mentioned. The first chapter of this thesis will discuss the current state of chemical imaging, common terminology, and important …

Impact Of Y-Mixer Geometry And Flow Rate Modulation On Chemical Gradient Generators In Microfluidic Devices, Elizabeth Thurston Hutton

College of Graduate Studies: Theses & Dissertations

Various microfluidic structures are devised to generate tunable, stable spatiotemporal chemical gradients for single-cell studies. This work addresses the role of Y-mixer junctions in generating nonlinear gradients by increasing the width of one arm (bias), which is suspected to cause premature diffusion within the mixer. This study introduced a cinching feature to narrow the wider arm locally and redefine the junctions of these biased Y-mixers using four novel geometries defined by a 5-micrometer drawing rule. Furthermore, three flow rate factors allowed us to explore the impact on the generated gradient landscapes. The results showed that the four novel designs similarly …

Confocal Raman Spectroscopy Coupled With In Vitro Permeation Testing To Study The Effects Of Formalin Fixation On The Skin Barrier Function Of Reconstructed Human Epidermis, Hichem Kichou, Franck Bonnier, Amanda C. Caritá, Hugh Byrne, Igor Choupra, Emilie Munnier

Articles

Confocal Raman Spectroscopy is recognised as a potent tool for molecular characterisation of biological specimens. There is a growing demand for In Vitro Permeation Tests (IVPT) in the pharmaceutical and cosmetic areas, increasingly conducted using Reconstructed Human Epidermis (RHE) skin models. In this study, chemical fixation of RHE in 10% Neutral Buffered Formalin for 24 hours has been examined for storing RHE samples at 4°C for up to 21 days. Confocal Raman Spectroscopy, combined with Principal Components Analysis, revealed the molecular-level effects of fixation, notably in protein and lipid conformation within the stratum corneum and viable epidermis. IVPT by means …

Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul

Makara Journal of Science

Ancient potteries offer valuable information regarding technological advancements, life dynamics, cultural diversity, and trade routes in the past. Earthenware, stoneware, and porcelain from Southeast Asia have been characterized using several analytical techniques, as reviewed in this article. Fluorescent and diffracted X-rays give rise to elemental and phase compositions, respectively. Examination of molecular bonds requires vibrational spectroscopy, which is useful for the identification of organic materials in ancient potteries. With the advent of portable X-ray fluorescence and Raman spectrometry, on-site analysis of archeological ceramics is now possible. For in-depth analysis, synchrotron light sources can provide new insights into artifacts through X-ray …

Raman Spectral Cytopathology For Cancer Diagnostic Applications, Fiona Lyng, Damian Traynor, Isha Behl, Declan O'Dea, Hugh Byrne

Books/Book Chapters

Histopathology is currently regarded as the “gold standard” patient sampling technique for cancer diagnostics. It involves extraction of a tissue sample, or biopsy, which is then sectioned and stained for evaluation by a pathologist [1]. Cytopathology, on the other hand, is the field of disease diagnosis at the cellular level [2], necessitating only the microscopic evaluation of samples of cells which can be harvested by less invasive methods such as exfoliative brushing, needle probes or from biofluids. Based on the identification of abnormalities in cellular appearance, cytopathology is currently widely used to aid in the screening of cancer, as well …

Modeling Accuracy Matters: Aligning Molecular Dynamics With 2d Nmr Derived Noe Restraints, Milan Patel

Honors Scholar Theses

Among structural biology techniques, Nuclear Magnetic Resonance (NMR) provides a holistic view of structure that is close to protein structure in situ. Namely, NMR imaging allows for the solution state of the protein to be observed, derived from Nuclear Overhauser Effect restraints (NOEs). NOEs are a distance range in which hydrogen pairs are observed to stay within range of, and therefore experimental data which computational models can be compared against. To that end, we investigated the effects of adding the NOE restraints as distance restraints in Molecular Dynamics (MD) simulations on the 24 residue HP24stab derived villin headpiece subdomain to …

Non-Destructive Imaging Of Phytosulfokine Trafficking In Plants Using Fiber-Optic Fluorescence Microscopy, Bernard Abakah

Electronic Theses and Dissertations

Plants secrete peptide ligands and use receptor signaling to respond to stress and control development. Understanding these phenomena is key to improving plant health and productivity for food, fiber, and energy applications. Phytosulfokine (PSK), a sulfated peptide hormone, regulates plant cell division, growth, and stress tolerance via specific phytosulfokine receptors (PSKRs). This study uses fiber-optic fluorescence microscopy to elucidate trafficking of PSK in live plants. The microscope features two-color optics and an objective lens connected to a 1-m coherent imaging fiber mounted on either a conventional upright microscope body or 5-axis positioning system (X–Y–Z plus pitch and yaw). PSK and …

Molecular Insights Into The Redox Of Atmospheric Mercury Through Laser Spectroscopy, Rongrong Wu Cohen

Theses and Dissertations

The widespread pollution of mercury motivates research into its atmospheric chemistry and transport. Gaseous elemental mercury (Hg(0)) dominates mercury emission to the atmosphere, but the rate of its oxidation to mercury compound (Hg(II)) plays a significant role in controlling where and when mercury deposits to ecosystems. Atomic bromine is regarded as the main oxidant for Hg(0) oxidation, known to initiate the oxidation via a two-step process in the atmosphere – formation of BrHg (R1) and subsequent reactions of BrHg with abundant free radicals Y, i.e., NO2, HOO, etc. (R2), where the reaction of BrHg +Y could also lead to the …

Characterization Of Nanoparticles Using Inductively-Coupled Plasma Mass Spectrometry, Jabez D. Campbell

Graduate Theses/Dissertations

Nanomaterials are a relatively new class of materials that have many applications which span a wide host of fields from medical products to consumer products. The possible compositions and forms of nanomaterials are just as varied as the applications. Therefore, a versatile characterization method is needed for researchers and regulators alike to ensure nanomaterials are properly used. Single Particle Inductively Coupled Plasma Mass Spectrometry (SP-ICP-MS) is a functional method that could fill the characterization need in the nanomaterial research field. Using data from both SP-ICP-MS tests and data from literature established characterization methods, the viability of making SP-ICP-MS the standard …

Electrochemical And Spectroscopic Characterization Of Cerium Salts And Nanoceria Material, Emily Velarde, Wei Zhou

Symposium of Student Scholars

The nanoscale form of cerium oxide, nanoceria (nano-CeO_x), has drawn great attention in recent years in electrochemical, nanomaterial research and medicinal studies due to its antibacterial properties, UV absorption, and its biochemical function as possible radical scavenger. Many new synthesis methods have achieved uniform and biocompatible nanoceria particles, and our lab has created cerium oxide particles that shows UV/Vis. absorption and X-ray patterns similar to the commercial nanoceria and nanoceria made in other research laboratories with novel synthetic methods.

This study focuses on charactering and comparing electrochemical properties of cerium inorganic salts and synthesized nanoceria. Preliminary results …

Mechanism Of Action Of Dihydropteridine Reductase, Gabriela Arias De La Rosa

Dissertations, Theses, and Capstone Projects

Human dihydropteridine reductase is an enzyme that transfers a hydride from NADH to reduce quinonoid 7,8-dihydropterin (qBH₂) to 5,6,7,8-tetrahydropterin (BH₄), which is a cofactor important in the production of neurotransmitters.DHPR deficiency causes a drastic form of the neurological genetic disease phenylketonuria (PKU) that does not benefit from a phenylalanine-free diet.From site-directed mutagenesis studies, mostly on Rat DHPR, we know that certain residues are important for cofactor binding, substrate binding, and hydride transfer; however, there are still some questions about how DHPR works, particularly, because there is not a crystal structure of the tertiary complex: What is …

Using The Marcus Inverted Region And Artificial Cofactors To Create A Charge Separated State In De Novo Designed Proteins, Eskil Me Andersen

Dissertations, Theses, and Capstone Projects

To create an efficient de novo photosynthetic protein it is important to create long lived charge separated states. Achieving stable charge separation leads to an increase in the efficiency of the photosynthetic reaction which in turn leads to higher yields of end products, such as biofuels, electrical charge, or synthetic chemicals. In an attempt to create charge separated states in de novo proteins we hypothesized that we could engineer the free energy gaps in the proteins from excited primary donor (PD) to acceptor (A), and A back to ground state PD such that the forward electron transfer (ET) would be …

Advanced Raman Spectroscopy Detection Of Oxidative Damage In Nucleic Acid Bases: Probing Chemical Changes And Intermolecular Interactions In Guanosine At Ultralow Concentration, Francesca Ripanti, Claudia Fasolato, Flavia Mazzarda, Simonetta Palleschi, Marina Ceccarini, Chunchun Li, Margherita Bignami, Enrico Bodo, Steven E.J. Bell, Filomena Mazzei, Paolo Postorino

Bioelectrics Publications

DNA/RNA synthesis precursors are especially vulnerable to damage induced by reactive oxygen species occurring following oxidative stress. Guanosine triphosphates are the prevalent oxidized nucleotides, which can be misincorporated during replication, leading to mutations and cell death. Here, we present a novel method based on micro-Raman spectroscopy, combined with ab initio calculations, for the identification, detection, and quantification of oxidized nucleotides at low concentration. We also show that the Raman signature in the terahertz spectral range (<100 >cm(-1)) contains information on the intermolecular assembly of guanine in tetrads, which allows us to further boost the oxidative damage detection limit. Eventually, we …

Nitrogen-Doped Graphene-Based Metal Composites For The Non-Enzymatic Detection Of Hydrogen Peroxide, Tajabadi Poor Mohammad Taghi

Student Works (2020-2029)

Recently, much attention has been devoted to detecting hydrogen peroxide (H2O2) because of its extensive range of applications in chemical synthesis, the textile industry, food production, fuel cell devices, and even in many oxidative biological reactions. Among the various methods of detection of H2O2, electrochemical sensors has many advantages, such as simplicity, high efficiency and sensitivity, as well as good selectivity., To improve the sensitivity of non-enzymatic sensors, noble metal nanoparticles with particular electrocatalytic activities can be utilized. The present research is aimed to design a hybrid approach for the development of novel nanostructures for non-enzymatic detection of H2O2. Herein, …

Comparison Of The Vibrational Modes Of Thiolated Gold Nanoparticles Undergoing Core-Conversions Via Raman Spectroscopy, William Gregory Cannella Jr.

Honors Theses

In this project, the vibrational characteristics/vibrational modes are explored via Raman Spectroscopy for thiolated-gold nanoparticles. This class of compounds is also known as gold nanoparticles (AuNPs). They remain of great interest in research areas such as catalysis, gold dependent nanoelectronics, drug delivery, and sensing, due to their unique size-dependent optical, chiroptical, and electronic properties. Vibrational spectroscopy of thiolated gold nanoparticles are oftentimes considered nontrivial as the compounds strongly absorb light in the visible region of the electromagnetic spectrum, are generally considered weak scatterers, and give off large amounts of fluorescence. This combined with their black appearance, susceptibility to localized heating, …

Enhanced Acidity Of Acetic And Pyruvic Acids On The Surface Of Water, Alexis J. Eugene, Elizabeth A. Pillar, Agustín J. Colussi, Marcelo I. Guzman

Chemistry Faculty Publications

Understanding the acid–base behavior of carboxylic acids on aqueous interfaces is a fundamental issue in nature. Surface processes involving carboxylic acids such as acetic and pyruvic acids play roles in (1) the transport of nutrients through cell membranes, (2) the cycling of metabolites relevant to the origin of life, and (3) the photooxidative processing of biogenic and anthropogenic emissions in aerosols and atmospheric waters. Here, we report that 50% of gaseous acetic acid and pyruvic acid molecules transfer a proton to the surface of water at pH 2.8 and 1.8 units lower than their respective acidity constants pK_{a …}

Plasmon-Enhanced Optical Sensing By Engineering Metallic Nanostructures, Peng Zheng

Graduate Theses, Dissertations, and Problem Reports (ETD)

The world’s booming population projected to reach 10 billion by 2050 causes enormous stresses on environmental safety, food supply, and healthcare, which in return threatens human civilizations. One of the most promising solutions lies at innovating point-of-care (POC) sensing technologies to conduct detection of environmental hazards, monitoring of food safety, and early diagnosis of diseases in a timely and accurate manner. The discovery of surface-enhanced spectroscopy in the 1970s has significantly stimulated research on light-matter interaction which gives rise to enhanced optical phenomena such as surface-enhanced Raman scattering (SERS), plasmon-enhanced fluorescence (PEF), and particularly, they have found enormous applications in …

Micro-Spectroscopy Of Bio-Assemblies At The Single Cell Level, Jeslin Kera

Honors Undergraduate Theses

In this thesis, we investigate biological molecules on a micron scale in the ultraviolet spectral region through the non-destructive confocal absorption microscopy. The setup involves a combination of confocal microscope with a UV light excitation beam to measure the optical absorption spectra with spatial resolution of 1.4 μm in the lateral and 3.6 μm in the axial direction. Confocal absorption microscopy has the benefits of requiring no labels and only low light intensity for excitation while providing a strong signal from the contrast generated by the attenuation of propagating light due to absorption. This enables spatially resolved measurements of single …

Graphene Quantum Dots Electrochemistry And Development Of Sensitive Electrochemical Biosensor [Hybrid Poster 1-B], Tyler Smith, Alexander Banaszak

Posters-at-the-Capitol

Graphene quantum dots (GQDs) are zero-dimensional material derived from graphene derivatives with characteristics from the structure of graphene with quantum confinement and edge effects possessing unique properties. Intense research activity in GQDs is attributed to their novel physical-chemical phenomena arising from the sp²-bonded carbon core surrounded with edge functional moieties. In this work, GQDs of optimal 5-7 nm size are investigated for their fundamental electrochemical properties and use in electrochemical sensing including enzyme-based glucose biosensor. Glucose oxidase (GO_x) was immobilized on GQDs modified glassy carbon (GC) and the UV-Vis absorption and fluorescence spectroscopy, electron microscopy, cyclic …

First-Principles Calculated Decomposition Pathways For Libh4 Nanoclusters, Zhi-Quan Huang, Wei-Chih Chen, Feng-Chuan Chuang, Eric Majzoub, Vidvuds Ozoliņš

Physics Faculty Works

We analyze thermodynamic stability and decomposition pathways of LiBH4 nanoclusters using grand-canonical free-energy minimization based on total energies and vibrational frequencies obtained from density-functional theory (DFT) calculations. We consider (LiBH4)n nanoclusters with n = 2 to 12 as reactants, while the possible products include (Li)n, (B)n, (LiB)n, (LiH)n, and Li2BnHn; off-stoichiometric LinBnHm (m ≤ 4n) clusters were considered for n = 2, 3, and 6. Cluster ground-state configurations have been predicted using prototype electrostatic ground-state (PEGS) and genetic algorithm (GA) based structural optimizations. Free-energy calculations show hydrogen release pathways markedly differ from those in bulk LiBH4. While experiments have found …

Plasma Temperature Measurements In The Context Of Spectral Interference, Brandon Seesahai

Honors Undergraduate Theses

The path explored in this thesis is testing a plasma temperature measurement approach that accounts for interference in a spectrum. The Atomic Emission Spectroscopy (AES) technique used is called Laser Induced Breakdown Spectroscopy (LIBS) and involves focusing a laser pulse to a high irradiance onto a sample to induced a plasma. Spectrally analyzing the plasma light provides a "finger print" or spectrum of the sample. Unfortunately, spectral line broadening is a type of interference encountered in a LIBS spectrum because it blends possible ionic or atomic transitions that occur in plasma. To make use of the information or transitions not …

Towards An Understanding Of Pharmacologically Induced Intracellular Changes In Nicotinic Acetylcholine Receptors: A Fluorescence Microscopy Approach, Ashley M. Loe

Theses and Dissertations--Chemistry

Upregulation of nicotinic acetylcholine receptors (nAChRs) is a well-documented response to chronic nicotine exposure. Nicotinic acetylcholine receptors are pentameric ligand-gated ion channels consisting of alpha (α2-10) and beta (β2-4) subunits. Nicotine, an agonist of nAChRs, alters trafficking and assembly of some subtypes of nAChRs, leading to an increase in expression of high sensitivity receptors on the plasma membrane. These physiological changes in nAChRs are believed to contribute to nicotine addiction, although the mechanism of these processes has not been resolved. Recently, many studies have converged on the idea that nicotine induces upregulation by an intracellular mechanism. In this dissertation, expression …

Molecular Approaches To Chromatography Using Single Molecule Spectroscopy, Lydia Kisley

Faculty Scholarship

No abstract provided.

Does A Plastron Improve Heat Transfer?, Madani A. Khan, Jeffrey Alston, Andrew Guenthner

STAR Program Research Presentations

Superamphiphobic surfaces strongly repel both water and oils. In this work, aluminum coupons are processed by sanding with various grit of sand paper to impart microscale roughness. Subsequent submersion of the aluminum substrate in boiling water grows nanoscale grass-like structures. The oxide layer of Al is slightly soluble in water. During a fast diffusion/equilibrium, Al₂O₃ nanograss grows on the surface. A low energy coating is then deposited on the surface. The micro and nanoscale features create re-entrant structures that trap air enabling contact liquid to be in a Cassie-Baxter state. Superamphiphobicity of the samples were confirmed by …

Cloning And Characterization Of Sas0754, A Hypothetical Protein From Community Associated Staphylococcus Aureus, Unknown Unknown

Symposium 2012

Community associated Staphylococcus aureus (strain MSSA476) is a gram positive cocci capable of infecting many different parts of the body and known to cause serious infections that can be fatal, such as bacterial arthritis and acute endocarditis. To find effective ways of fighting against CA-MRSA strains we must learn more about their ability to infect. The focus of this study was cloning and characterization of a protein referred to as SAS0754. The size of SAS0754 is 340 amino acids and the gene sequence is 1023 nucleotides. The hypothetical function of this protein is that it is an extracellular matrix binding …

A Convenient Synthesis Of 2,6-Dichlorohomonicotinic Acid, Chase Buchanan, Richard W. Fitch

Symposium 2012

In our synthetic efforts toward the alkaloid phantasmidine, we required a convenient source of the title compound. Herein, we describe a short synthesis of 2,6-dichlorohomonicotinic acid by direct allylation of 2,6-dichloropyridine with LDA/allyl chloride, followed by permanganate oxidation of the side chain [figure1]. Yields for the allylation are high, while permanganate oxidation required more adjustment. Successful conditions require the modest acidification of the mixture with acetic acid and cleanup by acid base workup. No chromatography is needed.