Chemistry and Materials Science
Comparing Detection Limits of GC-MS and GC-FID Using Caffeine as a Model Compound
Presenter: Christian Joseph Biadasz
Faculty Sponsor: Kathleen C. Murphy
School: Worcester State University
Research Area: Chemistry and Materials Science
Location: Poster Session 2, 11:30 AM - 12:15 PM: Room 165 [D13]

This project will define the lower limit of detection (LLOD) of caffeine using two different gas chromatograph (GC) detectors: mass spectrometer (MS) and flame ionization detector (FID). Additionally, two different modes of data collection will be used with the MS, scan and selective ion mode (SIM), and two different modes of sample injection, direct injection and solid-phase microextraction (SPME). When using SIM, the detector output is restricted to the selected mass to charge ion (m/z) eliminating background noise, increasing sensitivity, and producing a lower LOD compared to scan mode. The SIM will be set to the predominant caffeine peak of 194 m/z. The SPME technique extracts analytes from the solution and concentrates them on coated fibers. The fiber is inserted into the injection port of the GC, where analytes evaporate and move onto the column.  The divinylbenzene carbon wide range polydimethylsiloxane (DVB/CWR/PDMS) fiber SPME will be used, which readily adsorbs a wide range of carbon compounds, including caffeine. This sample preparation produces significantly lower LOD compared to solution injection. The FID is a less sophisticated detector design than the MS, and responds well to carbon-containing compounds.  Its LOD will be compared to the MS scan and SIM. Caffeine was selected for this project because it is readily available, non-hazardous, and present in numerous consumer products. After LODs are determined using MS and FID, caffeine in beverages will be quantified and compared to product labels.
Determination of Caffeine and Acetic Acid in Kombucha Fermentation Through HPLC and Titration
Presenter: Kaitlyn Rutter
Faculty Sponsor: Kathleen C. Murphy
School: Worcester State University
Research Area: Chemistry and Materials Science
Location: Poster Session 2, 11:30 AM - 12:15 PM: Room 165 [D14]

This research project will quantify caffeine and acetic acid in two different kombuchas: one made with black tea, and one made with green tea. The concentration of these two analytes in the popular fermented beverages will be analyzed over a 21-day fermentation period using high-performance liquid chromatography (HPLC) and acid-base titration. Each type of tea contains a specific amount of caffeine but the acetic acid content, being a product of the fermentation process will change over time. Kombucha samples collected at 7-day intervals will be analyzed with HPLC using standard addition. Additionally, acetic acid content quantified with HPLC will be compared to total acidity quantified with titration. Each collection will be stored in a 20°-22°C freezer to prevent further fermentation. The laboratory results will compare the fermentation kinetics of each tea. Both green tea and black tea come from the same plant known as Camellia sinensis. However, in green tea the leaves are steamed while they are still green to prevent oxidation and in black tea the leaves are left to wither and turn black after being harvested allowing them to oxidize. Due to this, black tea is expected to have a higher caffeine level than green tea. Both kombuchas are hand made with their respective teas and a symbiotic culture of bacteria and yeast (SCOBY).

Quantitative Evaluation of Ethanol and Acetic Acid Dynamics in Black and Green Tea Kombucha Using HPLC and Headspace GC
Presenter: Syeda Faatima Zahraa Adnan
Faculty Sponsor: Kathleen C. Murphy
School: Worcester State University
Research Area: Chemistry and Materials Science
Location: Poster Session 2, 11:30 AM - 12:15 PM: Room 165 [D15]

This study investigates fermentation kinetics in black tea and green tea kombucha by quantifying changes in ethanol and acetic acid concentrations over a 21-day fermentation period. Kombucha is produced using a symbiotic culture of bacteria and yeast (SCOBY), in which yeast convert sugars into ethanol through anaerobic fermentation and acetic acid bacteria subsequently oxidize ethanol into acetic acid under aerobic conditions. The primary objective of this project is to evaluate whether ethanol depletion directly corresponds to acetic acid accumulation during fermentation and to determine whether tea type influences metabolic progression due to differences in substrate composition.

Kombucha samples are collected at 7-day intervals and stored at 20 °C to prevent further fermentation prior to analysis. Acetic acid concentrations are quantified using high-performance liquid chromatography (HPLC) with standard addition to improve analytical accuracy and compensate for matrix effects. Ethanol concentrations are measured using headspace gas chromatography (GC), which analyzes volatile organic compounds in the vapor phase above sealed liquid samples. An internal standard is incorporated into the GC method to improve precision and account for variability in sample preparation and injection.

By comparing metabolic trends between green and black tea substrates, this project aims to characterize the biochemical relationship between ethanol oxidation and acetic acid production within the SCOBY consortium and to assess how substrate composition influences microbial activity and fermentation dynamics.

Characterization of Mg (TFSI)2 Electrolytes in Symmetric and Beaker Cells and Investigative Electrolyte Capacity for Energy Storage Applications
Presenter: Kristyn Lara
Faculty Sponsor: NIYA SA
School: UMass Boston
Research Area: Chemistry and Materials Science
Location: Poster Session 3, 1:15 PM - 2:00 PM: Campus Center Auditorium [A1]

Magnesium-ion systems are a promising alternative to their lithium-ion battery counterparts, providing an opportunity for low-cost, larger-scale capabilities in manufacturing, as well as a sustainable and safer alternative for energy storage. The characterization of the electrochemical nature of Magnesium bis (trifluoromethanesulfonimide) (Mg (TFSI)2) electrolyte system is investigated through the usage of electrochemical techniques to identify its morphological influence on electrode surfaces, reversibility, and kinetics. This electrochemical methodology (CE, CV, EIS, SEM) demonstrates electrolyte potential the magnesium ions. Incorporating preliminary data gathered from beaker cells establishes a base for a transition to coin cell data and analysis. Beaker cells detail a “three-electrode” system, isolating the behavior of the electrolyte for an understanding of the inherent properties of Mg (TFSI)2. However, coin cells provide an applied and symmetric “two-electrode” system that enacts electrolyte performance and battery conditions that more accurately represent real-world conditions working under limited volume and pressure.

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Investigating the Role of Solution pH on the Formation of Shape-Controlled Au Nanocrystals
Presenter: Mahri Luxi Hayden
Faculty Sponsor: Joseph S. DuChene
School: UMass Amherst
Research Area: Chemistry and Materials Science
Location: Poster Session 3, 1:15 PM - 2:00 PM: Campus Center Auditorium [A8]

The shape control of metal nanocrystals has attracted significant attention due to their localized surface plasmon resonance properties, which offer wide-ranging applications in catalysis, electronics, photonics, and biomedicine. These shape-dependent optical responses have motivated extensive efforts to develop synthesis strategies capable of producing anisotropic Au nanostructures with tunable plasmonic absorption across the visible spectrum. Thus far, several strategies have been developed to control the morphology of Au nanoparticles, such as seed-mediated and seedless colloidal syntheses, and electrochemical synthesis. The investigation of colloidal synthesis of Au nanoparticles includes varying capping agents, reducing agents, temperature, and solution pH. Here, an already established seedless method for Au triangular nanoprisms was used to investigate the role of solution pH on the shape yield of the nanoprisms. The solution pH provides a simple way to modify reduction kinetics by altering the speciation of ascorbic acid (AA) in solution. We are investigating how the overall growth rate of the Au nanoparticles impacts the shape yield of Au nanoprisms and the size distribution. We anticipate that by altering the growth rate, it may be possible to not only optimize the shape yield and nanoprism uniformity, but also provide a simple route to obtaining other Au nanoparticle morphologies. By elucidating the relationship between nanoparticle growth rate and morphology, the results of these studies will be used to inform our development of electrochemical syntheses for anisotropic Au nanoprisms.
Solid Lipid Nanoparticle Formulations of Curcumin for Improved Bioavailability
Presenter: Brandon Christopher Perkins
Faculty Sponsor: Changqing Chen
School: Salem State University
Research Area: Chemistry and Materials Science
Location: Poster Session 3, 1:15 PM - 2:00 PM: Campus Center Auditorium [A31]

Curcumin is a naturally occurring bioactive molecule that belongs to the class of molecules called curcuminoids. It is extracted from the rhizome of Curcuma longa and is most notably found in turmeric, being the primary pigment for its bright orange color. The compound has been researched extensively due to its antioxidant, anti-inflammatory, antimicrobial, anticancer and wound healing properties as well as its potential therapeutic applications in diseases such as Alzheimer’s Disease (AD). Curcumin has been shown to bind to amyloid-beta plaques, which are a hypothesized cause of AD, and has been shown to be a promising treatment and diagnostic probe. However, curcumin is not water soluble and has very low bioavailability in the human body. Solid lipid nanoparticles (SLNs) provide a viable approach by using their hydrophobic properties to protect and separate the encapsulated drug from the surrounding aqueous environment. Their solubility and effectiveness depend on their specific formulation. Our research investigates SLN formulations for increased solubility and emulsification of curcumin in aqueous solutions. A procedure was developed to test SLN stability in simulated gastric acid. Curcumin concentrations over time were determined using UV/Vis spectroscopy based on a standard curve. The most stable formulation was further investigated and characterized using fluorescence microscopy and Infrared (IR) spectroscopy.

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A DoE Driven Mechanistic Framework for Maximizing NTP Incorporation and Minimizing dsRNA Impurities in IVT.
Presenter: Arundhati Bhat
Faculty Sponsor: Craig T. Martin
School: UMass Amherst
Research Area: Chemistry and Materials Science
Location: Poster Session 4, 2:15 PM - 3:00 PM: Campus Center Auditorium [A28]

mRNA therapeutics are an up and coming therapeutic platform with an expansive application in medicine. To facilitate the advancement of mRNA therapeutics the optimization of RNA manufacturing with limited impurities is essential. Currently there are several concerns in RNA manufacturing including cis primed extension, trans primed extension, 3′ overhang initiation and abortive RNAs. Such impurities can trigger an innate response hence impurities in mRNA should be limited. The development of the co-tethered approach minimizes dsRNA formation during in vitro transcription (IVT). In industry, NTP incorporation for IVT is limited. Through a design of experiments (DoE) approach, the goal is to maximize NTP incorporation to produce higher yields of RNA in combination with the co-tethered approach. dsRNA content will be assessed using a molecular beacon developed and designed to quantify the ratio of dsRNA to total RNA using fluorescence. The decided IVT conditions will be interpreted within a mechanistic framework to ensure consistency and reproducibility across different experimental conditions. By integrating these mechanistic insights with empirical DoE data, an optimized RNA manufacturing protocol can be established. This refined approach aims to increase the purity of mRNA produced by reducing immunogenic impurities and maximize NTP incorporation to drive higher RNA yields. Ultimately, such an approach broadens the scope of mRNA applications and furthers foundational mRNA research.
Evaluating the Feasibility of Thin Films Research and Education at a Community College Level
Presenter: Joshua Lee
Faculty Sponsor: George Willaim Griffin
School: Bunker Hill Community College
Research Area: Chemistry and Materials Science
Location: Poster Session 4, 2:15 PM - 3:00 PM: Campus Center Auditorium [A29]

As demand for artificial intelligence and advanced computing hardware continues to grow, so too does the need for the foundational research that enables these technologies. One such area of research is thin films. Thin films describe engineered material coatings, often just nanometres to micrometres thick, that fall within surface chemistry and materials science. These films can exhibit behavior differently than in bulk, and have enabled many advances in optics, electronics, and sensors, making their study crucial for maintaining global demand for the previously mentioned technologies. However, with the rising cost of tuition in America, more students are now starting their academic careers at community colleges instead of four-year institutions, making it crucial for community colleges to update their curricula to accommodate growing demand for the field.

This study therefore examines the feasibility of implementing thin films coursework to supplement existing chemistry and engineering programs at community colleges, with the criterion for success evaluated through available funding, equipment, as well as government policies which support thin films research and education. To further contextualize these findings, a constrained attempt at thin film synthesis was also conducted using materials and equipment accessible within a community college laboratory. Rather than demonstrating successful film fabrication, this attempt aims to document the procedural, technical, and institutional barriers that students may encounter when conducting thin film experimentation.

Exploring Neutrophil Interactions with Various Ligands in the Context of Neutrophil Extracellular Traps (NETs)
Presenter: Fawad Shahab Hussain
Faculty Sponsor: Igor Kaltashov
School: UMass Amherst
Research Area: Chemistry and Materials Science
Location: Poster Session 4, 2:15 PM - 3:00 PM: Campus Center Auditorium [A30]

Neutrophil extracellular traps (NETs) are web-like structures composed primarily of decondensed chromatin, histones, and proteins that are released by neutrophils in response to inflammation or infectious stimuli. While NET formation plays a protective role in defending the host, a dysregulation of NETosis or overactivation can cause worsened inflammation and tissue injury or thrombosis. Lactoferrin, a highly positive glycoprotein, is abundant in neutrophil cells, and has shown to be an important regulator of NET biology due to its antimicrobial and nucleic acid-binding properties. In the context of NETs, lactoferrin can interact with several negatively charged ligands, including DNA, polyphosphate, heparin, and polysialic acid, which may affect NET structure and stability, especially in relation to downstream inflammatory and coagulatory pathways. Despite this, the specific molecular details of these non-covalent interactions, such as stoichiometry and binding affinity, remain relatively unexplored. This literature review aims to summarize current research on NET composition and function, the role of lactoferrin, activity of relevant protein-binding ligands, and the overall impact on health with a focus on immunothrombosis. There is also a focus on analytical approaches such as native mass spectrometry and size-exclusion chromatography as powerful techniques for characterizing protein-ligand complexes under close-to-physiological conditions. Such an understanding of lactoferrin and its interactions with various ligands in the context of NETs can provide a foundation for the development of therapeutic strategies that can target the regulation of inflammation and thrombosis.
Using Machine-Learned Potentials to Investigate Reactivity in the Chemically Inert Indium–Carbon System at Extreme Pressures
Presenter: Kaiden Boisjolie
Faculty Sponsor: James Walsh
School: UMass Amherst
Research Area: Chemistry and Materials Science
Location: Poster Session 4, 2:15 PM - 3:00 PM: Campus Center Auditorium [A31]

The scientific pursuit of materials discovery has significant potential to revolutionize technology through the development of new materials with superlative properties, such as spin-liquid behavior, superconductivity, and platinum-like catalysis. The development of these material properties has vast implications across a range of applications, such as nuclear fusion, energy storage, and quantum computing. Promising materials might be found in the indium–carbon system, which currently has no known phases. This is unfortunate, as a compositionally similar material, indium nitride, has notable semiconducting behavior. Despite this possible significance, the search for stable or metastable binary-phase indium carbide has remained unexplored. Using computational methods, this research aims to determine the possibility of stable phases in this system. The method of density functional theory (DFT) with ab initio random structure search (AIRSS) is used to explore the phase space of this material for phases with thermodynamic stability. Machine-learned interatomic potentials, specifically using ephemeral data derived potentials (EDDPs), are trained on DFT data to reduce the computational cost of geometry optimization, allowing for the exploration of low-symmetry In–C phases. Lastly, phonon-dispersion calculations are used to test for dynamical stability. This will produce a good understanding of the feasibility of synthesizing phases in the In–C system, and will direct further theoretical, and possibly experimental research into a new class of materials.
Eludicating the Design Factors Governing High-Entropy Polymer-Electrolytes for Multifunctional Energy Storage
Presenter: Elijah John Facchiano
Faculty Sponsor: Maricris Mayes
School: UMass Dartmouth
Research Area: Chemistry and Materials Science
Location: Poster Session 4, 2:15 PM - 3:00 PM: Campus Center Auditorium [A32]

Technological progress in electric vehicles, consumer electronics, and autonomous systems depends on advanced energy storage solutions capable of delivering high performance without increasing device footprint. The energy capacity of current devices is largely constrained by the space allotted to traditional batteries, leaving structural components as untapped sources of additional energy storage. One promising strategy to enhance the energy storage capabilities of these devices is to incorporate energy storage into the structural components by designing high-entropy polymer-electrolyte mixtures. However, a persistent challenge in developing structural energy storage devices is balancing mechanical properties and electrochemical performance. Here, we use molecular dynamics simulations to investigate polymer-electrolyte systems consisting of binary mixtures of poly(lactic acid), poly(ethylene terephthalate), and poly(methyl methacrylate) with lithium bis(trifluoromethylsulfonyl)imide as a potential solution to balancing these properties. Our computational models reproduce the experimental trends in density, glass transition temperatures, and mechanical strength. These trends show that mixed polymer systems tend to exhibit higher ionic conductivity while maintaining mechanical strength, with a 25% PLA/75% PMMA mixture yielding the best balance. By identifying specific structural motifs that govern this balance, we aim to establish general design principles for structural polymer-electrolytes. Moving forward, these descriptors will be used to train a machine learning model to accelerate the discovery of additional high-performance mixtures for the next generation of energy storage.

Novel Enzyme Mediated Approach to Polymer-Protein Conjugation
Presenter: Sydney Nicole Tor
Faculty Sponsor: Todd Emrick
School: UMass Amherst
Research Area: Chemistry and Materials Science
Location: Poster Session 4, 2:15 PM - 3:00 PM: Campus Center Auditorium [A34]

The covalent attachment of polymers to therapeutic proteins enhances their efficacy and holds promise for improving targeting. For example, polyethylene glycol (PEG)-protein bioconjugates are found to prolong in vivo circulation half-life by increasing the hydrodynamic radius of the protein, thus reducing the necessary dosing frequency. However, emerging data suggests an acquired immune response associated with PEG. Moreover, PEGylation reagents lack site specificity, leading to low yields and laborious separations. Our studies on polymer zwitterionic hold promise as therapeutic biomaterials due to their extensive hydrophilicity combined with their low immunogenicity, and the exceptional potential for structure functionalization. This presentation will focus on a novel enzyme-induced bioconjugation method, using the enzyme tyrosinase, implemented for high site specificity and versatility. The protein selected was Bovine Serum Albumin (BSA), due to its role in blood plasma production and cost- effectiveness. BSA contains a single surface thiol far from its active sites. Poly(2- methacryloyloxyethyl phosphorylcholine) (PMPC)-based copolymers were synthesized using RAFT polymerization, to produce structures with pendant phenols. In aqueous buffer, tyrosinase oxidizes the phenolic groups, increasing their electrophilicity towards free thiols to yield protein-zwitterion conjugates. The advantages of this method are compared to the synthesis and conjugation of pentafluorophenyl ester-terminated- poly(MPC), which reacts with amines on protein surfaces. The polymers used in bioconjugation are tested in vitro with healthy and cancerous human cells in cytotoxicity assays. The greater goal is to implement this coupling method to attach functional polymer zwitterions to therapeutic antibodies, creating new types of antibody-polymer-drug conjugates (APDCs).

Iridium-NSAID Complexes and Their Biological Properties
Presenter: Asher M. Easter
Faculty Sponsor: Dennis Awasabisah
School: Fitchburg State University
Research Area: Chemistry and Materials Science
Location: Poster Session 4, 2:15 PM - 3:00 PM: Campus Center Auditorium [A35]

Non-steroidal anti-inflammatory drugs (NSAIDs) have shown promising anticancer properties beyond their conventional anti-inflammatory function. Metal coordination to these NSAIDs has emerged as a viable option to enhance the pharmacological effect and efficacy of these therapeutics. This study reports the synthesis of novel iridium-coordinated NSAIDs complexes designed to improve biological activity through their iridium metal-mediated mechanisms. The focus is on complexes of the anthranilic acid derivative class of NSAIDs, which have received renewed interest as potential anticancer agents.

These Iridium - NSAID complexes were prepared by coordination of the non-steroidal anti-inflammatory drugs to iridium complex precursors under controlled reaction conditions. The resulting products were purified and characterized using spectroscopic and analytical techniques, including nuclear magnetic resonance (NMR), infrared spectroscopy (IR), and elemental analysis to confirm structural geometry and denticity of the compounds. Crystal Structures were also obtained. 

Ongoing work focuses on identifying successful cell lines followed by the evaluation of the cytotoxic effects of the NSAID- iridium complexes using standard in vitro assays. It is hypothesized that iridium coordination will increase the ROS of the cell and prevent prostaglandin production, which will cause an uptake in apoptosis within cancer cells.

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Quantitative Comparison of the Soil Chemical Characteristics of No-Till and Conventional-Till Agricultural Practices
Presenter: Connor Lee Knechtel
Faculty Sponsor: Justin Fermann
School: UMass Amherst
Research Area: Chemistry and Materials Science
Location: Poster Session 4, 2:15 PM - 3:00 PM: Campus Center Auditorium [A36]

In this study we seek to provide quantitative evidence of soil fertility benefits of employing no-till agricultural practices in place of standard conventional tilling. Through confirming practical methodologies that can be reproducible, we seek to validate simpler analytical methods in place of expensive or inaccessible soil testing. To do so we will collect various samples from the same geographical region and perform contract analysis and hands on laboratory techniques to quantify soil properties such as organic matter content, nutrient concentrations, and microbial biomass activity. We will present our findings in the form of a poster to demonstrate experimental practices and the differences between no-till and conventional till agricultural methods. This study is performed with the expectation that local farmers will have better access to soil chemical characteristics in relation to the farming practices they choose to employ. 

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Development of a Streamlined One-Pot Reaction Strategy for Phenoxathiin-Based Molecules in Prostate Cancer Research
Presenter: Ken Lei
Faculty Sponsor: Rachid Skouta
School: UMass Amherst
Research Area: Chemistry and Materials Science
Location: Poster Session 5, 3:15 PM - 4:00 PM: Room 165 [D10]

Prostate cancer (PC) remains a major health concern, particularly in metastatic stages where survival outcomes decline significantly. While patients with localized PC have approximately a 99% five-year survival rate, this decreases to about 30% when distant metastases are present. These disparities highlight the need for improved therapeutic strategies and more efficient synthetic approaches to support the development of novel small molecules for PC research. The efficiency of multistep synthetic routes often limits the rapid exploration of chemical scaffolds. This project focuses on optimizing a critical transformation in a multistep sequence through a one-pot, catalyzed strategy. Specifically, a 1,4-Michael addition followed by intramolecular cyclization is performed sequentially in a single reaction vessel, with the goal of improving reaction efficiency and operational simplicity. Various catalytic systems, including Lewis acids and bases, will be screened under controlled conditions to accelerate the transformation, while reaction progress will be monitored using thin-layer chromatography (TLC) and confirmed by NMR spectroscopy. By concentrating on reaction optimization and catalytic strategy, this work aims to establish a streamlined synthetic platform that can be applied broadly to phenoxathiin-based molecules. The resulting methodology will facilitate future analog synthesis and support downstream biological evaluation, while highlighting practical improvements in multistep reaction design relevant to prostate cancer–focused drug discovery.

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Development of an Efficient One-Pot Synthesis of Phenoxathiin-10,10-Dioxide Derivatives for Prostate Cancer Research
Presenter: Alice Bian Zou
Faculty Sponsor: Rachid Skouta
School: UMass Amherst
Research Area: Chemistry and Materials Science
Location: Poster Session 5, 3:15 PM - 4:00 PM: Room 165 [D12]

Prostate cancer remains a leading cause of cancer-related mortality in men, particularly when the disease progresses to aggressive, therapy-resistant stages. Small-molecule drug discovery benefits from the rapid synthesis and comparison of structurally related compounds to identify molecules with improved potency and selectivity. Phenoxathiin-10,10-dioxide derivatives represent a promising chemical scaffold that can be explored through systematic structural modification. However, current synthetic approaches require multiple isolated steps and repeated purifications, resulting in significant loss of time and material. This project aims to redesign the synthetic route to phenoxathiin-10,10-dioxide derivatives by developing a more efficient one-pot strategy. In this approach, key reaction steps will be performed sequentially in a single vessel using Lewis acid or base catalysis, eliminating the need to isolate intermediates. Reaction conditions will be optimized through systematic screening of catalyst combinations, temperature, and solvent systems. Reaction progress will be monitored using thin-layer chromatography, and products will be confirmed by NMR spectroscopy. The anticipated outcome is a streamlined synthetic workflow that reduces reaction time and material loss relative to the existing multi-step procedure. In addition, a focused library of approximately ten phenoxathiin-10,10-dioxide analogs will be generated to support future biological evaluation and assess their potential relevance for prostate cancer therapeutic research.

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