Chemistry Commons^™

To Bee Or Not To Bee: Investigating Pesticide Behavior Inside And Outside Semi-Field Cages, Mallory Bingham

Student Research Symposium

Background

Pesticides are vital in preventing crop damage from pests but are cited as a key factor in decreasing bee populations.¹ The alfalfa leaf cutting bee is essential in alfalfa seed production in the Western US.² Current research seeks to examine the effects of pesticides on these solitary bees to maintain healthy populations while controlling pests.³

One research tool commonly used to examine pesticide effects on bees is field-cages. Field cages are thought to simulate agroecosystem conditions while restricting bees to plots that have been sprayed with pesticides.^1,4

However, environmental conditions can be different inside and …

Expressing And Purifying Homologs Of Crispr Systems, Gabe Parrish

Student Research Symposium

CRISPR (Clustered Regularly Interspaced Palindromic Repeat)-Cas (CRISPR- associated) is a protein-nucleic acid adaptive immune system in Bacterial and Archaeal organisms that defends against invading foreign genetic material.

Solving The Structure Of An Ancestral Protein Tyrosine Phosphatase, Natalie Turcsanski, Edna Armah

Student Research Symposium

Protein tyrosine phosphatases (PTPs) regulate cell signaling by removing phosphate groups from tyrosine residues. Malfunction of these enzymes can lead to diseases such as diabetes and cancer. A conserved feature among PTPs is the catalytic acid loop, essential for phosphate removal. Computational analysis of PTP structures revealed that ancestral PTPs have considerable variation in conformations of this loop, sparking interest in their further study. The Asgard group, identified as ancestral to eukaryotic PTPs, was successfully expressed and purified under optimized conditions. Current efforts focus on optimizing crystallization to obtain larger crystals for structural analysis. This project will investigate the allosteric …

Determining The Function Of Type Iv-B Crispr-Cas Systems, Eric Jenkins, Brendon Guinn

Student Research Symposium

CRISPR-Cas systems are a diverse group of prokaryotic adaptive immune systems that defend against Mobile Genetic Elements (MGEs) such as bacteriophages and plasmids. CRISPR-associated (Cas) proteins bind to guide RNAs (crRNAs) transcribed from a DNA repeat array (CRISPR array) containing spacers complementary to MGEs. Upon infection by a MGE, the Cas protein-crRNA complex binds to the target sequence in the invaders genome and cleaves the nucleic acid.

Sensitive Fluorescence Quantitation And Efficient Free Radical Characterization Of N‑Glycans Via Lc-Flr-Hrms/Ms With A Novel Fluorescent Free Radical Tag, Rayan Murtada, C. J. Szafranski, Maria Tevletidis, Shane Finn, Wilthon Gilles, Tabia Tahsin, Jinshan Gao

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Glycans are some of the most difficult biomolecules to analyze owing to their branching tendencies as well as their regiochemical and stereochemical diversity. Yet, the correlation between various pathological states and glycan quantity or structural alterations has demonstrated the importance and urgency for the development of a more robust glycan analytical technique. Furthermore, the manufacturing and regulation of biopharmaceuticals demands a feasible and improved analytical approach toward the characterization and quantitation of glycosylations. Unfortunately, multiple commercially available glycan tags lack, in combination, liquid chromatography detection sensitivity, chemical stability and, most importantly, optimal glycan characterization capabilities. Therefore, a novel fluorescent tag …

Detection Of Co2 Locally Generated By Formate Dehydrogenase Using Carbonate Ion-Selective Micropipette Electrodes, Seol Baek, Salvador Gutierrez-Portocarrero, Rokas Gerulskis, Shelley D. Minteer, Sean R. German, Henry S. White

Chemistry Faculty Research & Creative Works

Many technologies involve immobilizing catalysts such as enzymes on surfaces, and the catalytic activities or functional efficiencies of these surface-bound catalysts can vary depending on orientations, localized binding sites, active sites, and intrinsic molecular nature. Accurate and rapid quantification of reaction products from surface-immobilized catalysts is crucial for understanding the selectivity, mechanisms, and reaction dynamics of catalytic systems and for revealing heterogeneous catalytic activities and reaction sites for applications such as biosensors and energy conversion/generation systems. Here, we demonstrate the feasibility of localized enzymatic activity measurements using microscale carbon dioxide (CO₂)-sensitive ion-selective electrode (ISE) pipettes (0.5-2.5 μm tip …

Predicting PkA Of Flexible Polybasic Tetra-Aza Macrocycles, Tatum K. Harvey, Kristof Pota, Magy Mekhail, David M. Freire, Donatus A. Agbaglo, Benjamin G. Janesko, Kayla N. Green

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We present physics-based pK_a predictions for a library of tetra-aza macrocycles. These flexible, polybasic molecules exhibit highly charged states and substantial prototropic tautomerism, presenting a challenge for pK_a prediction. Our computational protocol combines CREST/xTB conformational sampling, density functional theory (DFT) refinement in continuum solvent, and a linear empirical correction (LEC). This approach predicts known tetra-aza macrocycle pK_a to within a root-mean-square deviation 1.2 log units. This approach also provides reasonable predictions for the most stable protomers at different pH. We use this protocol to predict pK_a values for four novel, synthetically achievable, …

Living With Alzheimer’S: A Guide To How To Lower The Risk Of Memory Loss & Care For Those With Alzheimer’S, Mona Muzammil, Washain Muzammil

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

Despite the frequent characterization of Alzheimer's disease as a “loss of self,"" this enlightening book demonstrates unequivocally that a person's unique self persists throughout the course of the disease. The important message in Caring for People with Alzheimer’s is how much can be done in care settings to support a person's sense of identity and thereby enrich the lives of people experiencing the many losses associated with dementia. Drawing from a diverse body of research, this book brings together the recommendations of the best thinkers and practitioners in multiple disciplines to illustrate the meaning of self and the importance of …

Seasonal Effects Of Plant Functional Groups On Molecular Biogeochemistry Of Dissolved Organic Matter In Porewater Of A Poor Fen, Zhimin Song, Maryam Khaksari, Erik A. Lilleskov, Evan Kane, Paul V. Doskey

Michigan Tech Publications

Climate change may transform peatlands from net carbon (C) sinks to C sources, which could result in a positive feedback to global warming. Warmer temperatures might lower water tables, increase the abundance of shrubs, slow Sphagnum and sedge growth and further accelerate the decomposition of dissolved organic matter (DOM) with a concomitant release of C from the surface. Studies in which vascular plant functional groups (PFGs) in peatlands have been manipulated to mimic the potential effects of a warming climate on DOM are scarce. In the subject study, seasonal effects of PFGs on the molecular composition of DOM of peat …

Highly Regenerable Magnetic Sulfonated Chitosan Crosslinked With Glutaraldehyde Composite Beads (Iron Sand/Naso3-Chi-G) For Aqueous Mercury Removal, Fathurrahmi Fathurrahmi, Rahmi Rahmi, Lelifajri Lelifajri, Anggun Sixthia Wulan Ayu, Muhammad Iqhrammullah

Karbala International Journal of Modern Science

We developed a novel adsorbent from sulfonated, glutaraldehyde-crosslinked chitosan embedded with magnetic iron sand. The adsorbent was synthesized through a two-step process: (1) sulfonation with N(SO₃Na)₃ to introduce sulfonate groups, and (2) crosslinking with glutaraldehyde to enhance structural stability. The optimal formulation, containing 43.5% iron sand and crosslinked with 0.17 M glutaraldehyde, exhibited the highest Hg²⁺ adsorption capacity (30.74 mg/g) at pH 3. The adsorbents were characterized using Scanning Electron Microscopy (SEM), Fourier transform infra-red spectroscopic (FT-IR), and X-ray diffraction (XRD) techniques. Adsorption equilibrium was achieved within 60 minutes, and isotherm modeling showed that the process followed the Freundlich model …

Antioxidant Activity Of Pamam Dendrimer Stabilized Ascorbic Acid, Gabriella Srikureja

Honors Theses

Ascorbic acid (vitamin C) is an essential micronutrient for human health. It acts as an enzymatic cofactor in anabolic biochemical pathways such as the synthesis of collagen, dopamine, and norepinephrine. Unfortunately, this versatility comes at the cost of a high degradation rate both in and outside of the food matrix. Previous research exploring stabilizing aqueous ascorbic acid through Poly(amidoamine) (PAMAM) dendrimers found success in reducing the rate of degradation.

To confirm the antioxidant activity of ascorbic acid in its stabilized dendrimer complex, 2,2-Diphenyl-1-picrylhydrazyl (DPPH) assays examined via Cary 5000 UV-Vis-NIR spectrophotometer found that performing the DPPH assay under aqueous conditions …

Transition Metal Nanocomposites: Nonenzymatic Biosensor For Neurochemical Detection, Amitav Sen, Ace Cannon, Manashi Nath

Miners Solving for Tomorrow Research Conference

No abstract provided.

Additive Manufacturing Of Thermoplastic Composites, Matik Heskin, K. Chandrashekhara, Richard Billo, Ming-Chuan Leu, Thomas P. Schuman

Miners Solving for Tomorrow Research Conference

No abstract provided.

Polymerization Methods For Vinyl Phosphonate Monomers: Challenges And Perspectives, Sara Mccauley

Miners Solving for Tomorrow Research Conference

No abstract provided.

An Open-Framework Iron-Selenite As Cathode For Li- Ion Batteries, Sutapa Bhattacharya, Aleksandr V. Chernatynskiy, Amitava Choudhury

Miners Solving for Tomorrow Research Conference

No abstract provided.

Maldi-Mass Spectrometry Imaging To Investigate Distribution Of Per- And Polyfluoroalkyl Substances In Exposed Poplar Tissues, Tonglin Zhou, Varuni Abhayarayne, Joseph Akor, Honglan Shi, Paul Ki-Souk Nam, Joel Gerard Burken, John Yang

Miners Solving for Tomorrow Research Conference

No abstract provided.

Preliminary Assessment Of Non-Volatile Particulate Matter And Gaseous Emissions From A Premixed Pre-Vaporized Combustor Designed For Civil Supersonic Transport, Ugochukwu Ewuzie, Godwin Ifeanyi Ogbuehi, Steven Achterberg, Monday Uchenna Okoronkwo, Philip D. Whitefield

Miners Solving for Tomorrow Research Conference

No abstract provided.

The Effect Of Nanomorphology As Quantified Via The K‑Index On The Drug Delivery Properties Of Isocyanate-Derived Aerogels, Stephen Y. Owusu, A. B. M. Shaheen Ud Doulah, Vaibhav A. Edlabadkar, Kamden J. George, Chariklia Sotiriou-Leventis

Miners Solving for Tomorrow Research Conference

No abstract provided.

Heteroleptic Self-Assembly Of Platinum Metallocycles Based On Naphthalene-Diimide And Aromatic Dicarboxylate, Erendra Manandhar

Presentations - 2025

A core-substituted naphthalene-diimide, functionalized with pyridinyl phenyl and octyl groups, was synthesized via Suzuki coupling and self-assembled with Pt(II) and Pd(II) phosphane triflates. The resulting triangular metallocycle structures were characterized by various methods, showing solvent-dependent UV-Vis absorption and fluorescence, and self-assembled into nanostructures.

Exploring 7-Bbh As An Alternative To 9-Bbn, Katelyn P. Griffin

ASPIRE 2025

9-BBN is an important compound in the synthesis of terminal alcohols by providing high regioselectivity for the anti-Markovnikov position. It is also used as a reducing agent for ketones and aldehydes and various alkyl ligation reactions. The processes involved in its synthesis and 9-BBN’s relative low solubility in most solvents renders it expensive and difficult to transport. We have made 2-isopropyl-5-methyl-7-borabicyclo[2.2.1]heptane (7-BBH) from relatively inexpensive precursor γ-terpinene and borane dimethyl sulfide complex. Characterization data and preliminary results from the use of 7-BBH for hydroboration and reduction will be discussed.

Application Of Analytical Methodologies To The Analysis Of Food Flavoring Agents: Part Ii, James Daniel, Kexin Li, Anaaya Monroe, Melissa C. Rhoten

Spring Showcase for Research and Creative Inquiry

No abstract provided.

Application Of Analytical Methodologies To The Analysis Of Food Flavoring Agents: Part Iii, Samantha Ruano, Bryant Corbin, Moorea Whitfield, Melissa C. Rhoten

Spring Showcase for Research and Creative Inquiry

No abstract provided.

Application Of Analytical Methodologies To The Analysis Of Food Flavoring Agents: Part Iv, Tyler Witt, Anna Wallace, Melissa C. Rhoten

Spring Showcase for Research and Creative Inquiry

No abstract provided.

Advanced Mathematical And Computational Methods In Quantum Chemistry, Chao Yin

Chemistry Theses and Dissertations

Wave-function based ab initio calculation methods have been gaining significant atten- tion from chemists due to their ability to provide insights into experimental results. However, their application to large systems is limited by the considerable computational cost involved, especially when dealing with high-dimensional tensors inherent to these calculations. To address these challenges, two primary strategies have been explored in this study. First, advancements in hardware architecture and algorithmic development. Graphics Processing Units (GPUs) have facilitated parallel computation, leading to a significant acceleration of these calculations. In this work, we propose a method for evaluating two-electron repulsion integrals (ERIs)—a key component …

Chalmers Library Research Award Winner 1 2025, Tasnim Islam Orco

Chalmers Library Research Award

No abstract provided.

Reply To Bratchenko And Bratchenko, “Overestimation Of The Classification Model For Raman Spectroscopy Data Of Biological Samples”, Xin Ru Wen, Jia-Wei Tang, Liang Wang

Research outputs 2022 to 2026

No abstract provided.

Kinetic Control And Trapping In The Supramolecular Polymerization Of M-Terphenyl Bis-Urea Macrocycles, Sophya V. Garashchuk, Gamage Isuri P. Wijesekera, Isabella G. Rushton, Vaibhavi A. Samant, Fahidat A. Gbadamosi, Dr. Md Faizul Islam, Sophya V. Garashchuk, Prof. Dr. Linda S. Shimizu

Faculty Publications

Herein, we examine pathway complexity in the supramolecular polymerization of a novel m-terphenyl bis-urea macrocycle. Designed to induce kinetically metastable states, the macrocycle‘s concentration-dependent aggregation was studied via 1H NMR and IR spectroscopy in THF and CHCl₃. Temperature-dependent UV-Vis spectroscopy in water/THF revealed a cooperative nucleation-growth mechanism, indicated by a shift in λmax to longer wavelengths upon cooling. Morphological studies using DLS, AFM, and SEM demonstrated fibrous aggregate formation. Thermal hysteresis observed in assembly-disassembly cycles indicated kinetically trapped species, with cooling governed by kinetic control and heating by thermodynamic processes. Deviations in ΔH values during cooling, compared to van′t …

Discovery And Synthesis Of Novel, Porous Organic Cages Via Dynamic Imine Chemistry In Continuous Flow, Anzhi (Andy) Chen , '25

Senior Theses, Projects, and Awards

In recent years, Porous Organic Cages (POCs) have gained widespread research interest owing to the well-defined porosity and solution dispersity, which have given rise to various applications, such as molecular encapsulation and catalysis. A common synthetic strategy for POCs, Dynamic Covalent Chemistry (DCvC) exploits the reversibility of certain covalent reactions and allows for facile discovery and synthesis of well-defined macromolecules through error-correction mechanisms. Thermodynamic effects of DCvC systems have been widely studied via structure-focused strategies along with empirical methods. More recently, researchers have begun to incorporate kinetic factors in DCvC systems to discover and synthesise new macromolecular structures. However, thermodynamic …

Click-Based Synthesis Of Hemibastadin Derivatives And Their Applications As Antimicrobial And Biofilm Inhibiting Agents, James B. Daniel Iii

Longwood Senior Thesis Proposal

Antimicrobial agents are one of the most important tools used in the medical industry. With the ever growing numbers of antibiotic resistant bacteria, new strategies have been developed to combat them, one of which being biofilm inhibiting agents. A class of molecules called hemibastadins, first discovered from sea sponges, have been of recent interest in the field. Building from previous work done in this lab on hemibastadins, a hemibastadin derivative containing a triazole in place of the oxime has been identified as a potential antibiofilm agent. This work will target a derivative that will more closely mimic the hemibastadins found …

Utilizing Drainage Induced Pfas Enrichment In Cascade Generated Foam For Efficient Removal At Wastewater Treatment Plants, Ethan Samuel Coffin

Dissertations

Observed trends in municipal solid waste landfills reveal a distinct disparity between per- and polyfluorinated alkyl substances (PFAS) composition entering in waste, mostly as diPAP and FTOH, and leaching out as FTCA and PFCA. These patterns are elucidated by compiling PFAS compositions in paper, textiles, and carpet, with known precursor transformations that generate FTCA and PFCA in leachate. Landfill leachate is commonly discharged to wastewater treatment plants (WWTP), which are ineffective at degrading PFAS and only serve as key conduits and discharge points for PFAS to the environment. Foam fractionation has been identified as a promising technology for concentrating and …