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2026

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Investigating The In Vitro Antimicrobial Potential And Comprehensive Computational Studies Of New Schiff Base Derivatives, Abrar Hussain, Shahzaib Akhter, Hammad Nasir, Khurram Shahzad, Muhammad Arfan, Sand Hyun Park Jan 2026

Investigating The In Vitro Antimicrobial Potential And Comprehensive Computational Studies Of New Schiff Base Derivatives, Abrar Hussain, Shahzaib Akhter, Hammad Nasir, Khurram Shahzad, Muhammad Arfan, Sand Hyun Park

Chemistry & Biochemistry Faculty Publications

Antimicrobial resistance (AMR) is a growing global health threat driven by multidrug-resistant bacteria (Staphylococcus aureus, Pseudomonas aeruginosa), and fungi (Candida albicans, and C. parapsilosis). This study evaluated six novel Schiff base derivatives (HSB-1 to HSB-6) through integrated in vitro antimicrobial activity and comprehensive computational studies. In vitro disk diffusion assay demonstrated the largest zones of inhibition against S. aureus for HSB-6 and HSB-1 (15–17 mm), activity against P. aeruginosa for HSB-5 and HSB-6 (12 mm), and moderate antifungal activity for HSB-4 (8–11 mm). Molecular docking results correlated with the in vitro findings with the binding energy ΔG = −12.3 kcal/mol …

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Expanded Scorpionate And Siderophore-Inspired Ligands: From Foundational Designs To Modern Applications, Austin Winfield Medley, Trandon Allen Bender Jan 2026

Expanded Scorpionate And Siderophore-Inspired Ligands: From Foundational Designs To Modern Applications, Austin Winfield Medley, Trandon Allen Bender

Chemistry & Biochemistry Faculty Publications

Scorpionate ligands have been advanced significantly through systematic modifications of their apical atoms and heterocyclic arms, expanding their structural diversity and chemical reactivity. Recent biologically inspired variants now enable accurate modeling of complex bioinorganic motifs, such as the Fe₄S₄ clusters of nitrogenase, and support enzyme‐like reactivity under mild aqueous conditions. These developments have broadened the impact of scorpionate chemistry across bioinorganic modeling, homogeneous catalysis, and biorthogonal transformations. In particular, expanded tripodal scaffolds provide modular, tunable platforms for mimicking enzyme active sites and probing biological nitrogen fixation pathways. Beyond fundamental insight, these ligands present practical opportunities for sustainable catalysis by enabling …

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Multidentate Surfactant-Dependent Synthesis Of Giant Iridium Superstructures, Ramjee Balasubramanian, Maeren E. Hill Jan 2026

Multidentate Surfactant-Dependent Synthesis Of Giant Iridium Superstructures, Ramjee Balasubramanian, Maeren E. Hill

Chemistry & Biochemistry Faculty Publications

Giant superstructures of iridium, comprised of smaller spherical and slightly larger anisotropic nanoparticles, were synthesized by reducing iridium chloride in the presence of resorcinarene, a class of tetrameric macrocyclic polyphenols, with sodium borohydride in ethanol in 30 min under mild conditions. These superstructures were characterized by a range of techniques including TEM, HRTEM, EDS and other spectroscopic methods. The impact of the macrocyclic surfactant, its features and reaction conditions in dictating the formation of giant iridium superstructures was evaluated. The packing density of nanoparticles in these giant iridium superstructures could be altered qualitatively by varying the duration of the reaction, …

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M-Type Star Spectral Analysis: Sco Line List Including The B²Σ⁺-X²Σ⁺ Band System, Léo Lavy, Jacques Liévin, Peter F. Bernath Jan 2026

M-Type Star Spectral Analysis: Sco Line List Including The B²Σ⁺-X²Σ⁺ Band System, Léo Lavy, Jacques Liévin, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

An analysis of the B²Σ+ − X²Σ+ band system of ⁴⁵Sc¹⁶O is presented. ScO was excited in a hollow cathode discharge, and its Doppler-limited resolution spectrum was measured with a Fourier transform spectrometer. The spectroscopic constants of the B²Σ+ state with v ≤ 3 are reported, and equilibrium constants are derived. Ab initio transition dipole moment functions are calculated for the A²Π − X²Σ+ and B²Σ+ − X²Σ+ transitions and scaled using lifetime measurements. We report new line lists of hyperfine-resolved transitions for ⁴⁵Sc¹⁶O with recalculated Einstein A coefficients and oscillator strengths of the …

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Evaluation Of Electroencephalography Processing Methods For Estimating Metabolic Energy Expenditure During Walking, Stephanie L. Pinelo Jan 2026

Evaluation Of Electroencephalography Processing Methods For Estimating Metabolic Energy Expenditure During Walking, Stephanie L. Pinelo

Graduate Studies Theses and Dissertations 2026

In this study, three EEG datasets, created via different levels of pre-processing, were used to train VO2 prediction models whose performance was tested and compared. Understanding the link between EEG and VO2 during walking is important when working in rehabilitation or studying metabolic energy optimization. Common methods of measuring these two bio-signals tend to be bulky, uncomfortable, and inefficient, so finding a way to predict VO2 from EEG via 1D CNN model training is a worthy pursuit.  It was hypothesized that, due to a CNN needing more data to find patterns for prediction, a minimally processed EEG dataset would have …

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An Updated Infrared Solar Spectrum From Ace-Fts And A Ch Rovibrational Line List, Manish Bhusal, Peter F. Bernath, Léo Lavy, Chris D. Boone, Frank Hase Jan 2026

An Updated Infrared Solar Spectrum From Ace-Fts And A Ch Rovibrational Line List, Manish Bhusal, Peter F. Bernath, Léo Lavy, Chris D. Boone, Frank Hase

Chemistry & Biochemistry Faculty Publications

An updated Atmospheric Chemistry Experiment Fourier Transform Spectrometer infrared solar spectrum has been produced from low-Earth orbit covering 1829-4440 cm-¹ (2.252-5.467 mu m). Spectroscopic constants for the v = 4 and v = 5 vibrational levels of the X²Π state of CH radical have been updated by incorporating additional vibration-rotation lines from the new solar spectrum and from an archival laboratory spectrum. New ab initio calculations of the permanent dipole moment function for the X²Π state were performed with the MOLPRO quantum chemistry package using the internally contracted multireference configuration interaction method. This dipole moment function, along with …

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Global Characterization Of Stratospheric Sulfate Aerosols By The Atmospheric Chemistry Experiment (Ace), Peter Bernath, Manish Bhusal, Michael Lecours, Chris Boone Jan 2026

Global Characterization Of Stratospheric Sulfate Aerosols By The Atmospheric Chemistry Experiment (Ace), Peter Bernath, Manish Bhusal, Michael Lecours, Chris Boone

Chemistry & Biochemistry Faculty Publications

Stratospheric sulfate aerosol (SSA) is an important part of the Earth's climate system. SSA climate impact is determined in part by particle composition, which has been measured from orbit. The weight percent of sulfuric acid in SSA has been determined from atmospheric infrared transmittance spectra recorded with the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) in limb geometry using the Sun as a light source (solar occultation). The global average SSA composition varies from about 50 to 80 percent with lowest values during the Antarctic winter. Atmospheric extinction at a wavelength of 1 μm was included in the analysis to …

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Carbamate-Functionalized N-Acetyl-D-Glucosamine Derivatives For Gel Formation And Chemiluminescent Properties Of Their Metallogels, Pooja Sharma, Pramod Aryal, Richard Chen, Alice Mao, Guijun Wang Jan 2026

Carbamate-Functionalized N-Acetyl-D-Glucosamine Derivatives For Gel Formation And Chemiluminescent Properties Of Their Metallogels, Pooja Sharma, Pramod Aryal, Richard Chen, Alice Mao, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Sugar-based low-molecular-weight gelators are an interesting and useful class of compounds due to their many applications. Several carbamate derivatives of D-glucose and D-glucosamine have been previously reported as effective gelators, demonstrating that the fine-tuning of molecular structures can have a profound influence on molecular assembling properties. In this study, a series of 12 3-O-carbamate derivatives of N-acetyl-D-glucosamine were synthesized in short steps with several derivatives found to be organogelators. The derivatives were screened in 11 different solvents for their gelation properties. Among the series of synthesized compounds, ten derivatives showed gelation in at least one of …

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The Thing About Stuff: Exploring Consumerism Through Contemporary Print, Collage And Self-Reflection, Alexandra Lee Cox Jan 2026

The Thing About Stuff: Exploring Consumerism Through Contemporary Print, Collage And Self-Reflection, Alexandra Lee Cox

Theses and Dissertations

The Thing about Stuff is an exhibition of editioned prints and book forms that pertain to personal and societal contradictions under capitalism. I use a combination of collage, design, print, traditional research and writing to form a better understanding of my place in capitalism by redefining my participation in it. Historical and contemporary research in combination with self-reflection and artmaking assists in my exploration of consumerism through the lens of human-object relationships. This body of work translates my own material desire for an audience through intentional composition, limited color pallets and intentional display. The accompanying supportive statement focuses on the …

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Defect-Guided And Energy-Driven Unfolding With Learning-Based Strategies: From Geometries With Compact Refolding To Garments, Shah Wasif Sazzad Jan 2026

Defect-Guided And Energy-Driven Unfolding With Learning-Based Strategies: From Geometries With Compact Refolding To Garments, Shah Wasif Sazzad

Graduate Studies Theses and Dissertations 2026

Unfolding and folding are related geometric and mechanical transformations fundamental to structural applications. Particularly, unfolding curved surfaces is important for deployable structures, garment pattern generation, etc. A central challenge is minimizing geometric distortion between a surface and its unfolded counterpart avoiding overlaps. As regions of lower Gaussian curvature typically produce less distortion during flattening, identifying curvature distribution becomes essential. Topological defects in a particle assembly on a surface in its minimum interaction-energy configuration indicate regions of concentrated curvature. In this work, an unfolding method is proposed that segments the surface using defects' location. Cutlines connecting the defects isolate lower curvature …

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Crafting The Right To Vote, Breana M. Mosher Jan 2026

Crafting The Right To Vote, Breana M. Mosher

The Knowledge and Creativity Expo

This paper examines how British Suffragists between the late nineteenth and early twentieth centuries used traditionally feminine domestic crafts as tools of political protest and communication. Excluded from formal political speech and subjected to censorship, violence, and imprisonment, women in the suffrage movement transformed textiles such as banners, posters, embroidery, and postcards into powerful tools of visual propaganda. Through close evaluation of suffrage-era material culture, this paper argues that domestic crafts enabled women to reclaim their voices and publicly expose state violence and political repression. By employing symbolism, color, and slogan-based design, suffragists created a recognizable visual identity that countered …

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